*HEADER    TRANSFERASE                             24-OCT-01   1K8O              
*TITLE     SOLUTION STRUCTURE OF THE LIPOIC ACID-BEARING DOMAIN OF THE           
*TITLE    2 E2 COMPONENT OF HUMAN, MITOCHONDRIAL BRANCHED-CHAIN ALPHA-           
*TITLE    3 KETOACID DEHYDROGENASE                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: E2 COMPONENT OF BRANCHED-CHAIN AHPHA-KETOACID              
*COMPND   3 DEHYDROGENASE;                                                       
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: LIPOIC ACID-BEARING DOMAIN;                                
*COMPND   6 SYNONYM: DIHYDROLIPOAMIDE BRANCHED CHAIN TRANSACYLASE;               
*COMPND   7 EC: 2.3.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET28B                                    
*KEYWDS    LIPOYL ACID BEARING, HUMAN BCKD, EXPERIMENTAL NMR DATA                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    C.-F.CHANG, H.-T.CHOU, J.L.CHUANG, D.T.CHUANG, T.-H.HUANG             
*REVDAT   1   14-NOV-01 1K8O    0                                                

!NOE constraints from ARIA

 ASSI {11856}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.300     1.300     1.300 peak 11856 weight  0.10000E+01 volume  0.11491E-02 ppm1      8.676 ppm2      4.548 CV     1
 ASSI { 1618}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak  1618 weight  0.10000E+01 volume  0.80616E-03 ppm1      8.676 ppm2      1.899 CV     1
 ASSI { 1920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
      3.900     1.900     1.900 peak  1920 weight  0.10000E+01 volume  0.53677E-03 ppm1      8.671 ppm2      0.845 CV     1
 OR { 1920}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
 ASSI { 1217}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.100     0.600     0.600 peak  1217 weight  0.10000E+01 volume  0.11620E-01 ppm1      9.136 ppm2      4.431 CV     1
 ASSI { 1917}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.800     1.800     1.800 peak  1917 weight  0.10000E+01 volume  0.96726E-03 ppm1      9.136 ppm2      0.845 CV     1
 OR { 1917}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
 ASSI { 1273}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak  1273 weight  0.10000E+01 volume  0.17857E-02 ppm1      9.136 ppm2      4.243 CV     1
 ASSI { 1675}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.100     1.200     1.200 peak  1675 weight  0.10000E+01 volume  0.28672E-02 ppm1      9.136 ppm2      1.712 CV     1
 ASSI {  819}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      4.600     2.600     1.400 peak   819 weight  0.10000E+01 volume  0.50722E-03 ppm1      9.146 ppm2      5.884 CV     1
 ASSI { 1765}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.700     1.700     1.700 peak  1765 weight  0.10000E+01 volume  0.57121E-03 ppm1      9.136 ppm2      1.337 CV     1
 ASSI { 5077}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.800     1.000     1.000 peak  5077 weight  0.10000E+01 volume  0.22805E-02 ppm1      9.151 ppm2      9.212 CV     1
 ASSI {  950}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   950 weight  0.10000E+01 volume  0.16009E-02 ppm1      9.141 ppm2      4.852 CV     1
 ASSI {  235}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.700     1.700     1.700 peak   235 weight  0.10000E+01 volume  0.96491E-03 ppm1      9.136 ppm2      8.860 CV     1
 ASSI { 1915}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.700     1.700     1.700 peak  1915 weight  0.10000E+01 volume  0.11434E-02 ppm1      8.383 ppm2      0.868 CV     1
 OR { 1915}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 4    and name HG1%)
 ASSI { 1270}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.600     0.600 peak  1270 weight  0.10000E+01 volume  0.14014E-01 ppm1      8.378 ppm2      4.243 CV     1
 ASSI { 1679}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.600     1.600     1.600 peak  1679 weight  0.10000E+01 volume  0.17180E-02 ppm1      8.378 ppm2      1.712 CV     1
 ASSI { 2039}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.100     2.100     1.900 peak  2039 weight  0.10000E+01 volume  0.14624E-02 ppm1      8.378 ppm2      0.517 CV     1
 ASSI { 2065}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.800     1.800     1.800 peak  2065 weight  0.10000E+01 volume  0.10969E-02 ppm1      8.378 ppm2      0.423 CV     1
 ASSI {  915}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     1.000     1.000 peak   915 weight  0.10000E+01 volume  0.22650E-02 ppm1      8.378 ppm2      4.946 CV     1
 ASSI { 1744}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.400     1.400 peak  1744 weight  0.10000E+01 volume  0.19792E-02 ppm1      8.383 ppm2      1.431 CV     1
 ASSI { 1737}
   (( segid "    " and resid 6    and name HE22))
   (( segid "    " and resid 6    and name HB1 ))
      4.300     2.400     1.700 peak  1737 weight  0.10000E+01 volume  0.12171E-02 ppm1      6.755 ppm2      1.477 CV     1
 ASSI { 1577}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak  1577 weight  0.10000E+01 volume  0.38189E-02 ppm1      8.383 ppm2      2.110 CV     1
 ASSI { 1541}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG1 ))
      3.100     1.200     1.200 peak  1541 weight  0.10000E+01 volume  0.18293E-02 ppm1      7.752 ppm2      2.415 CV     1
 OR { 1541}
   (( segid "    " and resid 6    and name HE21))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI { 1538}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.300     1.300     1.300 peak  1538 weight  0.10000E+01 volume  0.16611E-02 ppm1      8.383 ppm2      2.415 CV     1
 OR { 1538}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  918}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.000     0.500     0.500 peak   918 weight  0.10000E+01 volume  0.11725E-01 ppm1      9.043 ppm2      4.946 CV     1
 ASSI { 1749}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      3.200     1.300     1.300 peak  1749 weight  0.10000E+01 volume  0.11180E-02 ppm1      9.038 ppm2      1.431 CV     1
 ASSI { 1578}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.400     2.400     1.600 peak  1578 weight  0.10000E+01 volume  0.45362E-03 ppm1      9.048 ppm2      2.110 CV     1
 ASSI {  603}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HE21))
      4.700     2.700     1.300 peak   603 weight  0.10000E+01 volume  0.37973E-03 ppm1      9.038 ppm2      7.735 CV     1
 ASSI { 1548}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      4.300     2.300     1.700 peak  1548 weight  0.10000E+01 volume  0.63579E-03 ppm1      9.043 ppm2      2.392 CV     1
 OR { 1548}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  895}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak   895 weight  0.10000E+01 volume  0.16702E-02 ppm1      9.043 ppm2      5.040 CV     1
 ASSI { 1400}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.400     0.700     0.700 peak  1400 weight  0.10000E+01 volume  0.47359E-02 ppm1      9.043 ppm2      3.493 CV     1
 OR { 1400}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  687}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HE% )
      4.900     3.000     1.100 peak   687 weight  0.10000E+01 volume  0.69025E-03 ppm1      9.043 ppm2      7.360 CV     1
 ASSI { 1847}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      3.100     1.200     1.200 peak  1847 weight  0.10000E+01 volume  0.10471E-02 ppm1      9.043 ppm2      1.056 CV     1
 ASSI { 1782}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      5.200     3.300     0.800 peak  1782 weight  0.10000E+01 volume  0.38658E-03 ppm1      9.038 ppm2      1.290 CV     1
 ASSI {  641}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.000     1.100     1.100 peak   641 weight  0.10000E+01 volume  0.14235E-02 ppm1      9.043 ppm2      7.595 CV     1
 ASSI {  821}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.500     1.500     1.500 peak   821 weight  0.10000E+01 volume  0.20278E-02 ppm1      9.043 ppm2      5.884 CV     1
 ASSI { 2038}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.700     1.700     1.700 peak  2038 weight  0.10000E+01 volume  0.66402E-03 ppm1      9.043 ppm2      0.517 CV     1
 ASSI {  897}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   897 weight  0.10000E+01 volume  0.12937E-02 ppm1      8.652 ppm2      5.017 CV     1
 ASSI { 1286}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.700     1.700     1.700 peak  1286 weight  0.10000E+01 volume  0.42862E-03 ppm1      8.657 ppm2      4.196 CV     1
 ASSI { 1736}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.500     1.500     1.500 peak  1736 weight  0.10000E+01 volume  0.66064E-03 ppm1      8.652 ppm2      1.477 CV     1
 OR { 1736}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1284}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.100     0.600     0.600 peak  1284 weight  0.10000E+01 volume  0.91286E-02 ppm1      7.366 ppm2      4.196 CV     1
 ASSI { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.300     1.400     1.400 peak  1837 weight  0.10000E+01 volume  0.30519E-02 ppm1      7.366 ppm2      1.102 CV     1
 OR { 1837}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI { 1601}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak  1601 weight  0.10000E+01 volume  0.58003E-02 ppm1      7.366 ppm2      1.970 CV     1
 OR { 1601}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1947}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      4.100     2.100     1.900 peak  1947 weight  0.10000E+01 volume  0.12554E-02 ppm1      7.366 ppm2      0.798 CV     1
 ASSI { 1699}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG  ))
      4.400     2.400     1.600 peak  1699 weight  0.10000E+01 volume  0.11335E-02 ppm1      7.366 ppm2      1.618 CV     1
 ASSI { 1365}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      3.900     1.900     1.900 peak  1365 weight  0.10000E+01 volume  0.18249E-02 ppm1      7.366 ppm2      3.727 CV     1
 ASSI { 1304}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak  1304 weight  0.10000E+01 volume  0.31496E-02 ppm1      8.466 ppm2      4.126 CV     1
 ASSI { 1935}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      3.200     1.300     1.300 peak  1935 weight  0.10000E+01 volume  0.20623E-02 ppm1      8.466 ppm2      0.798 CV     1
 ASSI { 1631}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB  ))
      3.000     1.100     1.100 peak  1631 weight  0.10000E+01 volume  0.24743E-02 ppm1      8.148 ppm2      1.852 CV     1
 ASSI { 1866}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG11))
      2.800     1.000     1.000 peak  1866 weight  0.10000E+01 volume  0.33773E-02 ppm1      8.143 ppm2      1.009 CV     1
 OR { 1866}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG12))
 ASSI { 1962}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HG2%)
      3.600     1.600     1.600 peak  1962 weight  0.10000E+01 volume  0.16736E-02 ppm1      8.148 ppm2      0.727 CV     1
 ASSI {  525}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   525 weight  0.10000E+01 volume  0.17232E-02 ppm1      7.997 ppm2      8.134 CV     1
 ASSI { 1355}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA1 ))
      3.200     1.300     1.300 peak  1355 weight  0.10000E+01 volume  0.15537E-02 ppm1      7.997 ppm2      3.751 CV     1
 OR { 1355}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA2 ))
 ASSI { 1320}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA1 ))
      2.800     1.000     1.000 peak  1320 weight  0.10000E+01 volume  0.41048E-02 ppm1      7.410 ppm2      4.056 CV     1
 OR { 1320}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA2 ))
 ASSI { 1660}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB  ))
      2.800     1.000     1.000 peak  1660 weight  0.10000E+01 volume  0.83329E-02 ppm1      7.410 ppm2      1.759 CV     1
 ASSI { 1964}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 16   and name HD1%)
      3.400     1.400     1.400 peak  1964 weight  0.10000E+01 volume  0.26066E-02 ppm1      7.405 ppm2      0.727 CV     1
 ASSI { 1773}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG11))
      2.900     1.000     1.000 peak  1773 weight  0.10000E+01 volume  0.35321E-02 ppm1      7.410 ppm2      1.313 CV     1
 OR { 1773}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG12))
 ASSI {  901}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   901 weight  0.10000E+01 volume  0.34201E-02 ppm1      7.737 ppm2      4.993 CV     1
 ASSI { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak  1641 weight  0.10000E+01 volume  0.23381E-02 ppm1      7.737 ppm2      1.829 CV     1
 OR { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI { 1585}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG1 ))
      3.200     1.200     1.200 peak  1585 weight  0.10000E+01 volume  0.18412E-02 ppm1      7.737 ppm2      2.040 CV     1
 OR { 1585}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI { 1684}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak  1684 weight  0.10000E+01 volume  0.11300E-02 ppm1      8.334 ppm2      1.688 CV     1
 OR { 1684}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI {  999}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.000     1.100     1.100 peak   999 weight  0.10000E+01 volume  0.19725E-02 ppm1      8.329 ppm2      4.688 CV     1
 ASSI { 1638}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.100     1.200     1.200 peak  1638 weight  0.10000E+01 volume  0.15749E-02 ppm1      8.329 ppm2      1.829 CV     1
 ASSI { 2071}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      2.400     0.700     0.700 peak  2071 weight  0.10000E+01 volume  0.66364E-02 ppm1      8.334 ppm2      0.306 CV     1
 ASSI { 2030}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.900     1.900     1.900 peak  2030 weight  0.10000E+01 volume  0.14456E-02 ppm1      8.329 ppm2      0.563 CV     1
 ASSI { 1001}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.600     0.600 peak  1001 weight  0.10000E+01 volume  0.10070E-01 ppm1      8.486 ppm2      4.688 CV     1
 ASSI { 2075}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.500     1.500     1.500 peak  2075 weight  0.10000E+01 volume  0.22540E-02 ppm1      8.486 ppm2      0.306 CV     1
 ASSI { 2029}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.900     1.000     1.000 peak  2029 weight  0.10000E+01 volume  0.25332E-02 ppm1      8.490 ppm2      0.563 CV     1
 ASSI {  960}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.700     0.900     0.900 peak   960 weight  0.10000E+01 volume  0.36587E-02 ppm1      8.490 ppm2      4.806 CV     1
 ASSI { 1360}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.500     0.800     0.800 peak  1360 weight  0.10000E+01 volume  0.61962E-02 ppm1      8.486 ppm2      3.727 CV     1
 ASSI { 1889}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      4.100     2.100     1.900 peak  1889 weight  0.10000E+01 volume  0.11342E-02 ppm1      8.490 ppm2      0.915 CV     1
 ASSI { 1674}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      3.300     1.400     1.400 peak  1674 weight  0.10000E+01 volume  0.24545E-02 ppm1      8.486 ppm2      1.712 CV     1
 ASSI {  954}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.100     0.500     0.500 peak   954 weight  0.10000E+01 volume  0.17468E-01 ppm1      8.495 ppm2      4.829 CV     1
 ASSI { 1372}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.200     1.300     1.300 peak  1372 weight  0.10000E+01 volume  0.14855E-02 ppm1      8.500 ppm2      3.704 CV     1
 ASSI { 1895}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.400     0.700     0.700 peak  1895 weight  0.10000E+01 volume  0.45433E-02 ppm1      8.495 ppm2      0.915 CV     1
 ASSI { 1407}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak  1407 weight  0.10000E+01 volume  0.24901E-02 ppm1      8.495 ppm2      3.470 CV     1
 ASSI { 2117}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.300     1.300     1.300 peak  2117 weight  0.10000E+01 volume  0.14415E-02 ppm1      8.495 ppm2     -0.093 CV     1
 ASSI { 2084}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      2.300     0.700     0.700 peak  2084 weight  0.10000E+01 volume  0.84126E-02 ppm1      8.495 ppm2      0.282 CV     1
 ASSI {  212}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   212 weight  0.10000E+01 volume  0.88839E-03 ppm1      8.500 ppm2      9.001 CV     1
 ASSI {  625}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      4.200     2.300     1.800 peak   625 weight  0.10000E+01 volume  0.71037E-03 ppm1      8.495 ppm2      7.642 CV     1
 ASSI { 1259}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.900     1.900     1.900 peak  1259 weight  0.10000E+01 volume  0.13666E-02 ppm1      8.500 ppm2      4.290 CV     1
 ASSI { 1401}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak  1401 weight  0.10000E+01 volume  0.67323E-02 ppm1      8.437 ppm2      3.470 CV     1
 ASSI { 2110}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.600     1.600     1.600 peak  2110 weight  0.10000E+01 volume  0.13245E-02 ppm1      8.432 ppm2     -0.069 CV     1
 ASSI { 2081}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG1%)
      4.200     2.200     1.800 peak  2081 weight  0.10000E+01 volume  0.61442E-03 ppm1      8.437 ppm2      0.282 CV     1
 ASSI {  373}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   373 weight  0.10000E+01 volume  0.14535E-02 ppm1      8.432 ppm2      8.509 CV     1
 ASSI { 1243}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1243 weight  0.10000E+01 volume  0.15384E-02 ppm1      8.437 ppm2      4.360 CV     1
 ASSI { 1701}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.500     1.500     1.500 peak  1701 weight  0.10000E+01 volume  0.14001E-02 ppm1      8.437 ppm2      1.595 CV     1
 ASSI { 1764}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.500     0.800     0.800 peak  1764 weight  0.10000E+01 volume  0.29252E-02 ppm1      8.437 ppm2      1.360 CV     1
 ASSI { 1279}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      4.900     3.000     1.100 peak  1279 weight  0.10000E+01 volume  0.36730E-03 ppm1      8.427 ppm2      4.220 CV     1
 ASSI { 1799}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.200     2.200     1.800 peak  1799 weight  0.10000E+01 volume  0.99547E-03 ppm1      8.427 ppm2      1.267 CV     1
 OR { 1799}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  276}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.200     1.800 peak   276 weight  0.10000E+01 volume  0.41493E-03 ppm1      8.432 ppm2      8.720 CV     1
 ASSI {  842}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak   842 weight  0.10000E+01 volume  0.32821E-02 ppm1      8.437 ppm2      5.274 CV     1
 ASSI { 2016}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.500     2.500     1.500 peak  2016 weight  0.10000E+01 volume  0.98742E-03 ppm1      8.432 ppm2      0.563 CV     1
 ASSI { 1403}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.800     1.800     1.800 peak  1403 weight  0.10000E+01 volume  0.17685E-02 ppm1      7.204 ppm2      3.470 CV     1
 ASSI { 2113}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      2.900     1.100     1.100 peak  2113 weight  0.10000E+01 volume  0.37099E-02 ppm1      7.204 ppm2     -0.093 CV     1
 ASSI { 1244}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     1.200     1.200 peak  1244 weight  0.10000E+01 volume  0.23257E-02 ppm1      7.200 ppm2      4.360 CV     1
 ASSI { 1763}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.100     1.200     1.200 peak  1763 weight  0.10000E+01 volume  0.38646E-02 ppm1      7.204 ppm2      1.360 CV     1
 ASSI {  449}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak   449 weight  0.10000E+01 volume  0.89949E-02 ppm1      7.204 ppm2      8.415 CV     1
 ASSI { 1287}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.900     0.900 peak  1287 weight  0.10000E+01 volume  0.41145E-02 ppm1      7.204 ppm2      4.196 CV     1
 ASSI { 1704}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.700     0.900     0.900 peak  1704 weight  0.10000E+01 volume  0.38606E-02 ppm1      7.204 ppm2      1.595 CV     1
 OR { 1704}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  938}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.500     1.600     1.600 peak   938 weight  0.10000E+01 volume  0.10993E-02 ppm1      7.200 ppm2      4.876 CV     1
 ASSI { 1666}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.700     0.900     0.900 peak  1666 weight  0.10000E+01 volume  0.54593E-02 ppm1      7.204 ppm2      1.735 CV     1
 ASSI {  274}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.900     0.900 peak   274 weight  0.10000E+01 volume  0.45458E-02 ppm1      7.204 ppm2      8.720 CV     1
 ASSI {  838}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.400     2.400     1.600 peak   838 weight  0.10000E+01 volume  0.96124E-03 ppm1      7.200 ppm2      5.274 CV     1
 ASSI { 1927}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.400     1.400 peak  1927 weight  0.10000E+01 volume  0.12935E-02 ppm1      7.200 ppm2      0.821 CV     1
 ASSI { 2119}
   (( segid "    " and resid 24   and name HE1 ))
   (  segid "    " and resid 21   and name HG2%)
      3.100     1.200     1.200 peak  2119 weight  0.10000E+01 volume  0.17105E-02 ppm1      9.136 ppm2     -0.093 CV     1
 ASSI { 1282}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.600     0.600 peak  1282 weight  0.10000E+01 volume  0.12754E-01 ppm1      8.593 ppm2      4.196 CV     1
 ASSI { 1702}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak  1702 weight  0.10000E+01 volume  0.11014E-02 ppm1      8.598 ppm2      1.595 CV     1
 OR { 1702}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  933}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.200     1.200 peak   933 weight  0.10000E+01 volume  0.18442E-02 ppm1      8.593 ppm2      4.876 CV     1
 ASSI { 1375}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.800     1.800     1.800 peak  1375 weight  0.10000E+01 volume  0.18567E-02 ppm1      8.593 ppm2      3.657 CV     1
 ASSI { 1442}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     0.800     0.800 peak  1442 weight  0.10000E+01 volume  0.40275E-02 ppm1      8.593 ppm2      3.095 CV     1
 ASSI {  629}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 24   and name HZ2 ))
      2.800     1.000     1.000 peak   629 weight  0.10000E+01 volume  0.28054E-02 ppm1      9.136 ppm2      7.618 CV     1
 ASSI {  885}
   (( segid "    " and resid 24   and name HE1 ))
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.900     0.900 peak   885 weight  0.10000E+01 volume  0.23379E-02 ppm1      9.136 ppm2      5.110 CV     1
 ASSI { 1384}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.200     1.300     1.300 peak  1384 weight  0.10000E+01 volume  0.17181E-02 ppm1      8.530 ppm2      3.634 CV     1
 ASSI {  586}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
      3.000     1.100     1.100 peak   586 weight  0.10000E+01 volume  0.21724E-02 ppm1      8.520 ppm2      7.829 CV     1
 ASSI {  768}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HZ3 ))
      3.700     1.700     1.700 peak   768 weight  0.10000E+01 volume  0.22551E-02 ppm1      8.520 ppm2      6.821 CV     1
 ASSI {  976}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.100     1.100 peak   976 weight  0.10000E+01 volume  0.23733E-02 ppm1      8.515 ppm2      4.782 CV     1
 ASSI { 1547}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.600     0.900     0.900 peak  1547 weight  0.10000E+01 volume  0.38442E-02 ppm1      8.520 ppm2      2.392 CV     1
 OR { 1547}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI {  688}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.200     0.600     0.600 peak   688 weight  0.10000E+01 volume  0.78443E-02 ppm1      8.525 ppm2      7.360 CV     1
 ASSI { 1821}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.500     2.500     1.500 peak  1821 weight  0.10000E+01 volume  0.78018E-03 ppm1      8.530 ppm2      1.173 CV     1
 OR { 1821}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 1383}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.800     1.000     1.000 peak  1383 weight  0.10000E+01 volume  0.29591E-02 ppm1      7.376 ppm2      3.634 CV     1
 ASSI { 1443}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      4.500     2.600     1.500 peak  1443 weight  0.10000E+01 volume  0.12128E-02 ppm1      7.376 ppm2      3.095 CV     1
 ASSI {  588}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HE3 ))
      3.200     1.300     1.300 peak   588 weight  0.10000E+01 volume  0.11325E-02 ppm1      7.381 ppm2      7.829 CV     1
 ASSI {  928}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   928 weight  0.10000E+01 volume  0.30194E-02 ppm1      7.376 ppm2      4.923 CV     1
 ASSI { 1855}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      2.600     0.800     0.800 peak  1855 weight  0.10000E+01 volume  0.67724E-02 ppm1      7.390 ppm2      1.032 CV     1
 ASSI { 1818}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      2.900     1.000     1.000 peak  1818 weight  0.10000E+01 volume  0.15280E-02 ppm1      7.376 ppm2      1.173 CV     1
 ASSI {  914}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.000     0.500     0.500 peak   914 weight  0.10000E+01 volume  0.17417E-01 ppm1      8.578 ppm2      4.946 CV     1
 ASSI { 1557}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      2.100     0.500     0.500 peak  1557 weight  0.10000E+01 volume  0.87714E-02 ppm1      8.578 ppm2      2.298 CV     1
 ASSI { 1857}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG2%)
      3.700     1.700     1.700 peak  1857 weight  0.10000E+01 volume  0.23189E-02 ppm1      8.574 ppm2      1.032 CV     1
 ASSI { 1826}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HG1%)
      3.100     1.200     1.200 peak  1826 weight  0.10000E+01 volume  0.31046E-02 ppm1      8.578 ppm2      1.149 CV     1
 ASSI { 1232}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.800     0.800 peak  1232 weight  0.10000E+01 volume  0.37502E-02 ppm1      8.578 ppm2      4.384 CV     1
 ASSI { 1682}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.600     0.900     0.900 peak  1682 weight  0.10000E+01 volume  0.35663E-02 ppm1      8.578 ppm2      1.688 CV     1
 OR { 1682}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
 ASSI { 1476}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.600     0.900     0.900 peak  1476 weight  0.10000E+01 volume  0.32888E-02 ppm1      8.578 ppm2      2.860 CV     1
 OR { 1476}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 1540}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak  1540 weight  0.10000E+01 volume  0.11197E-02 ppm1      8.574 ppm2      2.415 CV     1
 ASSI { 1229}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      1.900     0.500     0.500 peak  1229 weight  0.10000E+01 volume  0.19876E-01 ppm1      8.740 ppm2      4.407 CV     1
 ASSI { 1686}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      2.100     0.600     0.600 peak  1686 weight  0.10000E+01 volume  0.13791E-01 ppm1      8.740 ppm2      1.688 CV     1
 OR { 1686}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 1415}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.300     0.700     0.700 peak  1415 weight  0.10000E+01 volume  0.63543E-02 ppm1      8.740 ppm2      3.399 CV     1
 ASSI { 1658}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  1658 weight  0.10000E+01 volume  0.11309E-01 ppm1      8.745 ppm2      1.759 CV     1
 OR { 1658}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI { 1602}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG1 ))
      2.300     0.600     0.600 peak  1602 weight  0.10000E+01 volume  0.67772E-02 ppm1      8.740 ppm2      1.970 CV     1
 OR { 1602}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2026}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     1.800     1.800 peak  2026 weight  0.10000E+01 volume  0.11164E-02 ppm1      8.740 ppm2      0.563 CV     1
 ASSI { 1200}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.200     2.200     1.800 peak  1200 weight  0.10000E+01 volume  0.14108E-02 ppm1      8.740 ppm2      4.501 CV     1
 ASSI { 2104}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak  2104 weight  0.10000E+01 volume  0.29332E-02 ppm1      8.740 ppm2      0.024 CV     1
 ASSI {  247}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      3.500     1.500     1.500 peak   247 weight  0.10000E+01 volume  0.37523E-02 ppm1      8.745 ppm2      8.813 CV     1
 ASSI { 1414}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA  ))
      2.100     0.600     0.600 peak  1414 weight  0.10000E+01 volume  0.94217E-02 ppm1      9.175 ppm2      3.399 CV     1
 ASSI { 1237}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      2.900     1.100     1.100 peak  1237 weight  0.10000E+01 volume  0.21551E-02 ppm1      9.175 ppm2      4.384 CV     1
 OR { 1237}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  549}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.000     1.000 peak   549 weight  0.10000E+01 volume  0.19861E-02 ppm1      9.175 ppm2      7.946 CV     1
 ASSI { 1539}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.400     1.400     1.400 peak  1539 weight  0.10000E+01 volume  0.11369E-02 ppm1      9.175 ppm2      2.415 CV     1
 ASSI { 2015}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.500     1.600     1.600 peak  2015 weight  0.10000E+01 volume  0.11369E-02 ppm1      9.180 ppm2      0.563 CV     1
 ASSI { 1561}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 26   and name HB  ))
      4.100     2.100     1.900 peak  1561 weight  0.10000E+01 volume  0.11040E-02 ppm1      7.953 ppm2      2.274 CV     1
 ASSI {  334}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   334 weight  0.10000E+01 volume  0.14213E-02 ppm1      7.953 ppm2      8.579 CV     1
 ASSI { 1238}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA2 ))
      3.000     1.100     1.100 peak  1238 weight  0.10000E+01 volume  0.29487E-02 ppm1      7.953 ppm2      4.384 CV     1
 OR { 1238}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA1 ))
 ASSI { 1004}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.600     0.800     0.800 peak  1004 weight  0.10000E+01 volume  0.60830E-02 ppm1      7.953 ppm2      4.688 CV     1
 ASSI { 1477}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.600     0.600 peak  1477 weight  0.10000E+01 volume  0.10433E-01 ppm1      7.953 ppm2      2.860 CV     1
 OR { 1477}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI { 1542}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.400     0.700     0.700 peak  1542 weight  0.10000E+01 volume  0.54953E-02 ppm1      7.953 ppm2      2.415 CV     1
 ASSI { 1970}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.700     1.700     1.700 peak  1970 weight  0.10000E+01 volume  0.14690E-02 ppm1      7.953 ppm2      0.704 CV     1
 ASSI { 2023}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.600     1.600     1.600 peak  2023 weight  0.10000E+01 volume  0.15783E-02 ppm1      7.953 ppm2      0.563 CV     1
 ASSI { 1006}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak  1006 weight  0.10000E+01 volume  0.12207E-01 ppm1      8.486 ppm2      4.688 CV     1
 ASSI { 1495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1495 weight  0.10000E+01 volume  0.38611E-02 ppm1      8.486 ppm2      2.720 CV     1
 OR { 1495}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  942}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   942 weight  0.10000E+01 volume  0.23428E-02 ppm1      8.486 ppm2      4.852 CV     1
 ASSI { 1322}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB  ))
      2.700     0.900     0.900 peak  1322 weight  0.10000E+01 volume  0.46120E-02 ppm1      8.486 ppm2      4.056 CV     1
 ASSI { 1822}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.900     1.900     1.900 peak  1822 weight  0.10000E+01 volume  0.17554E-02 ppm1      8.486 ppm2      1.173 CV     1
 ASSI { 1958}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak  1958 weight  0.10000E+01 volume  0.12779E-02 ppm1      8.481 ppm2      0.751 CV     1
 ASSI {  947}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.000     0.500     0.500 peak   947 weight  0.10000E+01 volume  0.12834E-01 ppm1      9.287 ppm2      4.852 CV     1
 ASSI { 1823}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      2.800     1.000     1.000 peak  1823 weight  0.10000E+01 volume  0.22909E-02 ppm1      9.287 ppm2      1.173 CV     1
 ASSI { 1932}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.300     1.300     1.300 peak  1932 weight  0.10000E+01 volume  0.37626E-02 ppm1      9.292 ppm2      0.821 CV     1
 ASSI { 1903}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      2.600     0.900     0.900 peak  1903 weight  0.10000E+01 volume  0.19143E-02 ppm1      9.292 ppm2      0.915 CV     1
 ASSI {  944}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.100     0.500     0.500 peak   944 weight  0.10000E+01 volume  0.12224E-01 ppm1      8.970 ppm2      4.852 CV     1
 ASSI { 1570}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.500     0.800     0.800 peak  1570 weight  0.10000E+01 volume  0.40132E-02 ppm1      8.970 ppm2      2.181 CV     1
 ASSI { 1938}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak  1938 weight  0.10000E+01 volume  0.12200E-02 ppm1      8.979 ppm2      0.798 CV     1
 ASSI {  839}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak   839 weight  0.10000E+01 volume  0.20180E-02 ppm1      8.970 ppm2      5.274 CV     1
 ASSI { 1343}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.300     1.400     1.400 peak  1343 weight  0.10000E+01 volume  0.13767E-02 ppm1      8.970 ppm2      3.845 CV     1
 ASSI { 1388}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.000     1.000 peak  1388 weight  0.10000E+01 volume  0.27405E-02 ppm1      8.970 ppm2      3.610 CV     1
 ASSI { 1465}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.900     1.000     1.000 peak  1465 weight  0.10000E+01 volume  0.22064E-02 ppm1      8.970 ppm2      2.931 CV     1
 OR { 1465}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  837}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.100     0.500     0.500 peak   837 weight  0.10000E+01 volume  0.14158E-01 ppm1      8.412 ppm2      5.298 CV     1
 ASSI { 1347}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.600     0.800     0.800 peak  1347 weight  0.10000E+01 volume  0.58244E-02 ppm1      8.412 ppm2      3.845 CV     1
 ASSI { 1449}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      2.500     0.800     0.800 peak  1449 weight  0.10000E+01 volume  0.56298E-02 ppm1      8.412 ppm2      3.071 CV     1
 ASSI { 1752}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.400     0.700     0.700 peak  1752 weight  0.10000E+01 volume  0.70663E-02 ppm1      8.412 ppm2      1.407 CV     1
 OR { 1752}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 1654}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG2 ))
      3.200     1.300     1.300 peak  1654 weight  0.10000E+01 volume  0.11295E-02 ppm1      7.165 ppm2      1.782 CV     1
 OR { 1654}
   (( segid "    " and resid 34   and name HE22))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI {  875}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   875 weight  0.10000E+01 volume  0.32053E-02 ppm1      8.412 ppm2      5.134 CV     1
 ASSI { 1326}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.800     0.800 peak  1326 weight  0.10000E+01 volume  0.77981E-02 ppm1      8.647 ppm2      4.032 CV     1
 ASSI { 1458}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.300     1.300 peak  1458 weight  0.10000E+01 volume  0.12087E-02 ppm1      8.647 ppm2      2.977 CV     1
 OR { 1458}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  268}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      4.200     2.200     1.800 peak   268 weight  0.10000E+01 volume  0.12665E-02 ppm1      8.642 ppm2      8.720 CV     1
 ASSI { 1446}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak  1446 weight  0.10000E+01 volume  0.23593E-02 ppm1      8.148 ppm2      3.071 CV     1
 ASSI { 1323}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  1323 weight  0.10000E+01 volume  0.15231E-02 ppm1      8.148 ppm2      4.032 CV     1
 ASSI {  312}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   312 weight  0.10000E+01 volume  0.45330E-02 ppm1      8.143 ppm2      8.626 CV     1
 ASSI { 1003}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak  1003 weight  0.10000E+01 volume  0.52688E-02 ppm1      8.143 ppm2      4.688 CV     1
 ASSI { 1468}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.300     0.700     0.700 peak  1468 weight  0.10000E+01 volume  0.93365E-02 ppm1      8.143 ppm2      2.931 CV     1
 OR { 1468}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.300     1.400     1.400 peak  1394 weight  0.10000E+01 volume  0.14187E-02 ppm1      8.143 ppm2      3.517 CV     1
 OR { 1394}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1499}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      4.000     2.000     2.000 peak  1499 weight  0.10000E+01 volume  0.13610E-02 ppm1      8.750 ppm2      2.696 CV     1
 OR { 1499}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
 ASSI { 1424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak  1424 weight  0.10000E+01 volume  0.26834E-02 ppm1      8.750 ppm2      3.352 CV     1
 OR { 1424}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 1302}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak  1302 weight  0.10000E+01 volume  0.54143E-02 ppm1      9.410 ppm2      4.149 CV     1
 ASSI { 1614}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.700     0.900     0.900 peak  1614 weight  0.10000E+01 volume  0.23364E-02 ppm1      9.415 ppm2      1.923 CV     1
 ASSI {  884}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.200     1.200 peak   884 weight  0.10000E+01 volume  0.20367E-02 ppm1      9.410 ppm2      5.110 CV     1
 ASSI { 1298}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.100     2.100     1.900 peak  1298 weight  0.10000E+01 volume  0.16942E-02 ppm1      7.913 ppm2      4.149 CV     1
 ASSI { 1000}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1000 weight  0.10000E+01 volume  0.18920E-02 ppm1      7.918 ppm2      4.688 CV     1
 ASSI { 1616}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      2.000     0.500     0.500 peak  1616 weight  0.10000E+01 volume  0.82125E-02 ppm1      7.913 ppm2      1.923 CV     1
 ASSI { 1805}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.000     1.200     1.200 peak  1805 weight  0.10000E+01 volume  0.24121E-02 ppm1      7.913 ppm2      1.220 CV     1
 ASSI {   29}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak    29 weight  0.10000E+01 volume  0.10307E-01 ppm1      7.918 ppm2      9.423 CV     1
 ASSI {  932}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   932 weight  0.10000E+01 volume  0.43453E-02 ppm1      7.918 ppm2      4.876 CV     1
 ASSI { 1473}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
      3.200     1.300     1.300 peak  1473 weight  0.10000E+01 volume  0.12023E-02 ppm1      7.913 ppm2      2.884 CV     1
 OR { 1473}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 1550}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.300     0.700     0.700 peak  1550 weight  0.10000E+01 volume  0.49295E-02 ppm1      7.918 ppm2      2.368 CV     1
 ASSI { 1719}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
      3.700     1.700     1.700 peak  1719 weight  0.10000E+01 volume  0.15895E-02 ppm1      7.918 ppm2      1.548 CV     1
 OR { 1719}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
 ASSI { 1863}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      3.700     1.700     1.700 peak  1863 weight  0.10000E+01 volume  0.19566E-02 ppm1      7.913 ppm2      1.009 CV     1
 ASSI {   86}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.25580E-02 ppm1      7.918 ppm2      9.188 CV     1
 ASSI {  881}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.000     2.000     2.000 peak   881 weight  0.10000E+01 volume  0.96249E-03 ppm1      7.918 ppm2      5.110 CV     1
 ASSI { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.700     1.700     1.700 peak  1788 weight  0.10000E+01 volume  0.11745E-02 ppm1      8.735 ppm2      1.267 CV     1
 OR { 1788}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1519}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.800     1.000     1.000 peak  1519 weight  0.10000E+01 volume  0.56335E-02 ppm1      8.730 ppm2      2.556 CV     1
 OR { 1519}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  852}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   852 weight  0.10000E+01 volume  0.16652E-02 ppm1      8.725 ppm2      5.251 CV     1
 ASSI { 1592}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak  1592 weight  0.10000E+01 volume  0.23553E-02 ppm1      8.730 ppm2      1.993 CV     1
 ASSI { 1667}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.600     0.900     0.900 peak  1667 weight  0.10000E+01 volume  0.36645E-02 ppm1      8.725 ppm2      1.735 CV     1
 ASSI {  851}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.000     0.500     0.500 peak   851 weight  0.10000E+01 volume  0.14722E-01 ppm1      9.180 ppm2      5.251 CV     1
 ASSI { 1587}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.400     1.400 peak  1587 weight  0.10000E+01 volume  0.21470E-02 ppm1      9.180 ppm2      2.017 CV     1
 ASSI { 1982}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      2.700     0.900     0.900 peak  1982 weight  0.10000E+01 volume  0.68518E-02 ppm1      9.180 ppm2      0.681 CV     1
 ASSI { 2028}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      2.800     1.000     1.000 peak  2028 weight  0.10000E+01 volume  0.30963E-02 ppm1      9.175 ppm2      0.563 CV     1
 ASSI { 1670}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      3.200     1.300     1.300 peak  1670 weight  0.10000E+01 volume  0.13040E-02 ppm1      9.180 ppm2      1.735 CV     1
 ASSI { 1924}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      4.100     2.100     1.900 peak  1924 weight  0.10000E+01 volume  0.54837E-03 ppm1      9.185 ppm2      0.821 CV     1
 ASSI {  957}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   957 weight  0.10000E+01 volume  0.12371E-02 ppm1      9.175 ppm2      4.829 CV     1
 ASSI { 1396}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      4.600     2.700     1.400 peak  1396 weight  0.10000E+01 volume  0.64292E-03 ppm1      9.014 ppm2      3.493 CV     1
 ASSI {  427}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   427 weight  0.10000E+01 volume  0.21560E-02 ppm1      9.014 ppm2      8.462 CV     1
 ASSI {  844}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.200     0.600     0.600 peak   844 weight  0.10000E+01 volume  0.85361E-02 ppm1      9.014 ppm2      5.274 CV     1
 ASSI { 1677}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB  ))
      2.800     1.000     1.000 peak  1677 weight  0.10000E+01 volume  0.44716E-02 ppm1      9.014 ppm2      1.712 CV     1
 ASSI { 2034}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      3.800     1.800     1.800 peak  2034 weight  0.10000E+01 volume  0.16165E-02 ppm1      9.023 ppm2      0.563 CV     1
 ASSI {  887}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   887 weight  0.10000E+01 volume  0.11478E-02 ppm1      9.009 ppm2      5.087 CV     1
 ASSI { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak  1650 weight  0.10000E+01 volume  0.38646E-02 ppm1      9.009 ppm2      1.806 CV     1
 OR { 1650}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI { 1623}
   (( segid "    " and resid 42   and name HE22))
   (( segid "    " and resid 42   and name HB1 ))
      4.000     2.000     2.000 peak  1623 weight  0.10000E+01 volume  0.11160E-02 ppm1      7.371 ppm2      1.876 CV     1
 OR { 1623}
   (( segid "    " and resid 42   and name HE22))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1368}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.700     1.700     1.700 peak  1368 weight  0.10000E+01 volume  0.11375E-02 ppm1      9.019 ppm2      3.727 CV     1
 OR { 1368}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  891}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.700     0.700 peak   891 weight  0.10000E+01 volume  0.70236E-02 ppm1      8.813 ppm2      5.087 CV     1
 ASSI {  907}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.300     1.300     1.300 peak   907 weight  0.10000E+01 volume  0.12150E-02 ppm1      8.813 ppm2      4.970 CV     1
 ASSI { 1354}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak  1354 weight  0.10000E+01 volume  0.11234E-02 ppm1      8.813 ppm2      3.751 CV     1
 OR { 1354}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
 ASSI {  858}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.600     1.600     1.600 peak   858 weight  0.10000E+01 volume  0.87198E-03 ppm1      8.818 ppm2      5.204 CV     1
 ASSI { 1251}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.800     1.800     1.800 peak  1251 weight  0.10000E+01 volume  0.77962E-03 ppm1      7.708 ppm2      4.337 CV     1
 ASSI { 1693}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.800     1.800     1.800 peak  1693 weight  0.10000E+01 volume  0.72013E-03 ppm1      7.708 ppm2      1.665 CV     1
 OR { 1693}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1178}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak  1178 weight  0.10000E+01 volume  0.11919E-02 ppm1      8.285 ppm2      4.548 CV     1
 ASSI { 1377}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.900     1.900     1.900 peak  1377 weight  0.10000E+01 volume  0.64735E-03 ppm1      8.285 ppm2      3.657 CV     1
 OR { 1377}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1989}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 41   and name HG1%)
      2.700     0.900     0.900 peak  1989 weight  0.10000E+01 volume  0.16896E-02 ppm1      9.170 ppm2      0.681 CV     1
 ASSI { 2013}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 41   and name HG2%)
      4.000     2.000     2.000 peak  2013 weight  0.10000E+01 volume  0.45670E-03 ppm1      9.165 ppm2      0.563 CV     1
 ASSI {  202}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.800     1.800     1.800 peak   202 weight  0.10000E+01 volume  0.53128E-03 ppm1      9.165 ppm2      9.024 CV     1
 ASSI {  892}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.600     1.600     1.600 peak   892 weight  0.10000E+01 volume  0.86455E-03 ppm1      9.170 ppm2      5.087 CV     1
 ASSI {  863}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.200     0.600     0.600 peak   863 weight  0.10000E+01 volume  0.10041E-01 ppm1      9.170 ppm2      5.181 CV     1
 ASSI { 1246}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     1.200     1.200 peak  1246 weight  0.10000E+01 volume  0.15472E-02 ppm1      9.170 ppm2      4.360 CV     1
 ASSI { 1655}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.900     1.100     1.100 peak  1655 weight  0.10000E+01 volume  0.29976E-02 ppm1      9.165 ppm2      1.782 CV     1
 ASSI { 1942}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.200     1.200 peak  1942 weight  0.10000E+01 volume  0.20656E-02 ppm1      9.170 ppm2      0.798 CV     1
 ASSI { 1248}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak  1248 weight  0.10000E+01 volume  0.77598E-02 ppm1      8.583 ppm2      4.337 CV     1
 ASSI { 1923}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG1%)
      2.800     1.000     1.000 peak  1923 weight  0.10000E+01 volume  0.53800E-02 ppm1      8.588 ppm2      0.821 CV     1
 ASSI { 1338}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB  ))
      3.200     1.300     1.300 peak  1338 weight  0.10000E+01 volume  0.29466E-02 ppm1      8.583 ppm2      3.938 CV     1
 ASSI {  853}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.400     1.400     1.400 peak   853 weight  0.10000E+01 volume  0.94115E-03 ppm1      9.190 ppm2      5.251 CV     1
 ASSI {  951}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   951 weight  0.10000E+01 volume  0.54347E-02 ppm1      9.185 ppm2      4.829 CV     1
 ASSI {  345}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.500     2.500     1.500 peak   345 weight  0.10000E+01 volume  0.38263E-03 ppm1      9.195 ppm2      8.579 CV     1
 ASSI { 1220}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.300     1.300     1.300 peak  1220 weight  0.10000E+01 volume  0.95608E-03 ppm1      9.185 ppm2      4.431 CV     1
 ASSI { 1552}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB  ))
      2.700     0.900     0.900 peak  1552 weight  0.10000E+01 volume  0.27094E-02 ppm1      9.185 ppm2      2.345 CV     1
 ASSI { 2000}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HD1%)
      4.400     2.400     1.600 peak  2000 weight  0.10000E+01 volume  0.64470E-03 ppm1      9.185 ppm2      0.610 CV     1
 ASSI { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG12))
      3.100     1.200     1.200 peak  1723 weight  0.10000E+01 volume  0.13914E-02 ppm1      9.185 ppm2      1.548 CV     1
 OR { 1723}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG11))
 ASSI { 1864}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HG2%)
      4.100     2.100     1.900 peak  1864 weight  0.10000E+01 volume  0.16410E-02 ppm1      9.185 ppm2      1.009 CV     1
 ASSI { 1215}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak  1215 weight  0.10000E+01 volume  0.52370E-02 ppm1      8.539 ppm2      4.431 CV     1
 ASSI { 1860}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 51   and name HG2%)
      3.500     1.500     1.500 peak  1860 weight  0.10000E+01 volume  0.15535E-02 ppm1      8.549 ppm2      1.032 CV     1
 ASSI { 1775}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      4.100     2.100     1.900 peak  1775 weight  0.10000E+01 volume  0.14866E-02 ppm1      8.911 ppm2      1.313 CV     1
 OR { 1775}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 1843}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.000     2.000     2.000 peak  1843 weight  0.10000E+01 volume  0.18891E-02 ppm1      8.911 ppm2      1.079 CV     1
 OR { 1843}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
 ASSI { 1724}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak  1724 weight  0.10000E+01 volume  0.11045E-02 ppm1      8.906 ppm2      1.524 CV     1
 OR { 1724}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  882}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.100     0.600     0.600 peak   882 weight  0.10000E+01 volume  0.12411E-01 ppm1      8.911 ppm2      5.110 CV     1
 ASSI { 1346}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB  ))
      2.500     0.800     0.800 peak  1346 weight  0.10000E+01 volume  0.54042E-02 ppm1      8.911 ppm2      3.845 CV     1
 ASSI { 1300}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  1300 weight  0.10000E+01 volume  0.64941E-02 ppm1      8.911 ppm2      4.149 CV     1
 ASSI { 1393}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak  1393 weight  0.10000E+01 volume  0.70201E-02 ppm1      8.911 ppm2      3.517 CV     1
 OR { 1393}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1374}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  1374 weight  0.10000E+01 volume  0.39962E-02 ppm1      6.036 ppm2      3.704 CV     1
 OR { 1374}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1810}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.600     1.600 peak  1810 weight  0.10000E+01 volume  0.14485E-02 ppm1      6.041 ppm2      1.196 CV     1
 OR { 1810}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  666}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.900     1.000     1.000 peak   666 weight  0.10000E+01 volume  0.23214E-02 ppm1      6.036 ppm2      7.501 CV     1
 ASSI { 1371}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.200     1.300     1.300 peak  1371 weight  0.10000E+01 volume  0.12933E-02 ppm1      7.513 ppm2      3.704 CV     1
 OR { 1371}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
 ASSI { 1294}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     1.400     1.400 peak  1294 weight  0.10000E+01 volume  0.15228E-02 ppm1      7.517 ppm2      4.173 CV     1
 ASSI { 1448}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD1 ))
      3.400     1.400     1.400 peak  1448 weight  0.10000E+01 volume  0.11633E-02 ppm1      7.513 ppm2      3.071 CV     1
 OR { 1448}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI { 1011}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.900     0.900 peak  1011 weight  0.10000E+01 volume  0.39375E-02 ppm1      7.513 ppm2      4.642 CV     1
 ASSI { 1464}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.500     1.500     1.500 peak  1464 weight  0.10000E+01 volume  0.14385E-02 ppm1      7.517 ppm2      2.931 CV     1
 ASSI { 1597}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.800     1.000     1.000 peak  1597 weight  0.10000E+01 volume  0.27523E-02 ppm1      7.517 ppm2      1.970 CV     1
 ASSI { 1014}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.100     0.600     0.600 peak  1014 weight  0.10000E+01 volume  0.16220E-01 ppm1      8.500 ppm2      4.642 CV     1
 ASSI { 1462}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.700     0.900     0.900 peak  1462 weight  0.10000E+01 volume  0.37357E-02 ppm1      8.500 ppm2      2.931 CV     1
 ASSI { 1594}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.900     1.900     1.900 peak  1594 weight  0.10000E+01 volume  0.16296E-02 ppm1      8.505 ppm2      1.993 CV     1
 ASSI {  872}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.900     1.000     1.000 peak   872 weight  0.10000E+01 volume  0.25775E-02 ppm1      8.500 ppm2      5.134 CV     1
 ASSI { 1491}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.100     1.100 peak  1491 weight  0.10000E+01 volume  0.19100E-02 ppm1      8.505 ppm2      2.767 CV     1
 ASSI { 1512}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak  1512 weight  0.10000E+01 volume  0.53263E-02 ppm1      8.500 ppm2      2.579 CV     1
 ASSI { 1824}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 31   and name HG2%)
      3.400     1.500     1.500 peak  1824 weight  0.10000E+01 volume  0.11776E-02 ppm1      8.828 ppm2      1.173 CV     1
 ASSI {  949}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.600     1.700     1.700 peak   949 weight  0.10000E+01 volume  0.12651E-02 ppm1      8.823 ppm2      4.852 CV     1
 ASSI { 1944}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.200     1.300     1.300 peak  1944 weight  0.10000E+01 volume  0.59008E-02 ppm1      8.823 ppm2      0.798 CV     1
 ASSI {   49}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak    49 weight  0.10000E+01 volume  0.36973E-02 ppm1      8.823 ppm2      9.282 CV     1
 ASSI {  847}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.000     2.000 peak   847 weight  0.10000E+01 volume  0.14884E-02 ppm1      8.823 ppm2      5.251 CV     1
 ASSI {  870}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.000     0.500     0.500 peak   870 weight  0.10000E+01 volume  0.14345E-01 ppm1      8.823 ppm2      5.134 CV     1
 ASSI { 1494}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak  1494 weight  0.10000E+01 volume  0.25121E-02 ppm1      8.828 ppm2      2.767 CV     1
 ASSI { 1513}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.800     1.800     1.800 peak  1513 weight  0.10000E+01 volume  0.12229E-02 ppm1      8.823 ppm2      2.579 CV     1
 ASSI { 1207}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
      2.700     0.900     0.900 peak  1207 weight  0.10000E+01 volume  0.33686E-02 ppm1      8.823 ppm2      4.477 CV     1
 OR { 1207}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
 ASSI { 2054}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.900     1.900     1.900 peak  2054 weight  0.10000E+01 volume  0.11801E-02 ppm1      8.828 ppm2      0.446 CV     1
 ASSI { 1206}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA2 ))
      2.500     0.800     0.800 peak  1206 weight  0.10000E+01 volume  0.51209E-02 ppm1      8.319 ppm2      4.477 CV     1
 OR { 1206}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA1 ))
 ASSI {  979}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   979 weight  0.10000E+01 volume  0.25601E-02 ppm1      8.329 ppm2      4.782 CV     1
 ASSI { 1953}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG2%)
      4.400     2.400     1.600 peak  1953 weight  0.10000E+01 volume  0.53424E-03 ppm1      8.319 ppm2      0.774 CV     1
 ASSI { 1902}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      2.900     1.100     1.100 peak  1902 weight  0.10000E+01 volume  0.33435E-02 ppm1      8.319 ppm2      0.915 CV     1
 ASSI { 1978}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      4.300     2.300     1.700 peak  1978 weight  0.10000E+01 volume  0.11946E-02 ppm1      8.319 ppm2      0.681 CV     1
 ASSI { 2056}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak  2056 weight  0.10000E+01 volume  0.22155E-02 ppm1      8.329 ppm2      0.446 CV     1
 ASSI { 1588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.300     1.300     1.300 peak  1588 weight  0.10000E+01 volume  0.11704E-02 ppm1      8.329 ppm2      2.017 CV     1
 OR { 1588}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {   24}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.700     0.900     0.900 peak    24 weight  0.10000E+01 volume  0.25760E-02 ppm1      8.324 ppm2      9.517 CV     1
 ASSI {  333}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.600     1.600     1.600 peak   333 weight  0.10000E+01 volume  0.13592E-02 ppm1      8.329 ppm2      4.923 CV     1
 ASSI {  544}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.500     1.500     1.500 peak   544 weight  0.10000E+01 volume  0.10374E-02 ppm1      9.190 ppm2      7.946 CV     1
 ASSI {  335}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.100     1.100 peak   335 weight  0.10000E+01 volume  0.17197E-02 ppm1      9.185 ppm2      4.876 CV     1
 ASSI {  972}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      1.900     0.500     0.500 peak   972 weight  0.10000E+01 volume  0.15048E-01 ppm1      9.190 ppm2      4.806 CV     1
 ASSI { 1899}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HG1%)
      3.900     1.900     1.900 peak  1899 weight  0.10000E+01 volume  0.17365E-02 ppm1      9.190 ppm2      0.915 CV     1
 ASSI { 1318}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak  1318 weight  0.10000E+01 volume  0.23732E-02 ppm1      9.185 ppm2      4.079 CV     1
 ASSI { 1537}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.600     0.600 peak  1537 weight  0.10000E+01 volume  0.82180E-02 ppm1      9.190 ppm2      2.415 CV     1
 ASSI { 1971}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HD1%)
      3.100     1.200     1.200 peak  1971 weight  0.10000E+01 volume  0.58159E-02 ppm1      9.190 ppm2      0.704 CV     1
 ASSI { 1803}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG11))
      2.400     0.700     0.700 peak  1803 weight  0.10000E+01 volume  0.34062E-02 ppm1      9.190 ppm2      1.243 CV     1
 OR { 1803}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HG12))
 ASSI { 2009}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.700     1.700     1.700 peak  2009 weight  0.10000E+01 volume  0.23102E-02 ppm1      9.190 ppm2      0.587 CV     1
 ASSI { 1313}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      1.900     0.500     0.500 peak  1313 weight  0.10000E+01 volume  0.13595E-01 ppm1      8.882 ppm2      4.079 CV     1
 ASSI { 1174}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak  1174 weight  0.10000E+01 volume  0.25788E-02 ppm1      8.882 ppm2      4.571 CV     1
 ASSI { 1625}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1625 weight  0.10000E+01 volume  0.17387E-02 ppm1      8.887 ppm2      1.876 CV     1
 ASSI { 1747}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.500     0.800     0.800 peak  1747 weight  0.10000E+01 volume  0.34131E-02 ppm1      8.882 ppm2      1.431 CV     1
 ASSI { 1720}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HD2 ))
      3.800     1.900     1.900 peak  1720 weight  0.10000E+01 volume  0.24323E-02 ppm1      8.882 ppm2      1.548 CV     1
 OR { 1720}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI {  741}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak   741 weight  0.10000E+01 volume  0.85939E-02 ppm1      8.882 ppm2      7.102 CV     1
 ASSI { 1851}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      5.000     3.100     1.000 peak  1851 weight  0.10000E+01 volume  0.37376E-03 ppm1      8.887 ppm2      1.056 CV     1
 ASSI { 1781}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      4.000     2.000     2.000 peak  1781 weight  0.10000E+01 volume  0.56420E-03 ppm1      8.887 ppm2      1.290 CV     1
 ASSI { 1566}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.400     2.500     1.600 peak  1566 weight  0.10000E+01 volume  0.46790E-03 ppm1      8.882 ppm2      2.251 CV     1
 ASSI { 1533}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.300     1.400     1.400 peak  1533 weight  0.10000E+01 volume  0.10795E-02 ppm1      8.882 ppm2      2.438 CV     1
 ASSI {  353}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      3.500     1.500     1.500 peak   353 weight  0.10000E+01 volume  0.10041E-02 ppm1      8.887 ppm2      8.392 CV     1
 ASSI {  968}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.100     1.100 peak   968 weight  0.10000E+01 volume  0.34777E-02 ppm1      8.882 ppm2      4.806 CV     1
 ASSI { 2032}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.600     1.700     1.700 peak  2032 weight  0.10000E+01 volume  0.29365E-02 ppm1      8.887 ppm2      0.563 CV     1
 ASSI { 1981}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak  1981 weight  0.10000E+01 volume  0.15247E-02 ppm1      8.882 ppm2      0.681 CV     1
 OR { 1981}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI { 2052}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.600     2.700     1.400 peak  2052 weight  0.10000E+01 volume  0.87026E-03 ppm1      8.877 ppm2      0.446 CV     1
 ASSI { 1315}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1315 weight  0.10000E+01 volume  0.15222E-02 ppm1      7.112 ppm2      4.079 CV     1
 ASSI { 2021}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  2021 weight  0.10000E+01 volume  0.38299E-02 ppm1      7.107 ppm2      0.563 CV     1
 ASSI { 1173}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1173 weight  0.10000E+01 volume  0.12396E-02 ppm1      7.112 ppm2      4.571 CV     1
 ASSI { 1621}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak  1621 weight  0.10000E+01 volume  0.11791E-02 ppm1      7.112 ppm2      1.876 CV     1
 ASSI { 1742}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.700     1.700     1.700 peak  1742 weight  0.10000E+01 volume  0.19702E-02 ppm1      7.112 ppm2      1.431 CV     1
 ASSI { 1255}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak  1255 weight  0.10000E+01 volume  0.33146E-02 ppm1      7.112 ppm2      4.313 CV     1
 ASSI { 1676}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.300     1.300     1.300 peak  1676 weight  0.10000E+01 volume  0.14911E-02 ppm1      7.112 ppm2      1.712 CV     1
 ASSI { 1792}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB1 ))
      3.500     1.500     1.500 peak  1792 weight  0.10000E+01 volume  0.21008E-02 ppm1      7.112 ppm2      1.267 CV     1
 ASSI { 1563}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      4.400     2.400     1.600 peak  1563 weight  0.10000E+01 volume  0.12387E-02 ppm1      7.107 ppm2      2.274 CV     1
 ASSI { 1531}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak  1531 weight  0.10000E+01 volume  0.29852E-02 ppm1      7.112 ppm2      2.462 CV     1
 ASSI { 1256}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      1.800     0.400     0.400 peak  1256 weight  0.10000E+01 volume  0.19216E-01 ppm1      8.808 ppm2      4.313 CV     1
 ASSI { 1665}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      4.300     2.300     1.700 peak  1665 weight  0.10000E+01 volume  0.11598E-02 ppm1      8.808 ppm2      1.735 CV     1
 ASSI { 1898}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.400     1.500     1.500 peak  1898 weight  0.10000E+01 volume  0.22343E-02 ppm1      8.808 ppm2      0.915 CV     1
 OR { 1898}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI { 1193}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak  1193 weight  0.10000E+01 volume  0.16723E-02 ppm1      8.813 ppm2      4.524 CV     1
 ASSI { 1933}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.500     1.500 peak  1933 weight  0.10000E+01 volume  0.21219E-02 ppm1      8.808 ppm2      0.798 CV     1
 ASSI { 1780}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.300     0.700     0.700 peak  1780 weight  0.10000E+01 volume  0.55938E-02 ppm1      8.808 ppm2      1.290 CV     1
 ASSI { 2105}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      3.600     1.600     1.600 peak  2105 weight  0.10000E+01 volume  0.11016E-02 ppm1      8.808 ppm2      0.024 CV     1
 ASSI { 1993}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      2.700     0.900     0.900 peak  1993 weight  0.10000E+01 volume  0.22074E-02 ppm1      8.808 ppm2      0.657 CV     1
 ASSI { 1190}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1190 weight  0.10000E+01 volume  0.88034E-02 ppm1      8.055 ppm2      4.524 CV     1
 ASSI { 1936}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.600     1.600     1.600 peak  1936 weight  0.10000E+01 volume  0.12641E-02 ppm1      8.055 ppm2      0.798 CV     1
 ASSI { 1791}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.800     1.800     1.800 peak  1791 weight  0.10000E+01 volume  0.15822E-02 ppm1      8.055 ppm2      1.267 CV     1
 ASSI { 1349}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak  1349 weight  0.10000E+01 volume  0.23463E-02 ppm1      8.055 ppm2      3.821 CV     1
 ASSI { 1544}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.400     1.400     1.400 peak  1544 weight  0.10000E+01 volume  0.20564E-02 ppm1      8.055 ppm2      2.392 CV     1
 ASSI { 1508}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.400     0.700     0.700 peak  1508 weight  0.10000E+01 volume  0.49606E-02 ppm1      8.055 ppm2      2.649 CV     1
 ASSI {  825}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.500     1.500     1.500 peak   825 weight  0.10000E+01 volume  0.15605E-02 ppm1      8.055 ppm2      5.602 CV     1
 ASSI { 1941}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak  1941 weight  0.10000E+01 volume  0.17565E-02 ppm1      7.028 ppm2      0.798 CV     1
 ASSI {  530}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.000     1.100     1.100 peak   530 weight  0.10000E+01 volume  0.20167E-02 ppm1      7.028 ppm2      8.040 CV     1
 ASSI {  876}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.000     1.200     1.200 peak   876 weight  0.10000E+01 volume  0.17689E-02 ppm1      7.038 ppm2      5.110 CV     1
 ASSI { 1509}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.900     1.000     1.000 peak  1509 weight  0.10000E+01 volume  0.23030E-02 ppm1      7.028 ppm2      2.649 CV     1
 ASSI {  874}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.300     0.600     0.600 peak   874 weight  0.10000E+01 volume  0.72583E-02 ppm1      9.654 ppm2      5.134 CV     1
 ASSI { 1382}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     1.300     1.300 peak  1382 weight  0.10000E+01 volume  0.15594E-02 ppm1      9.649 ppm2      3.657 CV     1
 ASSI { 1490}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.600     0.900     0.900 peak  1490 weight  0.10000E+01 volume  0.27799E-02 ppm1      9.654 ppm2      2.790 CV     1
 ASSI {  873}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak   873 weight  0.10000E+01 volume  0.10294E-01 ppm1      8.388 ppm2      5.134 CV     1
 ASSI { 1466}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.200     0.600     0.600 peak  1466 weight  0.10000E+01 volume  0.58550E-02 ppm1      8.388 ppm2      2.931 CV     1
 ASSI { 1489}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.900     1.000     1.000 peak  1489 weight  0.10000E+01 volume  0.21970E-02 ppm1      8.383 ppm2      2.790 CV     1
 ASSI { 1356}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak  1356 weight  0.10000E+01 volume  0.32040E-02 ppm1      8.383 ppm2      3.751 CV     1
 ASSI { 1743}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak  1743 weight  0.10000E+01 volume  0.29286E-02 ppm1      8.383 ppm2      1.431 CV     1
 ASSI { 1680}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.200     0.600     0.600 peak  1680 weight  0.10000E+01 volume  0.82453E-02 ppm1      8.383 ppm2      1.688 CV     1
 ASSI { 1868}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD1%)
      3.200     1.300     1.300 peak  1868 weight  0.10000E+01 volume  0.11655E-02 ppm1      8.388 ppm2      0.985 CV     1
 ASSI { 1919}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD2%)
      4.000     2.000     2.000 peak  1919 weight  0.10000E+01 volume  0.21876E-02 ppm1      8.383 ppm2      0.845 CV     1
 ASSI { 1640}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      2.200     0.600     0.600 peak  1640 weight  0.10000E+01 volume  0.67195E-02 ppm1      8.383 ppm2      1.829 CV     1
 ASSI { 1751}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.600     1.700     1.700 peak  1751 weight  0.10000E+01 volume  0.13856E-02 ppm1      9.028 ppm2      1.407 CV     1
 ASSI { 1303}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.300     0.700     0.700 peak  1303 weight  0.10000E+01 volume  0.11032E-01 ppm1      9.033 ppm2      4.126 CV     1
 ASSI {  633}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     0.900     0.900 peak   633 weight  0.10000E+01 volume  0.24562E-02 ppm1      9.033 ppm2      7.618 CV     1
 ASSI { 1363}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      4.100     2.100     1.900 peak  1363 weight  0.10000E+01 volume  0.12436E-02 ppm1      7.640 ppm2      3.727 CV     1
 ASSI { 1311}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak  1311 weight  0.10000E+01 volume  0.18441E-02 ppm1      7.645 ppm2      4.102 CV     1
 ASSI {  997}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak   997 weight  0.10000E+01 volume  0.28957E-02 ppm1      7.645 ppm2      4.688 CV     1
 ASSI { 1482}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.600     1.600     1.600 peak  1482 weight  0.10000E+01 volume  0.24399E-02 ppm1      7.640 ppm2      2.837 CV     1
 ASSI { 1432}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.300     0.700     0.700 peak  1432 weight  0.10000E+01 volume  0.49434E-02 ppm1      7.645 ppm2      3.165 CV     1
 ASSI {  991}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.100     0.500     0.500 peak   991 weight  0.10000E+01 volume  0.17928E-01 ppm1      7.874 ppm2      4.712 CV     1
 ASSI { 1479}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  1479 weight  0.10000E+01 volume  0.60675E-02 ppm1      7.874 ppm2      2.837 CV     1
 ASSI { 1434}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak  1434 weight  0.10000E+01 volume  0.19314E-02 ppm1      7.874 ppm2      3.142 CV     1
 ASSI { 1261}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      2.700     0.900     0.900 peak  1261 weight  0.10000E+01 volume  0.31797E-02 ppm1      7.879 ppm2      4.290 CV     1
 ASSI { 1717}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      2.300     0.600     0.600 peak  1717 weight  0.10000E+01 volume  0.10314E-01 ppm1      7.874 ppm2      1.571 CV     1
 ASSI { 1979}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.700     1.700     1.700 peak  1979 weight  0.10000E+01 volume  0.15341E-02 ppm1      7.874 ppm2      0.681 CV     1
 ASSI { 1741}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG12))
      2.600     0.900     0.900 peak  1741 weight  0.10000E+01 volume  0.46828E-02 ppm1      7.874 ppm2      1.454 CV     1
 OR { 1741}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HG11))
 ASSI { 2069}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.900     1.900     1.900 peak  2069 weight  0.10000E+01 volume  0.17819E-02 ppm1      7.879 ppm2      0.329 CV     1
 ASSI {  955}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.200     1.300     1.300 peak   955 weight  0.10000E+01 volume  0.24073E-02 ppm1      8.662 ppm2      4.829 CV     1
 ASSI { 1262}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      1.900     0.500     0.500 peak  1262 weight  0.10000E+01 volume  0.21645E-01 ppm1      8.652 ppm2      4.290 CV     1
 ASSI { 1715}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
      4.100     2.100     1.900 peak  1715 weight  0.10000E+01 volume  0.81765E-03 ppm1      8.652 ppm2      1.571 CV     1
 ASSI { 1988}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HD1%)
      3.000     1.100     1.100 peak  1988 weight  0.10000E+01 volume  0.10080E-02 ppm1      8.652 ppm2      0.681 CV     1
 ASSI { 1324}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.100     1.100 peak  1324 weight  0.10000E+01 volume  0.23762E-02 ppm1      8.657 ppm2      4.032 CV     1
 ASSI { 1325}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1325 weight  0.10000E+01 volume  0.39174E-02 ppm1      6.476 ppm2      4.032 CV     1
 ASSI { 1535}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.800     1.000     1.000 peak  1535 weight  0.10000E+01 volume  0.21034E-02 ppm1      6.476 ppm2      2.438 CV     1
 ASSI {  917}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.300     0.600     0.600 peak   917 weight  0.10000E+01 volume  0.94404E-02 ppm1      8.354 ppm2      4.946 CV     1
 ASSI { 1439}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      3.500     1.600     1.600 peak  1439 weight  0.10000E+01 volume  0.11760E-02 ppm1      8.354 ppm2      3.118 CV     1
 ASSI { 1421}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak  1421 weight  0.10000E+01 volume  0.19489E-02 ppm1      8.349 ppm2      3.376 CV     1
 ASSI { 1617}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB  ))
      2.500     0.800     0.800 peak  1617 weight  0.10000E+01 volume  0.60845E-02 ppm1      8.349 ppm2      1.923 CV     1
 ASSI { 1931}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HG1%)
      2.900     1.000     1.000 peak  1931 weight  0.10000E+01 volume  0.44108E-02 ppm1      8.349 ppm2      0.821 CV     1
 ASSI { 1418}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak  1418 weight  0.10000E+01 volume  0.65972E-02 ppm1      9.239 ppm2      3.376 CV     1
 ASSI { 1874}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HG2%)
      3.300     1.300     1.300 peak  1874 weight  0.10000E+01 volume  0.21745E-02 ppm1      9.239 ppm2      0.938 CV     1
 ASSI { 1239}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA2 ))
      3.000     1.100     1.100 peak  1239 weight  0.10000E+01 volume  0.20908E-02 ppm1      9.243 ppm2      4.384 CV     1
 OR { 1239}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA1 ))
 ASSI { 1762}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      3.100     1.200     1.200 peak  1762 weight  0.10000E+01 volume  0.19394E-02 ppm1      7.508 ppm2      1.360 CV     1
 OR { 1762}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
 ASSI { 1419}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.600     1.600 peak  1419 weight  0.10000E+01 volume  0.17654E-02 ppm1      7.508 ppm2      3.376 CV     1
 ASSI { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA2 ))
      3.400     1.400     1.400 peak  1240 weight  0.10000E+01 volume  0.17133E-02 ppm1      7.513 ppm2      4.384 CV     1
 OR { 1240}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA1 ))
 ASSI {   71}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak    71 weight  0.10000E+01 volume  0.40937E-02 ppm1      7.513 ppm2      9.235 CV     1
 ASSI {  936}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak   936 weight  0.10000E+01 volume  0.32201E-02 ppm1      7.508 ppm2      4.876 CV     1
 ASSI { 1595}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak  1595 weight  0.10000E+01 volume  0.55084E-02 ppm1      7.517 ppm2      1.993 CV     1
 OR { 1595}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI { 1288}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak  1288 weight  0.10000E+01 volume  0.29234E-02 ppm1      9.180 ppm2      4.196 CV     1
 ASSI { 1369}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.000     0.500     0.500 peak  1369 weight  0.10000E+01 volume  0.10380E-01 ppm1      9.185 ppm2      3.727 CV     1
 ASSI {  935}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak   935 weight  0.10000E+01 volume  0.16820E-02 ppm1      9.180 ppm2      4.876 CV     1
 ASSI { 1608}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.800     1.000     1.000 peak  1608 weight  0.10000E+01 volume  0.27223E-02 ppm1      9.180 ppm2      1.946 CV     1
 OR { 1608}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  639}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.100     0.600     0.600 peak   639 weight  0.10000E+01 volume  0.82195E-02 ppm1      9.180 ppm2      7.595 CV     1
 ASSI { 1395}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.400     1.400     1.400 peak  1395 weight  0.10000E+01 volume  0.18283E-02 ppm1      7.605 ppm2      3.493 CV     1
 OR { 1395}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI { 1292}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.800     2.800     1.200 peak  1292 weight  0.10000E+01 volume  0.64236E-03 ppm1      7.605 ppm2      4.173 CV     1
 ASSI { 1362}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      4.000     2.000     2.000 peak  1362 weight  0.10000E+01 volume  0.17752E-02 ppm1      7.601 ppm2      3.727 CV     1
 ASSI {  930}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.500     1.500     1.500 peak   930 weight  0.10000E+01 volume  0.13223E-02 ppm1      7.605 ppm2      4.899 CV     1
 ASSI { 1607}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.200     1.200 peak  1607 weight  0.10000E+01 volume  0.36539E-02 ppm1      7.605 ppm2      1.946 CV     1
 OR { 1607}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 1888}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.800     1.800     1.800 peak  1888 weight  0.10000E+01 volume  0.11683E-02 ppm1      7.601 ppm2      0.938 CV     1
 ASSI {  827}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   827 weight  0.10000E+01 volume  0.24697E-02 ppm1      7.601 ppm2      5.602 CV     1
 ASSI { 1850}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG1%)
      2.600     0.800     0.800 peak  1850 weight  0.10000E+01 volume  0.34427E-02 ppm1      7.605 ppm2      1.056 CV     1
 ASSI { 1795}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      3.800     1.800     1.800 peak  1795 weight  0.10000E+01 volume  0.15548E-02 ppm1      7.605 ppm2      1.267 CV     1
 ASSI { 1317}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.400     2.400     1.600 peak  1317 weight  0.10000E+01 volume  0.47369E-03 ppm1      8.412 ppm2      4.079 CV     1
 ASSI {  463}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   463 weight  0.10000E+01 volume  0.39801E-02 ppm1      8.407 ppm2      7.102 CV     1
 ASSI {  828}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.200     0.600     0.600 peak   828 weight  0.10000E+01 volume  0.70241E-02 ppm1      8.398 ppm2      5.602 CV     1
 ASSI { 1800}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 76   and name HG2%)
      2.600     0.800     0.800 peak  1800 weight  0.10000E+01 volume  0.20405E-02 ppm1      8.407 ppm2      1.267 CV     1
 ASSI {  818}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.000     1.100     1.100 peak   818 weight  0.10000E+01 volume  0.12314E-02 ppm1      8.398 ppm2      5.884 CV     1
 ASSI {  467}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.400     1.500     1.500 peak   467 weight  0.10000E+01 volume  0.23882E-02 ppm1      8.393 ppm2      2.274 CV     1
 ASSI { 1529}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.200     0.600     0.600 peak  1529 weight  0.10000E+01 volume  0.62448E-02 ppm1      8.398 ppm2      2.462 CV     1
 ASSI { 2040}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HG1%)
      4.200     2.200     1.800 peak  2040 weight  0.10000E+01 volume  0.64912E-03 ppm1      9.278 ppm2      0.517 CV     1
 ASSI { 2063}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.500     1.500     1.500 peak  2063 weight  0.10000E+01 volume  0.12930E-02 ppm1      9.278 ppm2      0.423 CV     1
 ASSI {  472}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     1.200     1.200 peak   472 weight  0.10000E+01 volume  0.15679E-02 ppm1      9.292 ppm2      4.946 CV     1
 ASSI {  822}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      2.100     0.600     0.600 peak   822 weight  0.10000E+01 volume  0.89214E-02 ppm1      9.278 ppm2      5.884 CV     1
 ASSI { 1564}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.700     1.700     1.700 peak  1564 weight  0.10000E+01 volume  0.10351E-02 ppm1      9.278 ppm2      2.274 CV     1
 ASSI {  475}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.300     2.300     1.700 peak   475 weight  0.10000E+01 volume  0.92028E-03 ppm1      9.292 ppm2      2.462 CV     1
 ASSI {  476}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   476 weight  0.10000E+01 volume  0.27877E-02 ppm1      9.287 ppm2      4.806 CV     1
 ASSI { 1770}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak  1770 weight  0.10000E+01 volume  0.20553E-02 ppm1      9.283 ppm2      1.337 CV     1
 ASSI { 1992}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.200     1.200     1.200 peak  1992 weight  0.10000E+01 volume  0.14569E-02 ppm1      9.283 ppm2      0.657 CV     1
 OR { 1992}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  233}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak   233 weight  0.10000E+01 volume  0.11520E-02 ppm1      9.542 ppm2      8.860 CV     1
 ASSI { 1647}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 57   and name HB  ))
      3.200     1.300     1.300 peak  1647 weight  0.10000E+01 volume  0.19278E-02 ppm1      9.537 ppm2      1.806 CV     1
 ASSI { 1316}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak  1316 weight  0.10000E+01 volume  0.91489E-03 ppm1      9.537 ppm2      4.079 CV     1
 ASSI {  970}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.000     0.500     0.500 peak   970 weight  0.10000E+01 volume  0.15304E-01 ppm1      9.537 ppm2      4.806 CV     1
 ASSI { 1768}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.700     1.700     1.700 peak  1768 weight  0.10000E+01 volume  0.78373E-03 ppm1      9.537 ppm2      1.337 CV     1
 ASSI { 1986}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.800     1.800     1.800 peak  1986 weight  0.10000E+01 volume  0.11949E-02 ppm1      9.542 ppm2      0.681 CV     1
 ASSI { 2050}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.700     0.900     0.900 peak  2050 weight  0.10000E+01 volume  0.31166E-02 ppm1      9.537 ppm2      0.446 CV     1
 ASSI {  940}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   940 weight  0.10000E+01 volume  0.12224E-02 ppm1      9.532 ppm2      4.876 CV     1
 ASSI { 1586}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak  1586 weight  0.10000E+01 volume  0.40082E-02 ppm1      9.542 ppm2      2.017 CV     1
 OR { 1586}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 1222}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak  1222 weight  0.10000E+01 volume  0.13839E-02 ppm1      8.887 ppm2      4.407 CV     1
 ASSI {  948}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.200     0.600     0.600 peak   948 weight  0.10000E+01 volume  0.83102E-02 ppm1      8.877 ppm2      4.852 CV     1
 ASSI { 1645}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      4.100     2.100     1.900 peak  1645 weight  0.10000E+01 volume  0.11330E-02 ppm1      8.891 ppm2      1.806 CV     1
 ASSI { 2122}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      4.100     2.100     1.900 peak  2122 weight  0.10000E+01 volume  0.82313E-03 ppm1      8.887 ppm2      9.517 CV     1
 ASSI {  495}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     1.100     1.100 peak   495 weight  0.10000E+01 volume  0.20165E-02 ppm1      8.891 ppm2      4.946 CV     1
 ASSI { 1299}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB  ))
      3.700     1.700     1.700 peak  1299 weight  0.10000E+01 volume  0.82586E-03 ppm1      8.887 ppm2      4.149 CV     1
 ASSI { 1867}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HG2%)
      2.900     1.000     1.000 peak  1867 weight  0.10000E+01 volume  0.37992E-02 ppm1      8.882 ppm2      0.985 CV     1
 ASSI {  926}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak   926 weight  0.10000E+01 volume  0.41520E-03 ppm1      8.613 ppm2      4.923 CV     1
 ASSI {    2}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 4    and name HG1%)
      3.400     1.400     1.400 peak     2 weight  0.10000E+01 volume  0.40205E-02 ppm1      0.435 ppm2      0.858 CV     1
 ASSI {    3}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak     3 weight  0.10000E+01 volume  0.15733E-02 ppm1      0.435 ppm2      1.889 CV     1
 ASSI {    4}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak     4 weight  0.10000E+01 volume  0.81672E-02 ppm1      0.423 ppm2      1.725 CV     1
 ASSI {    5}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HB  ))
      2.400     0.700     0.700 peak     5 weight  0.10000E+01 volume  0.73334E-02 ppm1      0.529 ppm2      1.725 CV     1
 ASSI {    6}
   (  segid "    " and resid 5    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak     6 weight  0.10000E+01 volume  0.60185E-02 ppm1      0.529 ppm2      4.256 CV     1
 ASSI {    7}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      2.800     1.000     1.000 peak     7 weight  0.10000E+01 volume  0.57538E-02 ppm1      0.423 ppm2      4.256 CV     1
 ASSI {   10}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 9    and name HD2%)
      2.900     1.100     1.100 peak    10 weight  0.10000E+01 volume  0.34411E-02 ppm1      1.976 ppm2      0.460 CV     1
 OR {   10}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 9    and name HD2%)
 ASSI {   14}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB1 ))
      2.400     0.700     0.700 peak    14 weight  0.10000E+01 volume  0.95100E-02 ppm1      0.811 ppm2      1.233 CV     1
 OR {   14}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {   15}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HG  ))
      2.900     1.000     1.000 peak    15 weight  0.10000E+01 volume  0.20286E-02 ppm1      1.964 ppm2      1.585 CV     1
 OR {   15}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG  ))
 ASSI {   18}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak    18 weight  0.10000E+01 volume  0.21942E-02 ppm1      1.247 ppm2      4.116 CV     1
 OR {   18}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {   20}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      2.300     0.600     0.600 peak    20 weight  0.10000E+01 volume  0.15801E-01 ppm1      0.811 ppm2      4.116 CV     1
 ASSI {   23}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    23 weight  0.10000E+01 volume  0.72785E-02 ppm1      3.776 ppm2      4.397 CV     1
 OR {   23}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {   25}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG12))
      2.600     0.800     0.800 peak    25 weight  0.10000E+01 volume  0.37833E-02 ppm1      0.588 ppm2      1.022 CV     1
 OR {   25}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG11))
 ASSI {   27}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG12))
      2.800     1.000     1.000 peak    27 weight  0.10000E+01 volume  0.34944E-02 ppm1      0.753 ppm2      1.210 CV     1
 OR {   27}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HG11))
 ASSI {   28}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HB  ))
      2.300     0.600     0.600 peak    28 weight  0.10000E+01 volume  0.93380E-02 ppm1      0.753 ppm2      1.866 CV     1
 ASSI {   29}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB  ))
      2.900     1.100     1.100 peak    29 weight  0.10000E+01 volume  0.22879E-02 ppm1      0.588 ppm2      1.866 CV     1
 ASSI {   30}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.700     0.700 peak    30 weight  0.10000E+01 volume  0.81945E-02 ppm1      0.753 ppm2      4.256 CV     1
 ASSI {   31}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      3.500     1.500     1.500 peak    31 weight  0.10000E+01 volume  0.23100E-02 ppm1      0.588 ppm2      4.256 CV     1
 ASSI {   32}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 16   and name HD1%)
      3.600     1.600     1.600 peak    32 weight  0.10000E+01 volume  0.25650E-02 ppm1      4.034 ppm2      0.717 CV     1
 ASSI {   33}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.500     0.800     0.800 peak    33 weight  0.10000E+01 volume  0.52447E-02 ppm1      3.199 ppm2      1.608 CV     1
 OR {   33}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
 OR {   33}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {   33}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   34}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     1.000     1.000 peak    34 weight  0.10000E+01 volume  0.37610E-02 ppm1      3.199 ppm2      1.796 CV     1
 OR {   34}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
 OR {   34}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB1 ))
 OR {   34}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {   38}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.600     1.600     1.600 peak    38 weight  0.10000E+01 volume  0.25580E-02 ppm1      3.199 ppm2      4.491 CV     1
 OR {   38}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   39}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak    39 weight  0.10000E+01 volume  0.20033E-02 ppm1      1.611 ppm2      4.491 CV     1
 OR {   39}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {   40}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.300     1.300 peak    40 weight  0.10000E+01 volume  0.14430E-02 ppm1      2.070 ppm2      4.983 CV     1
 OR {   40}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {   41}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG1%)
      2.500     0.800     0.800 peak    41 weight  0.10000E+01 volume  0.53249E-02 ppm1      1.823 ppm2      0.296 CV     1
 ASSI {   42}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2%)
      2.300     0.600     0.600 peak    42 weight  0.10000E+01 volume  0.92200E-02 ppm1      1.811 ppm2      0.577 CV     1
 ASSI {   43}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak    43 weight  0.10000E+01 volume  0.69225E-02 ppm1      1.811 ppm2      4.678 CV     1
 ASSI {   44}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 43   and name HA  ))
      3.500     1.600     1.600 peak    44 weight  0.10000E+01 volume  0.12933E-02 ppm1      1.823 ppm2      4.983 CV     1
 ASSI {   46}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HB  ))
      2.100     0.500     0.500 peak    46 weight  0.10000E+01 volume  0.15713E-01 ppm1      0.929 ppm2      3.717 CV     1
 ASSI {   47}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      3.100     1.200     1.200 peak    47 weight  0.10000E+01 volume  0.19539E-02 ppm1      3.717 ppm2      4.842 CV     1
 ASSI {   49}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      3.700     1.700     1.700 peak    49 weight  0.10000E+01 volume  0.22402E-02 ppm1     -0.071 ppm2      0.952 CV     1
 ASSI {   50}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 20   and name HA  ))
      3.700     1.700     1.700 peak    50 weight  0.10000E+01 volume  0.16263E-02 ppm1      0.294 ppm2      4.819 CV     1
 ASSI {   51}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.600     0.800     0.800 peak    51 weight  0.10000E+01 volume  0.40540E-02 ppm1      3.482 ppm2     -0.079 CV     1
 ASSI {   53}
   (( segid "    " and resid 21   and name HB  ))
   (  segid "    " and resid 21   and name HG1%)
      2.400     0.700     0.700 peak    53 weight  0.10000E+01 volume  0.58104E-02 ppm1      1.964 ppm2      0.296 CV     1
 ASSI {   55}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.200     0.600     0.600 peak    55 weight  0.10000E+01 volume  0.12034E-01 ppm1     -0.071 ppm2      1.960 CV     1
 ASSI {   56}
   (  segid "    " and resid 21   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
      2.300     0.700     0.700 peak    56 weight  0.10000E+01 volume  0.96038E-02 ppm1      0.294 ppm2      3.483 CV     1
 ASSI {   60}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      2.400     0.700     0.700 peak    60 weight  0.10000E+01 volume  0.34305E-02 ppm1      3.470 ppm2      5.288 CV     1
 ASSI {   62}
   (  segid "    " and resid 21   and name HG2%)
   (  segid "    " and resid 65   and name HD1%)
      3.000     1.100     1.100 peak    62 weight  0.10000E+01 volume  0.52509E-02 ppm1     -0.071 ppm2      0.811 CV     1
 ASSI {   64}
   (( segid "    " and resid 26   and name HB  ))
   (  segid "    " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak    64 weight  0.10000E+01 volume  0.68332E-02 ppm1      2.305 ppm2      1.163 CV     1
 ASSI {   66}
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.700     0.700 peak    66 weight  0.10000E+01 volume  0.57277E-02 ppm1      2.305 ppm2      4.936 CV     1
 ASSI {   67}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 26   and name HA  ))
      2.600     0.800     0.800 peak    67 weight  0.10000E+01 volume  0.40575E-02 ppm1      1.058 ppm2      4.936 CV     1
 ASSI {   69}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.500     0.800     0.800 peak    69 weight  0.10000E+01 volume  0.62416E-02 ppm1      1.682 ppm2      1.186 CV     1
 OR {   69}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   69}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   69}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {   70}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG1 ))
      2.800     1.000     1.000 peak    70 weight  0.10000E+01 volume  0.37262E-02 ppm1      2.952 ppm2      1.374 CV     1
 OR {   70}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {   70}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {   70}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {   71}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG2 ))
      1.800     0.400     0.400 peak    71 weight  0.10000E+01 volume  0.35597E-01 ppm1      1.635 ppm2      1.374 CV     1
 OR {   71}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG1 ))
 OR {   71}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 27   and name HG2 ))
 OR {   71}
   (( segid "    " and resid 27   and name HD1 ))
   (( segid "    " and resid 27   and name HG1 ))
 ASSI {   73}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.200     0.600     0.600 peak    73 weight  0.10000E+01 volume  0.13978E-01 ppm1      3.023 ppm2      1.631 CV     1
 OR {   73}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD2 ))
 OR {   73}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HD1 ))
 OR {   73}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD1 ))
 ASSI {   75}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak    75 weight  0.10000E+01 volume  0.19146E-02 ppm1      2.964 ppm2      4.374 CV     1
 OR {   75}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   76}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.200     0.600     0.600 peak    76 weight  0.10000E+01 volume  0.11139E-01 ppm1      1.694 ppm2      4.397 CV     1
 OR {   76}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
 ASSI {   77}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB1 ))
      2.500     0.800     0.800 peak    77 weight  0.10000E+01 volume  0.40751E-02 ppm1      3.411 ppm2      1.749 CV     1
 OR {   77}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
 ASSI {   78}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB1 ))
      2.000     0.500     0.500 peak    78 weight  0.10000E+01 volume  0.18861E-01 ppm1      1.988 ppm2      1.749 CV     1
 OR {   78}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HB2 ))
 OR {   78}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HB1 ))
 ASSI {   80}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HA  ))
      2.600     0.800     0.800 peak    80 weight  0.10000E+01 volume  0.64470E-02 ppm1      1.988 ppm2      3.413 CV     1
 OR {   80}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HA  ))
 ASSI {   81}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.400     0.700     0.700 peak    81 weight  0.10000E+01 volume  0.55050E-02 ppm1      3.411 ppm2      0.577 CV     1
 ASSI {   83}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak    83 weight  0.10000E+01 volume  0.14855E-02 ppm1      3.411 ppm2      0.694 CV     1
 ASSI {   86}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 61   and name HD1%)
      3.200     1.300     1.300 peak    86 weight  0.10000E+01 volume  0.23415E-02 ppm1      1.988 ppm2      0.014 CV     1
 OR {   86}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI {   90}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.800     1.800     1.800 peak    90 weight  0.10000E+01 volume  0.14226E-02 ppm1      2.199 ppm2      2.592 CV     1
 ASSI {   92}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.100     1.200     1.200 peak    92 weight  0.10000E+01 volume  0.16726E-02 ppm1      5.281 ppm2      3.835 CV     1
 ASSI {   93}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.000     1.000 peak    93 weight  0.10000E+01 volume  0.20973E-02 ppm1      3.599 ppm2      5.288 CV     1
 ASSI {   95}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak    95 weight  0.10000E+01 volume  0.31637E-02 ppm1      5.293 ppm2      5.147 CV     1
 ASSI {   96}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.800     1.000     1.000 peak    96 weight  0.10000E+01 volume  0.25350E-02 ppm1      3.082 ppm2      1.069 CV     1
 OR {   96}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
 ASSI {   97}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.600     0.900     0.900 peak    97 weight  0.10000E+01 volume  0.42517E-02 ppm1      3.082 ppm2      1.327 CV     1
 OR {   97}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
 ASSI {   99}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.700     1.700     1.700 peak    99 weight  0.10000E+01 volume  0.17612E-02 ppm1      3.082 ppm2      2.944 CV     1
 OR {   99}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI {  100}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.100     1.200     1.200 peak   100 weight  0.10000E+01 volume  0.15430E-02 ppm1      3.082 ppm2      3.506 CV     1
 OR {  100}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  101}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.800     1.800 peak   101 weight  0.10000E+01 volume  0.25525E-02 ppm1      3.082 ppm2      4.139 CV     1
 ASSI {  102}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.400     1.500     1.500 peak   102 weight  0.10000E+01 volume  0.40922E-02 ppm1      3.082 ppm2      1.397 CV     1
 OR {  102}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  103}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   103 weight  0.10000E+01 volume  0.47489E-02 ppm1      3.352 ppm2      4.163 CV     1
 OR {  103}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
 ASSI {  104}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HG11))
      3.300     1.300     1.300 peak   104 weight  0.10000E+01 volume  0.45702E-02 ppm1      3.352 ppm2      1.163 CV     1
 OR {  104}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 OR {  104}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI {  107}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.200     1.200     1.200 peak   107 weight  0.10000E+01 volume  0.67341E-02 ppm1      1.741 ppm2      1.374 CV     1
 ASSI {  108}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.200     0.600     0.600 peak   108 weight  0.10000E+01 volume  0.10249E-01 ppm1      1.741 ppm2      1.256 CV     1
 OR {  108}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  110}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.100     1.200     1.200 peak   110 weight  0.10000E+01 volume  0.16785E-02 ppm1      5.258 ppm2      2.006 CV     1
 ASSI {  111}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.900     1.000     1.000 peak   111 weight  0.10000E+01 volume  0.20019E-02 ppm1      5.258 ppm2      4.819 CV     1
 ASSI {  112}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 21   and name HG2%)
      2.500     0.800     0.800 peak   112 weight  0.10000E+01 volume  0.24244E-02 ppm1      0.564 ppm2     -0.079 CV     1
 ASSI {  113}
   (  segid "    " and resid 41   and name HG2%)
   (  segid "    " and resid 21   and name HG1%)
      1.900     0.500     0.500 peak   113 weight  0.10000E+01 volume  0.12871E-01 ppm1      0.564 ppm2      0.296 CV     1
 ASSI {  115}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   115 weight  0.10000E+01 volume  0.11162E-01 ppm1      0.564 ppm2      3.483 CV     1
 ASSI {  116}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   116 weight  0.10000E+01 volume  0.22737E-02 ppm1      0.564 ppm2      1.585 CV     1
 ASSI {  118}
   (( segid "    " and resid 41   and name HA  ))
   (  segid "    " and resid 41   and name HG1%)
      3.200     1.300     1.300 peak   118 weight  0.10000E+01 volume  0.12808E-02 ppm1      5.293 ppm2      0.694 CV     1
 ASSI {  119}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB  ))
      2.700     0.900     0.900 peak   119 weight  0.10000E+01 volume  0.27252E-02 ppm1      5.281 ppm2      1.702 CV     1
 ASSI {  120}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HB  ))
      2.300     0.600     0.600 peak   120 weight  0.10000E+01 volume  0.98093E-02 ppm1      0.564 ppm2      1.702 CV     1
 ASSI {  121}
   (  segid "    " and resid 41   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      2.300     0.700     0.700 peak   121 weight  0.10000E+01 volume  0.14113E-01 ppm1      0.564 ppm2      5.288 CV     1
 ASSI {  124}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.800     0.800 peak   124 weight  0.10000E+01 volume  0.50306E-02 ppm1      2.305 ppm2      1.913 CV     1
 OR {  124}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  124}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  124}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  125}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.900     1.100     1.100 peak   125 weight  0.10000E+01 volume  0.21590E-02 ppm1      2.294 ppm2      5.100 CV     1
 OR {  125}
   (( segid "    " and resid 42   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  129}
   (( segid "    " and resid 43   and name HB2 ))
   (  segid "    " and resid 19   and name HG2%)
      3.200     1.300     1.300 peak   129 weight  0.10000E+01 volume  0.17486E-02 ppm1      3.740 ppm2      0.577 CV     1
 OR {  129}
   (( segid "    " and resid 43   and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  131}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak   131 weight  0.10000E+01 volume  0.25539E-02 ppm1      3.740 ppm2      5.006 CV     1
 OR {  131}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  132}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak   132 weight  0.10000E+01 volume  0.32604E-02 ppm1      5.187 ppm2      5.100 CV     1
 ASSI {  133}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.000     1.000 peak   133 weight  0.10000E+01 volume  0.26354E-02 ppm1      3.658 ppm2      5.194 CV     1
 OR {  133}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  137}
   (( segid "    " and resid 49   and name HB  ))
   (  segid "    " and resid 49   and name HG2%)
      2.800     1.000     1.000 peak   137 weight  0.10000E+01 volume  0.33819E-02 ppm1      3.940 ppm2      1.163 CV     1
 ASSI {  138}
   (( segid "    " and resid 50   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   138 weight  0.10000E+01 volume  0.37989E-02 ppm1      1.564 ppm2      1.936 CV     1
 OR {  138}
   (( segid "    " and resid 50   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
 ASSI {  141}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 50   and name HD1%)
      2.500     0.800     0.800 peak   141 weight  0.10000E+01 volume  0.65439E-02 ppm1      1.023 ppm2      0.624 CV     1
 ASSI {  142}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.300     0.600     0.600 peak   142 weight  0.10000E+01 volume  0.76818E-02 ppm1      2.364 ppm2      1.022 CV     1
 ASSI {  143}
   (( segid "    " and resid 50   and name HG11))
   (  segid "    " and resid 50   and name HG2%)
      2.500     0.800     0.800 peak   143 weight  0.10000E+01 volume  0.74674E-02 ppm1      1.564 ppm2      1.022 CV     1
 OR {  143}
   (( segid "    " and resid 50   and name HG12))
   (  segid "    " and resid 50   and name HG2%)
 ASSI {  145}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG11))
      2.700     0.900     0.900 peak   145 weight  0.10000E+01 volume  0.26207E-02 ppm1      2.364 ppm2      1.561 CV     1
 OR {  145}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HG12))
 ASSI {  148}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      2.500     0.800     0.800 peak   148 weight  0.10000E+01 volume  0.57217E-02 ppm1      1.023 ppm2      4.421 CV     1
 ASSI {  149}
   (( segid "    " and resid 50   and name HB  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   149 weight  0.10000E+01 volume  0.16533E-02 ppm1      2.364 ppm2      4.421 CV     1
 ASSI {  151}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      2.900     1.000     1.000 peak   151 weight  0.10000E+01 volume  0.20260E-02 ppm1      5.117 ppm2      4.163 CV     1
 ASSI {  152}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
      2.700     0.900     0.900 peak   152 weight  0.10000E+01 volume  0.40725E-02 ppm1      3.846 ppm2      1.069 CV     1
 ASSI {  153}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
      2.900     1.100     1.100 peak   153 weight  0.10000E+01 volume  0.21251E-02 ppm1      5.117 ppm2      1.069 CV     1
 ASSI {  155}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   155 weight  0.10000E+01 volume  0.29655E-02 ppm1      3.858 ppm2      5.124 CV     1
 ASSI {  156}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak   156 weight  0.10000E+01 volume  0.22953E-02 ppm1      3.529 ppm2      0.811 CV     1
 OR {  156}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  157}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak   157 weight  0.10000E+01 volume  0.66999E-02 ppm1      3.529 ppm2      4.139 CV     1
 OR {  157}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI {  159}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   159 weight  0.10000E+01 volume  0.74481E-02 ppm1      3.082 ppm2      1.350 CV     1
 OR {  159}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  159}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  160}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.600     0.800     0.800 peak   160 weight  0.10000E+01 volume  0.44874E-02 ppm1      3.082 ppm2      1.444 CV     1
 OR {  160}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG1 ))
 OR {  160}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG2 ))
 OR {  160}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  161}
   (( segid "    " and resid 53   and name HD1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak   161 weight  0.10000E+01 volume  0.37402E-02 ppm1      3.082 ppm2      4.210 CV     1
 OR {  161}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  164}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   164 weight  0.10000E+01 volume  0.35851E-02 ppm1      2.929 ppm2      4.655 CV     1
 ASSI {  165}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     1.100     1.100 peak   165 weight  0.10000E+01 volume  0.23510E-02 ppm1      1.988 ppm2      4.655 CV     1
 ASSI {  167}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      3.200     1.300     1.300 peak   167 weight  0.10000E+01 volume  0.16451E-02 ppm1      2.788 ppm2      5.288 CV     1
 ASSI {  169}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.900     0.900 peak   169 weight  0.10000E+01 volume  0.42419E-02 ppm1      2.776 ppm2      5.147 CV     1
 ASSI {  170}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   170 weight  0.10000E+01 volume  0.39599E-02 ppm1      2.588 ppm2      5.147 CV     1
 ASSI {  171}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 29   and name HA2 ))
      2.800     1.000     1.000 peak   171 weight  0.10000E+01 volume  0.39078E-02 ppm1      0.729 ppm2      3.460 CV     1
 OR {  171}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 29   and name HA1 ))
 ASSI {  173}
   (  segid "    " and resid 57   and name HG1%)
   (  segid "    " and resid 31   and name HG2%)
      3.600     1.600     1.600 peak   173 weight  0.10000E+01 volume  0.27351E-02 ppm1      0.729 ppm2      1.163 CV     1
 ASSI {  174}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 57   and name HB  ))
      2.100     0.600     0.600 peak   174 weight  0.10000E+01 volume  0.14920E-01 ppm1      0.729 ppm2      1.796 CV     1
 ASSI {  175}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 58   and name HG11))
      3.900     1.900     1.900 peak   175 weight  0.10000E+01 volume  0.15114E-02 ppm1      0.729 ppm2      1.256 CV     1
 OR {  175}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 58   and name HG12))
 ASSI {  176}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   176 weight  0.10000E+01 volume  0.13857E-02 ppm1      0.729 ppm2      1.421 CV     1
 ASSI {  177}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.500     1.500     1.500 peak   177 weight  0.10000E+01 volume  0.19974E-02 ppm1      0.729 ppm2      1.983 CV     1
 OR {  177}
   (  segid "    " and resid 57   and name HG1%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  181}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      1.800     0.400     0.400 peak   181 weight  0.10000E+01 volume  0.29000E-01 ppm1      0.576 ppm2      0.694 CV     1
 ASSI {  182}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG12))
      2.300     0.600     0.600 peak   182 weight  0.10000E+01 volume  0.67326E-02 ppm1      0.576 ppm2      1.256 CV     1
 OR {  182}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HG11))
 ASSI {  183}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.500     0.500 peak   183 weight  0.10000E+01 volume  0.10554E-01 ppm1      0.588 ppm2      2.428 CV     1
 ASSI {  184}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.300     0.600     0.600 peak   184 weight  0.10000E+01 volume  0.64627E-02 ppm1      0.576 ppm2      4.069 CV     1
 ASSI {  185}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      3.600     1.600     1.600 peak   185 weight  0.10000E+01 volume  0.23167E-02 ppm1      0.576 ppm2      2.288 CV     1
 ASSI {  186}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 78   and name HG2%)
      2.500     0.800     0.800 peak   186 weight  0.10000E+01 volume  0.18109E-01 ppm1      0.576 ppm2      0.460 CV     1
 ASSI {  188}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 59   and name HB1 ))
      3.200     1.300     1.300 peak   188 weight  0.10000E+01 volume  0.18249E-02 ppm1      1.988 ppm2      1.842 CV     1
 OR {  188}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 59   and name HB1 ))
 ASSI {  190}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG2 ))
      2.800     1.000     1.000 peak   190 weight  0.10000E+01 volume  0.21432E-02 ppm1      1.153 ppm2      0.225 CV     1
 OR {  190}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG1 ))
 OR {  190}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  190}
   (( segid "    " and resid 60   and name HD1 ))
   (( segid "    " and resid 60   and name HG1 ))
 ASSI {  192}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG1 ))
      2.700     0.900     0.900 peak   192 weight  0.10000E+01 volume  0.52616E-02 ppm1      1.976 ppm2      0.952 CV     1
 OR {  192}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HG1 ))
 OR {  192}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HG2 ))
 OR {  192}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  194}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.500     0.800     0.800 peak   194 weight  0.10000E+01 volume  0.39459E-02 ppm1      2.117 ppm2      1.163 CV     1
 OR {  194}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  194}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD1 ))
 OR {  194}
   (( segid "    " and resid 60   and name HE1 ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  195}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   195 weight  0.10000E+01 volume  0.32561E-02 ppm1      1.729 ppm2      4.327 CV     1
 ASSI {  196}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   196 weight  0.10000E+01 volume  0.19398E-02 ppm1      1.282 ppm2      4.327 CV     1
 ASSI {  199}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak   199 weight  0.10000E+01 volume  0.28803E-02 ppm1     -0.306 ppm2      4.397 CV     1
 ASSI {  200}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 28   and name HA  ))
      3.100     1.200     1.200 peak   200 weight  0.10000E+01 volume  0.13987E-02 ppm1      0.035 ppm2      3.413 CV     1
 ASSI {  204}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.800     1.000     1.000 peak   204 weight  0.10000E+01 volume  0.20254E-02 ppm1      1.305 ppm2      0.014 CV     1
 ASSI {  207}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.500     0.800     0.800 peak   207 weight  0.10000E+01 volume  0.51129E-02 ppm1      1.305 ppm2      0.671 CV     1
 ASSI {  208}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HG  ))
      2.800     1.000     1.000 peak   208 weight  0.10000E+01 volume  0.31459E-02 ppm1      0.811 ppm2      0.671 CV     1
 ASSI {  209}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HG  ))
      2.200     0.600     0.600 peak   209 weight  0.10000E+01 volume  0.82258E-02 ppm1      0.035 ppm2      0.671 CV     1
 ASSI {  210}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HG  ))
      2.200     0.600     0.600 peak   210 weight  0.10000E+01 volume  0.66944E-02 ppm1     -0.306 ppm2      0.671 CV     1
 ASSI {  211}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak   211 weight  0.10000E+01 volume  0.34820E-02 ppm1      0.023 ppm2      0.788 CV     1
 ASSI {  212}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   212 weight  0.10000E+01 volume  0.34384E-02 ppm1     -0.306 ppm2      0.788 CV     1
 ASSI {  213}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HB2 ))
      2.900     1.100     1.100 peak   213 weight  0.10000E+01 volume  0.64078E-02 ppm1     -0.306 ppm2      1.280 CV     1
 ASSI {  214}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   214 weight  0.10000E+01 volume  0.28989E-02 ppm1      0.811 ppm2      4.538 CV     1
 ASSI {  215}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.100     1.200     1.200 peak   215 weight  0.10000E+01 volume  0.28341E-02 ppm1      1.305 ppm2      4.538 CV     1
 ASSI {  216}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   216 weight  0.10000E+01 volume  0.49002E-02 ppm1     -0.306 ppm2      4.538 CV     1
 ASSI {  217}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   217 weight  0.10000E+01 volume  0.22811E-02 ppm1      0.023 ppm2      4.538 CV     1
 ASSI {  218}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak   218 weight  0.10000E+01 volume  0.14007E-02 ppm1     -0.306 ppm2      0.952 CV     1
 ASSI {  219}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 76   and name HG1%)
      2.700     0.900     0.900 peak   219 weight  0.10000E+01 volume  0.48644E-02 ppm1     -0.306 ppm2      1.069 CV     1
 ASSI {  223}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HA  ))
      3.300     1.300     1.300 peak   223 weight  0.10000E+01 volume  0.21942E-02 ppm1      2.658 ppm2      5.124 CV     1
 ASSI {  224}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HA  ))
      2.900     1.000     1.000 peak   224 weight  0.10000E+01 volume  0.15574E-02 ppm1      3.670 ppm2      5.124 CV     1
 ASSI {  225}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      4.300     2.300     1.700 peak   225 weight  0.10000E+01 volume  0.15451E-02 ppm1      2.658 ppm2      3.155 CV     1
 ASSI {  226}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.400     1.500     1.500 peak   226 weight  0.10000E+01 volume  0.15309E-02 ppm1      5.117 ppm2      2.803 CV     1
 ASSI {  227}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.700     0.900     0.900 peak   227 weight  0.10000E+01 volume  0.20356E-02 ppm1      5.128 ppm2      2.921 CV     1
 ASSI {  229}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      4.000     2.000     2.000 peak   229 weight  0.10000E+01 volume  0.13277E-02 ppm1      1.694 ppm2      1.960 CV     1
 ASSI {  230}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 21   and name HB  ))
      2.800     1.000     1.000 peak   230 weight  0.10000E+01 volume  0.33350E-02 ppm1      1.847 ppm2      1.960 CV     1
 ASSI {  231}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 23   and name HA  ))
      3.000     1.100     1.100 peak   231 weight  0.10000E+01 volume  0.51971E-02 ppm1      1.000 ppm2      4.210 CV     1
 ASSI {  232}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 65   and name HD1%)
      3.300     1.300     1.300 peak   232 weight  0.10000E+01 volume  0.35592E-02 ppm1      3.752 ppm2      0.835 CV     1
 ASSI {  233}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      3.400     1.400     1.400 peak   233 weight  0.10000E+01 volume  0.29873E-02 ppm1      1.694 ppm2      0.835 CV     1
 ASSI {  234}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
      2.700     0.900     0.900 peak   234 weight  0.10000E+01 volume  0.26631E-02 ppm1      1.435 ppm2      0.835 CV     1
 ASSI {  235}
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 65   and name HD2%)
      2.400     0.700     0.700 peak   235 weight  0.10000E+01 volume  0.52818E-02 ppm1      1.694 ppm2      0.999 CV     1
 ASSI {  236}
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD2%)
      3.400     1.400     1.400 peak   236 weight  0.10000E+01 volume  0.40674E-02 ppm1      1.423 ppm2      0.999 CV     1
 ASSI {  241}
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.500     0.800     0.800 peak   241 weight  0.10000E+01 volume  0.61374E-02 ppm1      1.835 ppm2      1.702 CV     1
 ASSI {  243}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HG  ))
      2.500     0.800     0.800 peak   243 weight  0.10000E+01 volume  0.46733E-02 ppm1      1.423 ppm2      1.842 CV     1
 ASSI {  244}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HG  ))
      2.100     0.600     0.600 peak   244 weight  0.10000E+01 volume  0.12191E-01 ppm1      1.000 ppm2      1.842 CV     1
 ASSI {  245}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.400     0.700     0.700 peak   245 weight  0.10000E+01 volume  0.49600E-02 ppm1      1.423 ppm2      3.741 CV     1
 ASSI {  246}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.800     1.000     1.000 peak   246 weight  0.10000E+01 volume  0.46373E-02 ppm1      1.694 ppm2      3.741 CV     1
 ASSI {  249}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.800     1.000     1.000 peak   249 weight  0.10000E+01 volume  0.19025E-02 ppm1      3.164 ppm2      3.671 CV     1
 ASSI {  250}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 63   and name HB1 ))
      2.900     1.000     1.000 peak   250 weight  0.10000E+01 volume  0.18889E-02 ppm1      2.835 ppm2      3.671 CV     1
 ASSI {  251}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   251 weight  0.10000E+01 volume  0.30377E-02 ppm1      2.835 ppm2      4.702 CV     1
 ASSI {  252}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak   252 weight  0.10000E+01 volume  0.25384E-02 ppm1      3.176 ppm2      4.702 CV     1
 ASSI {  256}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 20   and name HG2%)
      3.800     1.900     1.900 peak   256 weight  0.10000E+01 volume  0.14654E-02 ppm1      0.341 ppm2      0.928 CV     1
 ASSI {  259}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      2.400     0.700     0.700 peak   259 weight  0.10000E+01 volume  0.84056E-02 ppm1      0.341 ppm2      0.671 CV     1
 ASSI {  260}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 68   and name HD1%)
      3.300     1.300     1.300 peak   260 weight  0.10000E+01 volume  0.30443E-02 ppm1      1.576 ppm2      0.694 CV     1
 ASSI {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG11))
      2.700     0.900     0.900 peak   263 weight  0.10000E+01 volume  0.54173E-02 ppm1      0.329 ppm2      1.421 CV     1
 OR {  263}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HG12))
 ASSI {  264}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG11))
      2.500     0.800     0.800 peak   264 weight  0.10000E+01 volume  0.56734E-02 ppm1      1.576 ppm2      1.444 CV     1
 OR {  264}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HG12))
 ASSI {  265}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   265 weight  0.10000E+01 volume  0.13841E-01 ppm1      0.329 ppm2      1.561 CV     1
 ASSI {  266}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   266 weight  0.10000E+01 volume  0.82328E-02 ppm1      0.341 ppm2      4.303 CV     1
 ASSI {  270}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 9    and name HD2%)
      2.900     1.100     1.100 peak   270 weight  0.10000E+01 volume  0.29744E-02 ppm1      3.387 ppm2      0.460 CV     1
 ASSI {  271}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HG  ))
      3.400     1.400     1.400 peak   271 weight  0.10000E+01 volume  0.14387E-02 ppm1      3.387 ppm2      1.585 CV     1
 ASSI {  272}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak   272 weight  0.10000E+01 volume  0.28573E-02 ppm1      3.387 ppm2      1.960 CV     1
 OR {  272}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  273}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HG2%)
      2.600     0.800     0.800 peak   273 weight  0.10000E+01 volume  0.52451E-02 ppm1      3.387 ppm2      0.835 CV     1
 ASSI {  274}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 71   and name HG1%)
      2.900     1.100     1.100 peak   274 weight  0.10000E+01 volume  0.32649E-02 ppm1      3.387 ppm2      0.952 CV     1
 ASSI {  279}
   (( segid "    " and resid 73   and name HE2 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   279 weight  0.10000E+01 volume  0.75011E-02 ppm1      2.905 ppm2      1.725 CV     1
 OR {  279}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  279}
   (( segid "    " and resid 73   and name HE2 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR {  279}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HB1 ))
 ASSI {  280}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.300     1.300 peak   280 weight  0.10000E+01 volume  0.23472E-02 ppm1      2.905 ppm2      4.889 CV     1
 ASSI {  281}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 74   and name HD2 ))
      3.200     1.300     1.300 peak   281 weight  0.10000E+01 volume  0.24512E-02 ppm1      2.905 ppm2      3.460 CV     1
 OR {  281}
   (( segid "    " and resid 73   and name HE1 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  282}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   282 weight  0.10000E+01 volume  0.38223E-02 ppm1      3.740 ppm2      4.210 CV     1
 ASSI {  283}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.500     1.500 peak   283 weight  0.10000E+01 volume  0.20006E-02 ppm1      3.458 ppm2      1.749 CV     1
 OR {  283}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HB1 ))
 OR {  283}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HB2 ))
 OR {  283}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HB2 ))
 ASSI {  285}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.800     0.800 peak   285 weight  0.10000E+01 volume  0.26880E-02 ppm1      3.458 ppm2      4.889 CV     1
 OR {  285}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  289}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     0.900     0.900 peak   289 weight  0.10000E+01 volume  0.26032E-02 ppm1      1.741 ppm2      1.163 CV     1
 OR {  289}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB2 ))
 OR {  289}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HB1 ))
 OR {  289}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  291}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD1 ))
      2.800     1.000     1.000 peak   291 weight  0.10000E+01 volume  0.20408E-02 ppm1      1.423 ppm2      3.460 CV     1
 OR {  291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
 OR {  291}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD1 ))
 OR {  291}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  292}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.600     0.800     0.800 peak   292 weight  0.10000E+01 volume  0.53565E-02 ppm1      1.647 ppm2      0.952 CV     1
 OR {  292}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  294}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.900     1.100     1.100 peak   294 weight  0.10000E+01 volume  0.22425E-02 ppm1      1.647 ppm2      4.889 CV     1
 OR {  294}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  296}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HG1%)
      3.700     1.700     1.700 peak   296 weight  0.10000E+01 volume  0.15488E-02 ppm1      1.635 ppm2      1.069 CV     1
 OR {  296}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HG1%)
 ASSI {  297}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 76   and name HG2%)
      3.900     1.900     1.900 peak   297 weight  0.10000E+01 volume  0.16152E-02 ppm1      1.635 ppm2      1.256 CV     1
 OR {  297}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  299}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HB1 ))
      4.400     2.500     1.600 peak   299 weight  0.10000E+01 volume  0.13542E-02 ppm1      1.270 ppm2      2.850 CV     1
 OR {  299}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  301}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      2.900     1.100     1.100 peak   301 weight  0.10000E+01 volume  0.59897E-02 ppm1      1.270 ppm2      0.694 CV     1
 ASSI {  302}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 60   and name HD1 ))
      2.400     0.700     0.700 peak   302 weight  0.10000E+01 volume  0.15411E-01 ppm1      1.270 ppm2      1.163 CV     1
 OR {  302}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  303}
   (  segid "    " and resid 76   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.400     0.700     0.700 peak   303 weight  0.10000E+01 volume  0.36419E-02 ppm1      1.270 ppm2     -0.314 CV     1
 ASSI {  305}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      3.000     1.100     1.100 peak   305 weight  0.10000E+01 volume  0.21098E-02 ppm1      5.611 ppm2      4.538 CV     1
 ASSI {  306}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   306 weight  0.10000E+01 volume  0.45404E-02 ppm1      1.270 ppm2      4.538 CV     1
 ASSI {  307}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG1%)
      2.400     0.700     0.700 peak   307 weight  0.10000E+01 volume  0.42054E-02 ppm1      2.470 ppm2      1.092 CV     1
 ASSI {  309}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
      2.400     0.700     0.700 peak   309 weight  0.10000E+01 volume  0.47414E-02 ppm1      2.470 ppm2      1.256 CV     1
 ASSI {  311}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HA  ))
      2.400     0.700     0.700 peak   311 weight  0.10000E+01 volume  0.45164E-02 ppm1      2.470 ppm2      5.616 CV     1
 ASSI {  312}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak   312 weight  0.10000E+01 volume  0.43439E-02 ppm1      1.270 ppm2      5.616 CV     1
 ASSI {  313}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   313 weight  0.10000E+01 volume  0.44835E-02 ppm1      5.893 ppm2      4.960 CV     1
 ASSI {  314}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.600     0.800     0.800 peak   314 weight  0.10000E+01 volume  0.25677E-02 ppm1      5.881 ppm2      2.288 CV     1
 ASSI {  315}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.100     1.200     1.200 peak   315 weight  0.10000E+01 volume  0.24305E-02 ppm1      5.893 ppm2      2.452 CV     1
 ASSI {  319}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HG11))
      3.400     1.400     1.400 peak   319 weight  0.10000E+01 volume  0.23825E-02 ppm1      2.294 ppm2      0.647 CV     1
 OR {  319}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  322}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   322 weight  0.10000E+01 volume  0.15023E-02 ppm1      5.881 ppm2      0.671 CV     1
 OR {  322}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  323}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      3.800     1.800     1.800 peak   323 weight  0.10000E+01 volume  0.15673E-02 ppm1      1.494 ppm2      0.436 CV     1
 OR {  323}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  328}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      2.400     0.700     0.700 peak   328 weight  0.10000E+01 volume  0.46988E-02 ppm1      1.341 ppm2      0.553 CV     1
 ASSI {  329}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      1.800     0.400     0.400 peak   329 weight  0.10000E+01 volume  0.24757E-01 ppm1      0.553 ppm2      0.671 CV     1
 OR {  329}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  330}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      2.100     0.500     0.500 peak   330 weight  0.10000E+01 volume  0.10670E-01 ppm1      0.459 ppm2      0.671 CV     1
 OR {  330}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  332}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   332 weight  0.10000E+01 volume  0.66272E-02 ppm1      0.459 ppm2      1.327 CV     1
 ASSI {  335}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   335 weight  0.10000E+01 volume  0.20514E-02 ppm1      1.341 ppm2      4.819 CV     1
 ASSI {  336}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.600     0.600 peak   336 weight  0.10000E+01 volume  0.62769E-02 ppm1      0.459 ppm2      4.819 CV     1
 ASSI {  337}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.800     1.800     1.800 peak   337 weight  0.10000E+01 volume  0.15104E-02 ppm1      0.553 ppm2      4.819 CV     1
 ASSI {  338}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
      3.800     1.800     1.800 peak   338 weight  0.10000E+01 volume  0.17856E-02 ppm1      0.459 ppm2      1.983 CV     1
 OR {  338}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  339}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 80   and name HG2%)
      2.700     0.900     0.900 peak   339 weight  0.10000E+01 volume  0.42213E-02 ppm1      0.459 ppm2      0.999 CV     1
 ASSI {  345}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
      2.300     0.700     0.700 peak   345 weight  0.10000E+01 volume  0.92810E-02 ppm1      1.000 ppm2      4.139 CV     1
 ASSI {  346}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 80   and name HA  ))
      2.600     0.900     0.900 peak   346 weight  0.10000E+01 volume  0.48764E-02 ppm1      1.000 ppm2      4.936 CV     1
 ASSI {  347}
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   347 weight  0.10000E+01 volume  0.53217E-02 ppm1      1.564 ppm2      4.303 CV     1
 OR {  347}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
 ASSI {  348}
   (( segid "    " and resid 86   and name HB2 ))
   (  segid "    " and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   348 weight  0.10000E+01 volume  0.87862E-02 ppm1      1.564 ppm2      0.835 CV     1
 OR {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  349}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   349 weight  0.10000E+01 volume  0.34037E-02 ppm1      1.576 ppm2      4.233 CV     1
 OR {  349}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  360}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HD2 ))
      3.100     1.200     1.200 peak   360 weight  0.10000E+01 volume  0.29763E-02 ppm1      0.653 ppm2      1.665 CV     1
 OR {  360}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HD1 ))
 OR {  360}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HD1 ))
 OR {  360}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  361}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 59   and name HB2 ))
      3.100     1.200     1.200 peak   361 weight  0.10000E+01 volume  0.31449E-02 ppm1      0.653 ppm2      1.428 CV     1
 OR {  361}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  364}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 77   and name HA  ))
      2.800     1.000     1.000 peak   364 weight  0.10000E+01 volume  0.46577E-02 ppm1      0.653 ppm2      5.884 CV     1
 ASSI {  365}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.900     1.100     1.100 peak   365 weight  0.10000E+01 volume  0.27379E-02 ppm1      1.913 ppm2      2.268 CV     1
 ASSI {  366}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
      2.300     0.700     0.700 peak   366 weight  0.10000E+01 volume  0.63805E-02 ppm1      0.653 ppm2      2.246 CV     1
 OR {  366}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  368}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 78   and name HD1%)
      3.800     1.800     1.800 peak   368 weight  0.10000E+01 volume  0.16525E-02 ppm1      1.891 ppm2      0.524 CV     1
 ASSI {  369}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 79   and name HA  ))
      3.100     1.200     1.200 peak   369 weight  0.10000E+01 volume  0.42626E-02 ppm1      0.653 ppm2      4.851 CV     1
 OR {  369}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  370}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 79   and name HG2 ))
      2.500     0.800     0.800 peak   370 weight  0.10000E+01 volume  0.75854E-02 ppm1      1.913 ppm2      1.794 CV     1
 OR {  370}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 79   and name HG1 ))
 ASSI {  373}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
      2.100     0.500     0.500 peak   373 weight  0.10000E+01 volume  0.19154E-01 ppm1      0.417 ppm2      0.503 CV     1
 ASSI {  374}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 80   and name HB  ))
      3.400     1.400     1.400 peak   374 weight  0.10000E+01 volume  0.15655E-02 ppm1      0.417 ppm2      4.119 CV     1
 ASSI {  375}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 80   and name HG2%)
      2.500     0.800     0.800 peak   375 weight  0.10000E+01 volume  0.83704E-02 ppm1      0.417 ppm2      0.976 CV     1
 ASSI {  376}
   (( segid "    " and resid 7    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      3.400     1.500     1.500 peak   376 weight  0.10000E+01 volume  0.19663E-02 ppm1      2.817 ppm2      0.912 CV     1
 OR {  376}
   (( segid "    " and resid 7    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  378}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   378 weight  0.10000E+01 volume  0.34274E-02 ppm1      2.892 ppm2      4.894 CV     1
 OR {  378}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  379}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.100     1.200     1.200 peak   379 weight  0.10000E+01 volume  0.39592E-02 ppm1      2.903 ppm2      3.731 CV     1
 OR {  379}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  382}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   382 weight  0.10000E+01 volume  0.18430E-02 ppm1      0.750 ppm2      0.287 CV     1
 ASSI {  383}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      3.400     1.400     1.400 peak   383 weight  0.10000E+01 volume  0.19518E-02 ppm1      0.589 ppm2      3.731 CV     1
 OR {  383}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 43   and name HB1 ))
 ASSI {  387}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 68   and name HG2%)
      3.500     1.500     1.500 peak   387 weight  0.10000E+01 volume  0.37427E-02 ppm1      1.956 ppm2      0.309 CV     1
 OR {  387}
   (( segid "    " and resid 18   and name HG1 ))
   (  segid "    " and resid 68   and name HG2%)
 ASSI {  389}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 9    and name HD2%)
      2.600     0.900     0.900 peak   389 weight  0.10000E+01 volume  0.78608E-02 ppm1      0.309 ppm2      0.438 CV     1
 OR {  389}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 9    and name HD1%)
 ASSI {  390}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 12   and name HD1%)
      2.000     0.500     0.500 peak   390 weight  0.10000E+01 volume  0.23089E-01 ppm1      0.298 ppm2      0.546 CV     1
 ASSI {  392}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   392 weight  0.10000E+01 volume  0.28843E-02 ppm1      0.298 ppm2      5.260 CV     1
 ASSI {  393}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 41   and name HB  ))
      2.500     0.800     0.800 peak   393 weight  0.10000E+01 volume  0.59452E-02 ppm1      0.298 ppm2      1.708 CV     1
 ASSI {  394}
   (  segid "    " and resid 19   and name HG1%)
   (  segid "    " and resid 41   and name HG1%)
      2.400     0.700     0.700 peak   394 weight  0.10000E+01 volume  0.81797E-02 ppm1      0.298 ppm2      0.675 CV     1
 ASSI {  396}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      4.200     2.200     1.800 peak   396 weight  0.10000E+01 volume  0.19138E-02 ppm1      0.901 ppm2      5.281 CV     1
 ASSI {  399}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
      2.900     1.100     1.100 peak   399 weight  0.10000E+01 volume  0.27103E-02 ppm1     -0.079 ppm2      2.526 CV     1
 OR {  399}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
 ASSI {  400}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 41   and name HA  ))
      3.600     1.600     1.600 peak   400 weight  0.10000E+01 volume  0.22569E-02 ppm1     -0.079 ppm2      5.260 CV     1
 ASSI {  402}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak   402 weight  0.10000E+01 volume  0.70937E-02 ppm1     -0.079 ppm2      3.731 CV     1
 ASSI {  407}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.200     1.300     1.300 peak   407 weight  0.10000E+01 volume  0.21184E-02 ppm1      2.784 ppm2      1.816 CV     1
 OR {  407}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 42   and name HB2 ))
 OR {  407}
   (( segid "    " and resid 22   and name HE2 ))
   (( segid "    " and resid 42   and name HB1 ))
 OR {  407}
   (( segid "    " and resid 22   and name HE1 ))
   (( segid "    " and resid 42   and name HB1 ))
 ASSI {  409}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.800     0.800 peak   409 weight  0.10000E+01 volume  0.45829E-02 ppm1      1.041 ppm2      4.657 CV     1
 ASSI {  410}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.800     1.800 peak   410 weight  0.10000E+01 volume  0.32815E-02 ppm1      1.041 ppm2      2.397 CV     1
 ASSI {  411}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.400     1.400 peak   411 weight  0.10000E+01 volume  0.78443E-02 ppm1      1.041 ppm2      0.567 CV     1
 ASSI {  413}
   (  segid "    " and resid 26   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
      3.100     1.200     1.200 peak   413 weight  0.10000E+01 volume  0.10353E-01 ppm1      1.041 ppm2      0.675 CV     1
 ASSI {  414}
   (  segid "    " and resid 26   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      3.300     1.400     1.400 peak   414 weight  0.10000E+01 volume  0.54151E-02 ppm1      1.041 ppm2     -0.337 CV     1
 ASSI {  417}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 58   and name HG2%)
      3.200     1.300     1.300 peak   417 weight  0.10000E+01 volume  0.42354E-02 ppm1      1.977 ppm2      0.567 CV     1
 OR {  417}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  418}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   418 weight  0.10000E+01 volume  0.61520E-02 ppm1      1.977 ppm2      4.313 CV     1
 OR {  418}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  419}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   419 weight  0.10000E+01 volume  0.22890E-02 ppm1      1.977 ppm2      4.549 CV     1
 OR {  419}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  420}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 61   and name HG  ))
      3.000     1.100     1.100 peak   420 weight  0.10000E+01 volume  0.39727E-02 ppm1      1.977 ppm2      0.653 CV     1
 OR {  420}
   (( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 61   and name HG  ))
 ASSI {  421}
   (( segid "    " and resid 28   and name HG1 ))
   (  segid "    " and resid 61   and name HD2%)
      4.000     2.000     2.000 peak   421 weight  0.10000E+01 volume  0.15650E-02 ppm1      1.977 ppm2     -0.315 CV     1
 OR {  421}
   (( segid "    " and resid 28   and name HG2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI {  425}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.100     1.100 peak   425 weight  0.10000E+01 volume  0.26326E-02 ppm1      0.804 ppm2      2.677 CV     1
 OR {  425}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 36   and name HB2 ))
 ASSI {  426}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.600     1.600     1.600 peak   426 weight  0.10000E+01 volume  0.28204E-02 ppm1      2.182 ppm2      2.655 CV     1
 OR {  426}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 36   and name HB1 ))
 ASSI {  427}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 37   and name HA  ))
      2.800     1.000     1.000 peak   427 weight  0.10000E+01 volume  0.24598E-02 ppm1      0.815 ppm2      4.140 CV     1
 ASSI {  428}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 52   and name HB2 ))
      3.200     1.300     1.300 peak   428 weight  0.10000E+01 volume  0.20799E-02 ppm1      0.815 ppm2      3.495 CV     1
 OR {  428}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI {  429}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.700     1.700 peak   429 weight  0.10000E+01 volume  0.25322E-02 ppm1      0.815 ppm2      5.131 CV     1
 ASSI {  430}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak   430 weight  0.10000E+01 volume  0.15263E-02 ppm1      0.815 ppm2      4.076 CV     1
 ASSI {  431}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HD1%)
      1.900     0.400     0.400 peak   431 weight  0.10000E+01 volume  0.16352E-01 ppm1      0.815 ppm2      0.675 CV     1
 ASSI {  432}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 58   and name HD1%)
      3.900     1.900     1.900 peak   432 weight  0.10000E+01 volume  0.19384E-02 ppm1      2.182 ppm2      0.675 CV     1
 ASSI {  433}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.400     1.500     1.500 peak   433 weight  0.10000E+01 volume  0.63529E-02 ppm1      0.804 ppm2      0.546 CV     1
 ASSI {  434}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 78   and name HG2%)
      3.600     1.600     1.600 peak   434 weight  0.10000E+01 volume  0.28913E-02 ppm1      0.815 ppm2      0.438 CV     1
 ASSI {  435}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   435 weight  0.10000E+01 volume  0.19802E-02 ppm1      2.666 ppm2      2.375 CV     1
 OR {  435}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 25   and name HB1 ))
 OR {  435}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  436}
   (( segid "    " and resid 36   and name HB1 ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   436 weight  0.10000E+01 volume  0.16818E-02 ppm1      2.687 ppm2      4.808 CV     1
 OR {  436}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
 ASSI {  438}
   (( segid "    " and resid 36   and name HB1 ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     1.900     1.900 peak   438 weight  0.10000E+01 volume  0.22699E-02 ppm1      2.677 ppm2      0.782 CV     1
 OR {  438}
   (( segid "    " and resid 36   and name HB2 ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI {  439}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 7    and name HD% )
      3.400     1.400     1.400 peak   439 weight  0.10000E+01 volume  0.15977E-02 ppm1      1.224 ppm2      7.455 CV     1
 ASSI {  440}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   440 weight  0.10000E+01 volume  0.44075E-02 ppm1      0.793 ppm2      3.495 CV     1
 OR {  440}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  441}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 7    and name HB1 ))
      2.900     1.100     1.100 peak   441 weight  0.10000E+01 volume  0.36036E-02 ppm1      1.224 ppm2      2.870 CV     1
 OR {  441}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  442}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 50   and name HG2%)
      2.600     0.800     0.800 peak   442 weight  0.10000E+01 volume  0.62164E-02 ppm1      0.793 ppm2      1.041 CV     1
 ASSI {  444}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 50   and name HG2%)
      2.700     0.900     0.900 peak   444 weight  0.10000E+01 volume  0.24845E-02 ppm1      1.934 ppm2      0.998 CV     1
 ASSI {  446}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.900     1.100     1.100 peak   446 weight  0.10000E+01 volume  0.19636E-02 ppm1      1.213 ppm2     -0.337 CV     1
 ASSI {  450}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      4.000     2.100     2.000 peak   450 weight  0.10000E+01 volume  0.23183E-02 ppm1      1.224 ppm2      1.342 CV     1
 ASSI {  453}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 78   and name HD1%)
      3.000     1.200     1.200 peak   453 weight  0.10000E+01 volume  0.33318E-02 ppm1      1.224 ppm2      0.546 CV     1
 ASSI {  457}
   (  segid "    " and resid 41   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      3.800     1.800     1.800 peak   457 weight  0.10000E+01 volume  0.16305E-02 ppm1      0.686 ppm2      4.679 CV     1
 ASSI {  461}
   (  segid "    " and resid 41   and name HG1%)
   (  segid "    " and resid 48   and name HG2%)
      2.700     0.900     0.900 peak   461 weight  0.10000E+01 volume  0.88347E-02 ppm1      0.686 ppm2      0.782 CV     1
 ASSI {  467}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      3.800     1.800     1.800 peak   467 weight  0.10000E+01 volume  0.15267E-02 ppm1      1.783 ppm2      5.195 CV     1
 OR {  467}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  474}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 40   and name HA  ))
      3.200     1.300     1.300 peak   474 weight  0.10000E+01 volume  0.33672E-02 ppm1      1.159 ppm2      5.238 CV     1
 ASSI {  475}
   (  segid "    " and resid 50   and name HG2%)
   (  segid "    " and resid 7    and name HE% )
      3.800     1.800     1.800 peak   475 weight  0.10000E+01 volume  0.17887E-02 ppm1      1.008 ppm2      7.326 CV     1
 ASSI {  478}
   (( segid "    " and resid 50   and name HB  ))
   (  segid "    " and resid 38   and name HD1%)
      3.800     1.800     1.800 peak   478 weight  0.10000E+01 volume  0.18423E-02 ppm1      2.354 ppm2      0.782 CV     1
 ASSI {  482}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.000     1.100     1.100 peak   482 weight  0.10000E+01 volume  0.40232E-02 ppm1      1.062 ppm2      3.344 CV     1
 OR {  482}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  484}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
      3.300     1.300     1.300 peak   484 weight  0.10000E+01 volume  0.25480E-02 ppm1      2.580 ppm2      5.260 CV     1
 ASSI {  486}
   (  segid "    " and resid 58   and name HD1%)
   (( segid "    " and resid 26   and name HB  ))
      2.500     0.800     0.800 peak   486 weight  0.10000E+01 volume  0.16087E-02 ppm1      0.686 ppm2      2.268 CV     1
 ASSI {  487}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 26   and name HB  ))
      3.500     1.600     1.600 peak   487 weight  0.10000E+01 volume  0.20775E-02 ppm1      0.567 ppm2      2.268 CV     1
 ASSI {  489}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 26   and name HG1%)
      2.000     0.500     0.500 peak   489 weight  0.10000E+01 volume  0.10321E-01 ppm1      0.686 ppm2      1.041 CV     1
 ASSI {  490}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak   490 weight  0.10000E+01 volume  0.18749E-02 ppm1      0.567 ppm2      4.377 CV     1
 ASSI {  492}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 28   and name HA  ))
      2.900     1.100     1.100 peak   492 weight  0.10000E+01 volume  0.22769E-02 ppm1      2.418 ppm2      3.387 CV     1
 ASSI {  495}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 32   and name HG2%)
      4.100     2.100     1.900 peak   495 weight  0.10000E+01 volume  0.18674E-02 ppm1      0.578 ppm2      0.804 CV     1
 ASSI {  496}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 32   and name HG2%)
      2.000     0.500     0.500 peak   496 weight  0.10000E+01 volume  0.10338E-01 ppm1      0.686 ppm2      0.782 CV     1
 ASSI {  498}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 38   and name HG2%)
      2.400     0.700     0.700 peak   498 weight  0.10000E+01 volume  0.85822E-02 ppm1      0.578 ppm2      1.235 CV     1
 ASSI {  499}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.300     0.700     0.700 peak   499 weight  0.10000E+01 volume  0.93677E-02 ppm1      0.686 ppm2      1.235 CV     1
 ASSI {  500}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak   500 weight  0.10000E+01 volume  0.24413E-02 ppm1      2.408 ppm2      1.235 CV     1
 ASSI {  501}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   501 weight  0.10000E+01 volume  0.20566E-02 ppm1      0.567 ppm2      4.528 CV     1
 ASSI {  502}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 61   and name HG  ))
      2.000     0.500     0.500 peak   502 weight  0.10000E+01 volume  0.15385E-01 ppm1      0.567 ppm2      0.653 CV     1
 ASSI {  503}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 61   and name HD2%)
      2.200     0.600     0.600 peak   503 weight  0.10000E+01 volume  0.78138E-02 ppm1      0.567 ppm2     -0.337 CV     1
 ASSI {  504}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   504 weight  0.10000E+01 volume  0.25047E-02 ppm1      0.578 ppm2      4.786 CV     1
 ASSI {  505}
   (  segid "    " and resid 58   and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      3.100     1.200     1.200 peak   505 weight  0.10000E+01 volume  0.57564E-02 ppm1      0.686 ppm2      0.481 CV     1
 ASSI {  507}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   507 weight  0.10000E+01 volume  0.15917E-02 ppm1      2.418 ppm2      0.438 CV     1
 ASSI {  512}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG1 ))
      2.700     0.900     0.900 peak   512 weight  0.10000E+01 volume  0.29753E-02 ppm1      1.278 ppm2      0.912 CV     1
 OR {  512}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  514}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 77   and name HB2 ))
      4.700     2.800     1.300 peak   514 weight  0.10000E+01 volume  0.16147E-02 ppm1      1.278 ppm2      2.246 CV     1
 ASSI {  516}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 38   and name HG2%)
      3.200     1.300     1.300 peak   516 weight  0.10000E+01 volume  0.38506E-02 ppm1      0.664 ppm2      1.256 CV     1
 ASSI {  523}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      3.400     1.400     1.400 peak   523 weight  0.10000E+01 volume  0.41364E-02 ppm1      0.330 ppm2      4.958 CV     1
 ASSI {  525}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      2.400     0.700     0.700 peak   525 weight  0.10000E+01 volume  0.57726E-02 ppm1      0.330 ppm2      1.816 CV     1
 OR {  525}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  526}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   526 weight  0.10000E+01 volume  0.18073E-02 ppm1      0.686 ppm2      4.679 CV     1
 ASSI {  527}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   527 weight  0.10000E+01 volume  0.31495E-02 ppm1      0.330 ppm2      4.829 CV     1
 ASSI {  528}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak   528 weight  0.10000E+01 volume  0.57709E-02 ppm1      0.675 ppm2      4.808 CV     1
 ASSI {  531}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HG1 ))
      3.300     1.300     1.300 peak   531 weight  0.10000E+01 volume  0.22723E-02 ppm1      1.730 ppm2      2.418 CV     1
 OR {  531}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HG1 ))
 OR {  531}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HG2 ))
 ASSI {  532}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.900     0.900 peak   532 weight  0.10000E+01 volume  0.30751E-02 ppm1      0.309 ppm2      1.407 CV     1
 OR {  532}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  533}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
      2.600     0.800     0.800 peak   533 weight  0.10000E+01 volume  0.50612E-02 ppm1      1.730 ppm2      2.892 CV     1
 OR {  533}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  533}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
 ASSI {  539}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 7    and name HD% )
      3.000     1.100     1.100 peak   539 weight  0.10000E+01 volume  0.17124E-02 ppm1      1.073 ppm2      7.455 CV     1
 ASSI {  540}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 7    and name HB1 ))
      2.300     0.700     0.700 peak   540 weight  0.10000E+01 volume  0.49243E-02 ppm1      1.073 ppm2      3.473 CV     1
 OR {  540}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  544}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.600     0.600 peak   544 weight  0.10000E+01 volume  0.10269E-01 ppm1      1.073 ppm2      1.213 CV     1
 ASSI {  545}
   (  segid "    " and resid 76   and name HG1%)
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak   545 weight  0.10000E+01 volume  0.93474E-02 ppm1      1.073 ppm2      0.782 CV     1
 ASSI {  546}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 61   and name HG  ))
      3.400     1.400     1.400 peak   546 weight  0.10000E+01 volume  0.19225E-02 ppm1      2.461 ppm2      0.675 CV     1
 ASSI {  553}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      2.500     0.800     0.800 peak   553 weight  0.10000E+01 volume  0.61544E-02 ppm1      1.331 ppm2      0.417 CV     1
 ASSI {  554}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 7    and name HB1 ))
      3.100     1.200     1.200 peak   554 weight  0.10000E+01 volume  0.20178E-02 ppm1      0.546 ppm2      3.473 CV     1
 OR {  554}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  557}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak   557 weight  0.10000E+01 volume  0.23705E-02 ppm1      0.460 ppm2      0.804 CV     1
 ASSI {  558}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
      2.500     0.800     0.800 peak   558 weight  0.10000E+01 volume  0.58680E-02 ppm1      0.535 ppm2      0.782 CV     1
 ASSI {  559}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HA1 ))
      2.500     0.800     0.800 peak   559 weight  0.10000E+01 volume  0.47952E-02 ppm1      0.449 ppm2      3.990 CV     1
 OR {  559}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HA2 ))
 ASSI {  561}
   (( segid "    " and resid 79   and name HG2 ))
   (  segid "    " and resid 5    and name HG2%)
      3.900     1.900     1.900 peak   561 weight  0.10000E+01 volume  0.18060E-02 ppm1      1.794 ppm2      0.417 CV     1
 OR {  561}
   (( segid "    " and resid 79   and name HG1 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI {  563}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 56   and name HA1 ))
      3.000     1.100     1.100 peak   563 weight  0.10000E+01 volume  0.19214E-02 ppm1      0.987 ppm2      4.011 CV     1
 OR {  563}
   (  segid "    " and resid 80   and name HG2%)
   (( segid "    " and resid 56   and name HA2 ))
 ASSI {   22}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak    22 weight  0.10000E+01 volume  0.21174E-02 ppm1      3.458 ppm2      3.764 CV     1
 OR {   22}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {   37}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 55   and name HB2 ))
      4.100     2.100     1.900 peak    37 weight  0.10000E+01 volume  0.55996E-03 ppm1      2.905 ppm2      2.616 CV     1
 ASSI {   51}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 64   and name HD21))
      3.300     1.400     1.400 peak    51 weight  0.10000E+01 volume  0.75591E-03 ppm1      2.941 ppm2      6.952 CV     1
 OR {   51}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 64   and name HD21))
 ASSI {   66}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HG2 ))
      3.400     1.400     1.400 peak    66 weight  0.10000E+01 volume  0.70006E-03 ppm1      1.564 ppm2      2.171 CV     1
 OR {   66}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HG2 ))
 OR {   66}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 87   and name HG1 ))
 OR {   66}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 87   and name HG1 ))
 ASSI {   81}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HD1 ))
      2.900     1.000     1.000 peak    81 weight  0.10000E+01 volume  0.10120E-02 ppm1      2.941 ppm2      3.483 CV     1
 OR {   81}
   (( segid "    " and resid 8    and name HE2 ))
   (( segid "    " and resid 74   and name HD2 ))
 OR {   81}
   (( segid "    " and resid 8    and name HE1 ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  106}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.300     0.500 peak   106 weight  0.10000E+01 volume  0.78529E-02 ppm1      1.423 ppm2      1.702 CV     1
 ASSI {  110}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 45   and name HE2 ))
      3.200     1.300     1.300 peak   110 weight  0.10000E+01 volume  0.68646E-03 ppm1      2.541 ppm2      2.967 CV     1
 OR {  110}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 45   and name HE1 ))
 OR {  110}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 45   and name HE2 ))
 OR {  110}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 45   and name HE1 ))
 ASSI {  124}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      1.400     0.200     0.800 peak   124 weight  0.10000E+01 volume  0.24270E-01 ppm1      2.929 ppm2      2.780 CV     1
 ASSI {  125}
   (( segid "    " and resid 64   and name HB2 ))
   (  segid "    " and resid 65   and name HD1%)
      4.300     2.300     1.700 peak   125 weight  0.10000E+01 volume  0.65622E-03 ppm1      2.952 ppm2      0.835 CV     1
 ASSI {  143}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB  ))
      3.100     1.200     1.200 peak   143 weight  0.10000E+01 volume  0.62088E-03 ppm1      2.693 ppm2      2.311 CV     1
 OR {  143}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  145}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.800     0.800 peak   145 weight  0.10000E+01 volume  0.29124E-02 ppm1      2.693 ppm2      4.678 CV     1
 OR {  145}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  150}
   (( segid "    " and resid 64   and name HB1 ))
   (  segid "    " and resid 65   and name HD1%)
      4.700     2.800     1.300 peak   150 weight  0.10000E+01 volume  0.62047E-03 ppm1      2.776 ppm2      0.858 CV     1
 ASSI {  153}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 24   and name HB1 ))
      3.800     1.800     1.800 peak   153 weight  0.10000E+01 volume  0.82031E-03 ppm1      2.776 ppm2      3.085 CV     1
 ASSI {  154}
   (( segid "    " and resid 64   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      3.400     1.500     1.500 peak   154 weight  0.10000E+01 volume  0.10621E-02 ppm1      2.788 ppm2      1.678 CV     1
 ASSI {  156}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 21   and name HB  ))
      3.800     1.800     1.800 peak   156 weight  0.10000E+01 volume  0.67190E-03 ppm1      2.941 ppm2      1.983 CV     1
 ASSI {  163}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   163 weight  0.10000E+01 volume  0.24326E-02 ppm1      2.529 ppm2      4.303 CV     1
 OR {  163}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  175}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.100     1.100 peak   175 weight  0.10000E+01 volume  0.11762E-02 ppm1      2.435 ppm2      4.936 CV     1
 ASSI {  177}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HB2 ))
      1.900     0.400     0.400 peak   177 weight  0.10000E+01 volume  0.49027E-02 ppm1      2.446 ppm2      3.108 CV     1
 ASSI {  181}
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   181 weight  0.10000E+01 volume  0.38833E-02 ppm1      2.658 ppm2      4.303 CV     1
 OR {  181}
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI {  187}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.700     0.900     0.900 peak   187 weight  0.10000E+01 volume  0.16673E-02 ppm1      3.129 ppm2      4.936 CV     1
 ASSI {  199}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   199 weight  0.10000E+01 volume  0.60629E-03 ppm1      1.929 ppm2      4.678 CV     1
 ASSI {  200}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak   200 weight  0.10000E+01 volume  0.10032E-02 ppm1      1.941 ppm2      0.788 CV     1
 ASSI {  205}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak   205 weight  0.10000E+01 volume  0.22664E-02 ppm1      2.811 ppm2      4.116 CV     1
 OR {  205}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
 ASSI {  207}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 67   and name HB2 ))
      3.600     1.600     1.600 peak   207 weight  0.10000E+01 volume  0.74988E-03 ppm1      2.823 ppm2      3.131 CV     1
 OR {  207}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HB2 ))
 ASSI {  221}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.800     0.900     0.900 peak   221 weight  0.10000E+01 volume  0.10775E-02 ppm1      2.846 ppm2      5.030 CV     1
 OR {  221}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  249}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
      3.000     1.100     1.100 peak   249 weight  0.10000E+01 volume  0.11668E-02 ppm1      2.399 ppm2      4.819 CV     1
 OR {  249}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  269}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak   269 weight  0.10000E+01 volume  0.75214E-03 ppm1      1.588 ppm2      1.842 CV     1
 OR {  269}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  273}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak   273 weight  0.10000E+01 volume  0.95366E-03 ppm1      2.399 ppm2      3.811 CV     1
 ASSI {  275}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.100     0.500     0.500 peak   275 weight  0.10000E+01 volume  0.28262E-02 ppm1      2.670 ppm2      2.381 CV     1
 ASSI {  277}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      3.000     1.100     1.100 peak   277 weight  0.10000E+01 volume  0.94264E-03 ppm1      2.670 ppm2      3.811 CV     1
 ASSI {  319}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      3.900     1.900     1.900 peak   319 weight  0.10000E+01 volume  0.58472E-03 ppm1      1.670 ppm2      2.616 CV     1
 ASSI {  324}
   (( segid "    " and resid 60   and name HB1 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.100     0.500     0.500 peak   324 weight  0.10000E+01 volume  0.21748E-02 ppm1      1.294 ppm2      1.702 CV     1
 ASSI {  350}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 26   and name HB  ))
      4.300     2.300     1.700 peak   350 weight  0.10000E+01 volume  0.10485E-02 ppm1      2.141 ppm2      2.288 CV     1
 ASSI {  354}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 80   and name HG2%)
      3.200     1.300     1.300 peak   354 weight  0.10000E+01 volume  0.94990E-03 ppm1      2.199 ppm2      1.022 CV     1
 ASSI {  355}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      2.500     0.800     0.800 peak   355 weight  0.10000E+01 volume  0.30797E-02 ppm1      2.199 ppm2      4.842 CV     1
 ASSI {  364}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.300     0.600     0.600 peak   364 weight  0.10000E+01 volume  0.46052E-02 ppm1      1.811 ppm2      1.678 CV     1
 OR {  364}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI {  368}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB1 ))
      2.300     0.600     0.600 peak   368 weight  0.10000E+01 volume  0.44196E-02 ppm1      1.941 ppm2      1.819 CV     1
 OR {  368}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR {  368}
   (( segid "    " and resid 18   and name HG1 ))
   (( segid "    " and resid 18   and name HB1 ))
 ASSI {  371}
   (( segid "    " and resid 18   and name HG2 ))
   (  segid "    " and resid 9    and name HD2%)
      3.600     1.600     1.600 peak   371 weight  0.10000E+01 volume  0.57595E-03 ppm1      1.976 ppm2      0.483 CV     1
 OR {  371}
   (( segid "    " and resid 18   and name HG1 ))
   (  segid "    " and resid 9    and name HD2%)
 ASSI {  374}
   (( segid "    " and resid 87   and name HG2 ))
   (  segid "    " and resid 86   and name HD1%)
      2.500     0.800     0.800 peak   374 weight  0.10000E+01 volume  0.25557E-02 ppm1      2.188 ppm2      0.811 CV     1
 OR {  374}
   (( segid "    " and resid 87   and name HG1 ))
   (  segid "    " and resid 86   and name HD1%)
 ASSI {  378}
   (( segid "    " and resid 87   and name HG2 ))
   (( segid "    " and resid 87   and name HA  ))
      2.800     1.000     1.000 peak   378 weight  0.10000E+01 volume  0.28689E-02 ppm1      2.199 ppm2      4.069 CV     1
 OR {  378}
   (( segid "    " and resid 87   and name HG1 ))
   (( segid "    " and resid 87   and name HA  ))
 ASSI {  381}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HB1 ))
      2.600     0.900     0.900 peak   381 weight  0.10000E+01 volume  0.21010E-02 ppm1      2.247 ppm2      1.866 CV     1
 OR {  381}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HB2 ))
 OR {  381}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  383}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   383 weight  0.10000E+01 volume  0.83626E-03 ppm1      2.247 ppm2      4.444 CV     1
 OR {  383}
   (( segid "    " and resid 81   and name HG1 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  393}
   (( segid "    " and resid 57   and name HB  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   393 weight  0.10000E+01 volume  0.98984E-03 ppm1      1.788 ppm2      4.796 CV     1
 ASSI {  415}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 50   and name HG12))
      3.200     1.300     1.300 peak   415 weight  0.10000E+01 volume  0.70025E-03 ppm1      1.800 ppm2      1.561 CV     1
 OR {  415}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 50   and name HG11))
 ASSI {  418}
   (( segid "    " and resid 6    and name HG2 ))
   (  segid "    " and resid 78   and name HD1%)
      3.000     1.100     1.100 peak   418 weight  0.10000E+01 volume  0.29333E-02 ppm1      2.423 ppm2      0.577 CV     1
 OR {  418}
   (( segid "    " and resid 6    and name HG1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  419}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 78   and name HG11))
      3.500     1.500     1.500 peak   419 weight  0.10000E+01 volume  0.11863E-02 ppm1      2.423 ppm2      0.694 CV     1
 OR {  419}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 78   and name HG11))
 OR {  419}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 78   and name HG12))
 OR {  419}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 78   and name HG12))
 ASSI {  440}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak   440 weight  0.10000E+01 volume  0.17776E-02 ppm1      2.411 ppm2      1.444 CV     1
 OR {  440}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  442}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD2 ))
      3.400     1.500     1.500 peak   442 weight  0.10000E+01 volume  0.56556E-03 ppm1      1.129 ppm2      0.764 CV     1
 OR {  442}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD1 ))
 OR {  442}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HD1 ))
 OR {  442}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD2 ))
 ASSI {  444}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.800     1.000     1.000 peak   444 weight  0.10000E+01 volume  0.12925E-02 ppm1      1.658 ppm2      4.350 CV     1
 OR {  444}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  455}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
      4.000     2.000     2.000 peak   455 weight  0.10000E+01 volume  0.59064E-03 ppm1      1.070 ppm2      0.928 CV     1
 OR {  455}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  455}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  456}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   456 weight  0.10000E+01 volume  0.62374E-03 ppm1      1.070 ppm2      1.210 CV     1
 OR {  456}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
 OR {  456}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  456}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
 ASSI {  458}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.500     0.800     0.800 peak   458 weight  0.10000E+01 volume  0.31347E-02 ppm1      1.070 ppm2      1.772 CV     1
 OR {  458}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 74   and name HG1 ))
 OR {  458}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {  460}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      4.000     2.000     2.000 peak   460 weight  0.10000E+01 volume  0.57999E-03 ppm1      1.082 ppm2      1.655 CV     1
 OR {  460}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 75   and name HB1 ))
 OR {  460}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI {  469}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      1.800     0.400     0.400 peak   469 weight  0.10000E+01 volume  0.55107E-02 ppm1      1.364 ppm2      1.585 CV     1
 ASSI {  470}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   470 weight  0.10000E+01 volume  0.14915E-02 ppm1      1.364 ppm2      4.374 CV     1
 ASSI {  472}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB1 ))
      1.800     0.400     0.400 peak   472 weight  0.10000E+01 volume  0.30009E-02 ppm1      1.458 ppm2      1.889 CV     1
 ASSI {  473}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HD2 ))
      3.400     1.500     1.500 peak   473 weight  0.10000E+01 volume  0.23438E-02 ppm1      1.470 ppm2      1.116 CV     1
 OR {  473}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HD1 ))
 ASSI {  476}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HA  ))
      3.000     1.100     1.100 peak   476 weight  0.10000E+01 volume  0.10997E-02 ppm1      1.600 ppm2      4.374 CV     1
 ASSI {  482}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD1 ))
      2.000     0.500     0.500 peak   482 weight  0.10000E+01 volume  0.85337E-02 ppm1      1.870 ppm2      1.655 CV     1
 OR {  482}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HD2 ))
 ASSI {  502}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   502 weight  0.10000E+01 volume  0.17080E-02 ppm1      1.764 ppm2      4.233 CV     1
 ASSI {  513}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   513 weight  0.10000E+01 volume  0.82985E-03 ppm1      1.741 ppm2      5.241 CV     1
 ASSI {  514}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.400     0.700     0.700 peak   514 weight  0.10000E+01 volume  0.30289E-02 ppm1      1.776 ppm2      1.631 CV     1
 OR {  514}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  514}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  514}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  515}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   515 weight  0.10000E+01 volume  0.12121E-02 ppm1      1.847 ppm2      5.006 CV     1
 OR {  515}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  520}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   520 weight  0.10000E+01 volume  0.11990E-02 ppm1      1.800 ppm2      4.491 CV     1
 OR {  520}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  524}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.800     1.000     1.000 peak   524 weight  0.10000E+01 volume  0.13804E-02 ppm1      1.917 ppm2      2.288 CV     1
 ASSI {  536}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 72   and name HA1 ))
      3.700     1.700     1.700 peak   536 weight  0.10000E+01 volume  0.69133E-03 ppm1      1.917 ppm2      3.717 CV     1
 OR {  536}
   (( segid "    " and resid 71   and name HB  ))
   (( segid "    " and resid 72   and name HA2 ))
 ASSI {  542}
   (( segid "    " and resid 81   and name HB1 ))
   (  segid "    " and resid 83   and name HD2%)
      2.500     0.800     0.800 peak   542 weight  0.10000E+01 volume  0.32836E-02 ppm1      1.905 ppm2      0.671 CV     1
 OR {  542}
   (( segid "    " and resid 81   and name HB2 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  555}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HB1 ))
      2.300     0.700     0.700 peak   555 weight  0.10000E+01 volume  0.14132E-02 ppm1      3.670 ppm2      3.108 CV     1
 ASSI {  558}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 21   and name HA  ))
      2.700     0.900     0.900 peak   558 weight  0.10000E+01 volume  0.88409E-03 ppm1      1.976 ppm2      3.460 CV     1
 ASSI {  565}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   565 weight  0.10000E+01 volume  0.84227E-03 ppm1      0.306 ppm2      1.421 CV     1
 OR {  565}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  568}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   568 weight  0.10000E+01 volume  0.90965E-03 ppm1      0.317 ppm2      3.741 CV     1
 OR {  568}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  570}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   570 weight  0.10000E+01 volume  0.21449E-02 ppm1      1.176 ppm2      0.296 CV     1
 OR {  570}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  582}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD1 ))
      3.300     1.300     1.300 peak   582 weight  0.10000E+01 volume  0.64748E-03 ppm1      1.200 ppm2      3.085 CV     1
 OR {  582}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD1 ))
 OR {  582}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD2 ))
 OR {  582}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HD2 ))
 ASSI {  583}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.800     1.000     1.000 peak   583 weight  0.10000E+01 volume  0.11946E-02 ppm1      1.200 ppm2      4.210 CV     1
 OR {  583}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  588}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
      3.100     1.200     1.200 peak   588 weight  0.10000E+01 volume  0.71620E-03 ppm1      1.964 ppm2      3.741 CV     1
 ASSI {  600}
   (( segid "    " and resid 87   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      3.700     1.700     1.700 peak   600 weight  0.10000E+01 volume  0.54500E-03 ppm1      1.882 ppm2      4.256 CV     1
 OR {  600}
   (( segid "    " and resid 87   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  621}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   621 weight  0.10000E+01 volume  0.23478E-02 ppm1      2.541 ppm2      4.889 CV     1
 OR {  621}
   (( segid "    " and resid 39   and name HB1 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI {  663}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HA  ))
      3.000     1.200     1.200 peak   663 weight  0.10000E+01 volume  0.63971E-03 ppm1      0.670 ppm2      4.819 CV     1
 OR {  663}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HA  ))
 ASSI {  697}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.400     1.400     1.400 peak   697 weight  0.10000E+01 volume  0.63280E-03 ppm1      1.729 ppm2      2.100 CV     1
 OR {  697}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HB1 ))
 ASSI {  698}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE2 ))
      2.700     0.900     0.900 peak   698 weight  0.10000E+01 volume  0.16974E-02 ppm1      1.729 ppm2      2.897 CV     1
 OR {  698}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 8    and name HE1 ))
 OR {  698}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE2 ))
 OR {  698}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 8    and name HE1 ))
 ASSI {  700}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak   700 weight  0.10000E+01 volume  0.11671E-02 ppm1      1.741 ppm2      4.889 CV     1
 OR {  700}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  707}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 83   and name HD2%)
      2.800     1.000     1.000 peak   707 weight  0.10000E+01 volume  0.15518E-02 ppm1      1.435 ppm2      0.694 CV     1
 OR {  707}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  711}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.800     1.000     1.000 peak   711 weight  0.10000E+01 volume  0.36241E-02 ppm1      1.741 ppm2      1.421 CV     1
 OR {  711}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 6    and name HB2 ))
 ASSI {  712}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   712 weight  0.10000E+01 volume  0.18024E-02 ppm1      1.741 ppm2      3.764 CV     1
 OR {  712}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  715}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 60   and name HD1 ))
      3.700     1.700     1.700 peak   715 weight  0.10000E+01 volume  0.69863E-03 ppm1      0.670 ppm2      1.116 CV     1
 OR {  715}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 60   and name HD2 ))
 ASSI {  721}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak   721 weight  0.10000E+01 volume  0.77391E-03 ppm1      1.129 ppm2      0.811 CV     1
 OR {  721}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  722}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.200     0.600     0.600 peak   722 weight  0.10000E+01 volume  0.59507E-02 ppm1      1.129 ppm2      1.421 CV     1
 OR {  722}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB2 ))
 ASSI {  725}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   725 weight  0.10000E+01 volume  0.16344E-02 ppm1      1.423 ppm2      0.319 CV     1
 OR {  725}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  730}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 80   and name HG2%)
      3.200     1.300     1.300 peak   730 weight  0.10000E+01 volume  0.67335E-03 ppm1      1.447 ppm2      1.022 CV     1
 OR {  730}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 80   and name HG2%)
 ASSI {  744}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   744 weight  0.10000E+01 volume  0.99977E-03 ppm1      1.329 ppm2      4.046 CV     1
 OR {  744}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  751}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 16   and name HB  ))
      2.700     0.900     0.900 peak   751 weight  0.10000E+01 volume  0.15347E-02 ppm1      1.341 ppm2      1.772 CV     1
 OR {  751}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 16   and name HB  ))
 ASSI {  752}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 18   and name HG1 ))
      3.300     1.300     1.300 peak   752 weight  0.10000E+01 volume  0.96999E-03 ppm1      1.341 ppm2      1.960 CV     1
 OR {  752}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 18   and name HG1 ))
 OR {  752}
   (( segid "    " and resid 16   and name HG11))
   (( segid "    " and resid 18   and name HG2 ))
 OR {  752}
   (( segid "    " and resid 16   and name HG12))
   (( segid "    " and resid 18   and name HG2 ))
 ASSI {  754}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.600     1.600     1.600 peak   754 weight  0.10000E+01 volume  0.62001E-03 ppm1      1.447 ppm2      4.233 CV     1
 OR {  754}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  758}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      3.600     1.600     1.600 peak   758 weight  0.10000E+01 volume  0.56512E-03 ppm1      1.576 ppm2      4.116 CV     1
 ASSI {  759}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 12   and name HD1%)
      3.400     1.500     1.500 peak   759 weight  0.10000E+01 volume  0.80265E-03 ppm1      1.588 ppm2      0.577 CV     1
 ASSI {  762}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HE2 ))
      2.700     0.900     0.900 peak   762 weight  0.10000E+01 volume  0.21070E-02 ppm1      1.694 ppm2      2.030 CV     1
 OR {  762}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 60   and name HE1 ))
 OR {  762}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 60   and name HE2 ))
 ASSI {  771}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 16   and name HD1%)
      2.200     0.600     0.600 peak   771 weight  0.10000E+01 volume  0.49663E-02 ppm1      1.035 ppm2      0.717 CV     1
 OR {  771}
   (( segid "    " and resid 12   and name HG11))
   (  segid "    " and resid 16   and name HD1%)
 ASSI {  772}
   (( segid "    " and resid 12   and name HG11))
   (  segid "    " and resid 9    and name HD1%)
      3.100     1.200     1.200 peak   772 weight  0.10000E+01 volume  0.22261E-02 ppm1      1.035 ppm2      0.835 CV     1
 OR {  772}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 9    and name HD1%)
 ASSI {  774}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 16   and name HG11))
      2.600     0.800     0.800 peak   774 weight  0.10000E+01 volume  0.47156E-02 ppm1      1.035 ppm2      1.327 CV     1
 OR {  774}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 16   and name HG12))
 OR {  774}
   (( segid "    " and resid 12   and name HG11))
   (( segid "    " and resid 16   and name HG12))
 OR {  774}
   (( segid "    " and resid 12   and name HG11))
   (( segid "    " and resid 16   and name HG11))
 ASSI {  786}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD1%)
      2.300     0.700     0.700 peak   786 weight  0.10000E+01 volume  0.32667E-02 ppm1      1.564 ppm2      0.811 CV     1
 ASSI {  787}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 75   and name HD2%)
      3.300     1.400     1.400 peak   787 weight  0.10000E+01 volume  0.11921E-02 ppm1      1.564 ppm2      0.928 CV     1
 OR {  787}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  790}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 9    and name HD2%)
      2.600     0.800     0.800 peak   790 weight  0.10000E+01 volume  0.19706E-02 ppm1      1.611 ppm2      0.460 CV     1
 ASSI {  793}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HB2 ))
      2.600     0.800     0.800 peak   793 weight  0.10000E+01 volume  0.16303E-02 ppm1      1.670 ppm2      1.421 CV     1
 OR {  793}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  794}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HE1 ))
      3.100     1.200     1.200 peak   794 weight  0.10000E+01 volume  0.66425E-03 ppm1      1.670 ppm2      2.780 CV     1
 OR {  794}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HE2 ))
 OR {  794}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HE2 ))
 OR {  794}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HE1 ))
 ASSI {  795}
   (( segid "    " and resid 59   and name HD2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.600     1.600     1.600 peak   795 weight  0.10000E+01 volume  0.12434E-02 ppm1      1.670 ppm2      4.585 CV     1
 OR {  795}
   (( segid "    " and resid 59   and name HD1 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI {  820}
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 65   and name HD1%)
      2.600     0.800     0.800 peak   820 weight  0.10000E+01 volume  0.15357E-02 ppm1      1.835 ppm2      0.835 CV     1
 ASSI {  857}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      3.100     1.200     1.200 peak   857 weight  0.10000E+01 volume  0.84853E-03 ppm1      0.941 ppm2      4.116 CV     1
 OR {  857}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  860}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 63   and name HB2 ))
      3.000     1.100     1.100 peak   860 weight  0.10000E+01 volume  0.60710E-03 ppm1      0.976 ppm2      2.639 CV     1
 OR {  860}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  895}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   895 weight  0.10000E+01 volume  0.20639E-02 ppm1      0.941 ppm2      1.631 CV     1
 OR {  895}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
 OR {  895}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  895}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  896}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   896 weight  0.10000E+01 volume  0.40390E-02 ppm1      0.941 ppm2      1.960 CV     1
 OR {  896}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  897}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.400     1.400 peak   897 weight  0.10000E+01 volume  0.15873E-02 ppm1      0.941 ppm2      4.889 CV     1
 OR {  897}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  900}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HE% )
      2.900     1.100     1.100 peak   900 weight  0.10000E+01 volume  0.10696E-02 ppm1      0.941 ppm2      7.397 CV     1
 OR {  900}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 7    and name HD% )
 OR {  900}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 7    and name HD% )
 ASSI {  901}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 24   and name HH2 ))
      3.000     1.200     1.200 peak   901 weight  0.10000E+01 volume  0.85885E-03 ppm1      0.941 ppm2      7.491 CV     1
 OR {  901}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 24   and name HH2 ))
 ASSI {  905}
   (  segid "    " and resid 65   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   905 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.000 ppm2      3.741 CV     1
 ASSI {  908}
   (( segid "    " and resid 58   and name HG11))
   (( segid "    " and resid 26   and name HB  ))
      3.900     1.900     1.900 peak   908 weight  0.10000E+01 volume  0.62407E-03 ppm1      1.258 ppm2      2.311 CV     1
 OR {  908}
   (( segid "    " and resid 58   and name HG12))
   (( segid "    " and resid 26   and name HB  ))
 ASSI {  941}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 69   and name HB% )
      3.000     1.100     1.100 peak   941 weight  0.10000E+01 volume  0.10169E-02 ppm1      0.953 ppm2      0.155 CV     1
 OR {  941}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 69   and name HB% )
 ASSI {  942}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HZ  ))
      3.500     1.500     1.500 peak   942 weight  0.10000E+01 volume  0.67016E-03 ppm1      0.964 ppm2      7.631 CV     1
 OR {  942}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HZ  ))
 ASSI {  966}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.200     1.300     1.300 peak   966 weight  0.10000E+01 volume  0.56754E-03 ppm1      0.235 ppm2      1.702 CV     1
 OR {  966}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI {  969}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     1.700     1.700 peak   969 weight  0.10000E+01 volume  0.58882E-03 ppm1      0.247 ppm2      4.303 CV     1
 OR {  969}
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI {  971}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 7    and name HE% )
      3.500     1.500     1.500 peak   971 weight  0.10000E+01 volume  0.69530E-03 ppm1      0.800 ppm2      7.327 CV     1
 ASSI {  974}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 18   and name HA  ))
      3.600     1.600     1.600 peak   974 weight  0.10000E+01 volume  0.90762E-03 ppm1      0.835 ppm2      5.006 CV     1
 ASSI { 1005}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD2 ))
      2.900     1.100     1.100 peak  1005 weight  0.10000E+01 volume  0.85806E-03 ppm1      1.270 ppm2      1.702 CV     1
 OR { 1005}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD1 ))
 OR { 1005}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HD2 ))
 OR { 1005}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 59   and name HD1 ))
 ASSI { 1006}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.900     0.400     0.400 peak  1006 weight  0.10000E+01 volume  0.14123E-01 ppm1      1.376 ppm2      1.631 CV     1
 OR { 1006}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1006}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1006}
   (( segid "    " and resid 45   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1011}
   (  segid "    " and resid 9    and name HD1%)
   (  segid "    " and resid 12   and name HD1%)
      2.100     0.600     0.600 peak  1011 weight  0.10000E+01 volume  0.61791E-02 ppm1      0.811 ppm2      0.577 CV     1
 ASSI { 1044}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.400     1.400 peak  1044 weight  0.10000E+01 volume  0.74998E-03 ppm1      1.282 ppm2      4.350 CV     1
 OR { 1044}
   (( segid "    " and resid 59   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1116}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 6    and name HB1 ))
      3.100     1.200     1.200 peak  1116 weight  0.10000E+01 volume  0.57460E-03 ppm1      0.835 ppm2      2.077 CV     1
 OR { 1116}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 6    and name HB1 ))
 ASSI { 1168}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
      2.300     0.600     0.600 peak  1168 weight  0.10000E+01 volume  0.64320E-02 ppm1      0.800 ppm2      1.561 CV     1
 OR { 1168}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
 ASSI { 1180}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HA  ))
      2.400     0.700     0.700 peak  1180 weight  0.10000E+01 volume  0.55955E-02 ppm1      0.823 ppm2      4.210 CV     1
 OR { 1180}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HA  ))
 ASSI { 1183}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 8    and name HE1 ))
      2.700     0.900     0.900 peak  1183 weight  0.10000E+01 volume  0.83360E-03 ppm1      0.835 ppm2      2.897 CV     1
 OR { 1183}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 8    and name HE1 ))
 ASSI { 1190}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB2 ))
      2.900     1.000     1.000 peak  1190 weight  0.10000E+01 volume  0.15441E-02 ppm1      0.847 ppm2      1.561 CV     1
 OR { 1190}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB1 ))
 OR { 1190}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 86   and name HB2 ))
 OR { 1190}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 86   and name HB1 ))
 ASSI { 1191}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HB1 ))
      3.000     1.100     1.100 peak  1191 weight  0.10000E+01 volume  0.96327E-03 ppm1      0.847 ppm2      2.569 CV     1
 OR { 1191}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 85   and name HB2 ))
 OR { 1191}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 85   and name HB2 ))
 ASSI { 1193}
   (  segid "    " and resid 86   and name HD2%)
   (( segid "    " and resid 6    and name HE21))
      2.900     1.100     1.100 peak  1193 weight  0.10000E+01 volume  0.96429E-03 ppm1      0.847 ppm2      6.764 CV     1
 OR { 1193}
   (  segid "    " and resid 86   and name HD1%)
   (( segid "    " and resid 6    and name HE21))
 ASSI { 1210}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.400     1.400 peak  1210 weight  0.10000E+01 volume  0.81257E-03 ppm1      1.164 ppm2      4.374 CV     1
 ASSI { 1211}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HE21))
      2.700     0.900     0.900 peak  1211 weight  0.10000E+01 volume  0.66570E-03 ppm1      1.164 ppm2      6.647 CV     1
 ASSI { 1316}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HG2 ))
      2.800     1.000     1.000 peak  1316 weight  0.10000E+01 volume  0.55584E-03 ppm1      1.164 ppm2      2.171 CV     1
 OR { 1316}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 42   and name HG1 ))
 ASSI { 1319}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      3.000     1.100     1.100 peak  1319 weight  0.10000E+01 volume  0.56623E-03 ppm1      1.164 ppm2      3.647 CV     1
 OR { 1319}
   (  segid "    " and resid 49   and name HG2%)
   (( segid "    " and resid 47   and name HB1 ))
 ASSI { 1377}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      3.500     1.600     1.600 peak  1377 weight  0.10000E+01 volume  0.73238E-03 ppm1      0.929 ppm2      4.374 CV     1
 ASSI { 1390}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak  1390 weight  0.10000E+01 volume  0.91887E-03 ppm1      1.153 ppm2      5.124 CV     1
 ASSI { 1392}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      4.100     2.100     1.900 peak  1392 weight  0.10000E+01 volume  0.13200E-02 ppm1      1.164 ppm2      0.811 CV     1
 ASSI { 1393}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 57   and name HB  ))
      3.400     1.400     1.400 peak  1393 weight  0.10000E+01 volume  0.13778E-02 ppm1      1.164 ppm2      1.796 CV     1
 ASSI { 1434}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 64   and name HB2 ))
      3.700     1.700     1.700 peak  1434 weight  0.10000E+01 volume  0.10797E-02 ppm1      0.894 ppm2      2.944 CV     1
 ASSI { 1438}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 24   and name HE1 ))
      3.800     1.800     1.800 peak  1438 weight  0.10000E+01 volume  0.69899E-03 ppm1      0.906 ppm2      9.155 CV     1
 ASSI { 1450}
   (  segid "    " and resid 31   and name HG2%)
   (  segid "    " and resid 58   and name HD1%)
      3.600     1.600     1.600 peak  1450 weight  0.10000E+01 volume  0.17955E-02 ppm1      1.164 ppm2      0.694 CV     1
 ASSI { 1455}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      4.000     2.000     2.000 peak  1455 weight  0.10000E+01 volume  0.10290E-02 ppm1      1.164 ppm2      2.428 CV     1
 ASSI { 1458}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      2.200     0.600     0.600 peak  1458 weight  0.10000E+01 volume  0.60576E-02 ppm1      1.164 ppm2      4.842 CV     1
 ASSI { 1459}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      3.600     1.600     1.600 peak  1459 weight  0.10000E+01 volume  0.59647E-03 ppm1      1.164 ppm2      5.264 CV     1
 ASSI { 1474}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak  1474 weight  0.10000E+01 volume  0.77740E-03 ppm1      0.647 ppm2      4.538 CV     1
 ASSI { 1481}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 60   and name HE2 ))
      3.700     1.700     1.700 peak  1481 weight  0.10000E+01 volume  0.11690E-02 ppm1      0.659 ppm2      2.006 CV     1
 OR { 1481}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 60   and name HE1 ))
 OR { 1481}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 60   and name HE2 ))
 ASSI { 1482}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak  1482 weight  0.10000E+01 volume  0.58342E-03 ppm1      0.659 ppm2      4.256 CV     1
 OR { 1482}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 1484}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 6    and name HB1 ))
      3.500     1.600     1.600 peak  1484 weight  0.10000E+01 volume  0.70228E-03 ppm1      0.670 ppm2      2.077 CV     1
 ASSI { 1485}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HB2 ))
      2.800     1.000     1.000 peak  1485 weight  0.10000E+01 volume  0.64098E-03 ppm1      0.670 ppm2      2.171 CV     1
 OR { 1485}
   (  segid "    " and resid 4    and name HG1%)
   (( segid "    " and resid 3    and name HB1 ))
 OR { 1485}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
 OR { 1485}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
 ASSI { 1525}
   (  segid "    " and resid 20   and name HG2%)
   (  segid "    " and resid 68   and name HD1%)
      2.300     0.600     0.600 peak  1525 weight  0.10000E+01 volume  0.45082E-02 ppm1      0.906 ppm2      0.694 CV     1
 ASSI { 1536}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 66   and name HA  ))
      2.200     0.600     0.600 peak  1536 weight  0.10000E+01 volume  0.55662E-02 ppm1      0.929 ppm2      4.116 CV     1
 ASSI { 1537}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      2.800     1.000     1.000 peak  1537 weight  0.10000E+01 volume  0.11964E-02 ppm1      0.929 ppm2      4.303 CV     1
 ASSI { 1545}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.700     1.700     1.700 peak  1545 weight  0.10000E+01 volume  0.11403E-02 ppm1      0.941 ppm2      3.506 CV     1
 ASSI { 1552}
   (  segid "    " and resid 31   and name HG2%)
   (( segid "    " and resid 31   and name HB  ))
      2.200     0.600     0.600 peak  1552 weight  0.10000E+01 volume  0.54876E-02 ppm1      1.176 ppm2      4.069 CV     1
 ASSI { 1756}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 7    and name HE% )
      3.400     1.400     1.400 peak  1756 weight  0.10000E+01 volume  0.92544E-03 ppm1      0.141 ppm2      7.397 CV     1
 OR { 1756}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 7    and name HD% )
 ASSI { 1759}
   (  segid "    " and resid 69   and name HB% )
   (  segid "    " and resid 9    and name HD2%)
      2.700     0.900     0.900 peak  1759 weight  0.10000E+01 volume  0.24756E-02 ppm1      0.153 ppm2      0.436 CV     1
 ASSI { 1992}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak  1992 weight  0.10000E+01 volume  0.11402E-02 ppm1      0.576 ppm2      4.678 CV     1
 ASSI { 2013}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA2 ))
      3.400     1.400     1.400 peak  2013 weight  0.10000E+01 volume  0.11083E-02 ppm1      0.729 ppm2      3.741 CV     1
 OR { 2013}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HA1 ))
 ASSI { 2017}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.400     1.400     1.400 peak  2017 weight  0.10000E+01 volume  0.10628E-02 ppm1      1.011 ppm2      3.389 CV     1
 OR { 2017}
   (  segid "    " and resid 50   and name HG2%)
   (( segid "    " and resid 37   and name HB2 ))
 ASSI { 2027}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 24   and name HZ3 ))
      2.900     1.100     1.100 peak  2027 weight  0.10000E+01 volume  0.72275E-03 ppm1      1.223 ppm2      6.764 CV     1
 ASSI { 2028}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      3.100     1.200     1.200 peak  2028 weight  0.10000E+01 volume  0.57429E-03 ppm1      1.235 ppm2     -0.290 CV     1
 ASSI { 2030}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 38   and name HD1%)
      2.100     0.600     0.600 peak  2030 weight  0.10000E+01 volume  0.42115E-02 ppm1      1.235 ppm2      0.811 CV     1
 ASSI { 2035}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.100     0.600     0.600 peak  2035 weight  0.10000E+01 volume  0.38135E-02 ppm1      1.235 ppm2      1.936 CV     1
 ASSI { 2036}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB1 ))
      3.100     1.200     1.200 peak  2036 weight  0.10000E+01 volume  0.63235E-03 ppm1      1.235 ppm2      2.546 CV     1
 OR { 2036}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HB2 ))
 ASSI { 2038}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak  2038 weight  0.10000E+01 volume  0.22100E-02 ppm1      1.235 ppm2      4.678 CV     1
 ASSI { 2042}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 24   and name HZ2 ))
      3.900     1.900     1.900 peak  2042 weight  0.10000E+01 volume  0.56019E-03 ppm1      1.235 ppm2      7.678 CV     1
 ASSI { 2061}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HG11))
      2.900     1.000     1.000 peak  2061 weight  0.10000E+01 volume  0.11036E-02 ppm1      0.764 ppm2      1.327 CV     1
 OR { 2061}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HG12))
 ASSI { 2062}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.000     2.000     2.000 peak  2062 weight  0.10000E+01 volume  0.61235E-03 ppm1      0.776 ppm2      4.069 CV     1
 ASSI { 2075}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 9    and name HD1%)
      2.900     1.000     1.000 peak  2075 weight  0.10000E+01 volume  0.17725E-02 ppm1      0.329 ppm2      0.811 CV     1
 ASSI { 2142}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HG2 ))
      3.400     1.400     1.400 peak  2142 weight  0.10000E+01 volume  0.78912E-03 ppm1      0.564 ppm2      1.983 CV     1
 OR { 2142}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 18   and name HG1 ))
 ASSI { 2143}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      3.700     1.700     1.700 peak  2143 weight  0.10000E+01 volume  0.78600E-03 ppm1      0.576 ppm2      4.655 CV     1
 ASSI { 2148}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 9    and name HD2%)
      2.100     0.600     0.600 peak  2148 weight  0.10000E+01 volume  0.76509E-02 ppm1      0.553 ppm2      0.436 CV     1
 ASSI { 2168}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.900     0.900 peak  2168 weight  0.10000E+01 volume  0.19981E-02 ppm1      0.717 ppm2      4.280 CV     1
 ASSI { 2178}
   (  segid "    " and resid 16   and name HD1%)
   (( segid "    " and resid 17   and name HA  ))
      3.400     1.500     1.500 peak  2178 weight  0.10000E+01 volume  0.61543E-03 ppm1      0.682 ppm2      4.491 CV     1
 ASSI { 2186}
   (  segid "    " and resid 68   and name HD1%)
   (( segid "    " and resid 18   and name HB2 ))
      3.300     1.400     1.400 peak  2186 weight  0.10000E+01 volume  0.82774E-03 ppm1      0.717 ppm2      1.866 CV     1


! Hydrogen bond 
assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name N    ) 2.80 0.30 0.50
assign (resid    69 and  name O   )(resid   19 and  name HN   ) 1.80 0.30 0.50


assign (resid    67 and  name O   )(resid   21 and  name N    ) 2.80 0.30 0.50
assign (resid    67 and  name O   )(resid   21 and  name HN   ) 1.80 0.30 0.50


! modify by Chi-Fon 02/05/2001 N-O distance from 2.5-3.3 A; NH-O 1.5-2.3A
assign (resid    57 and  name O   )(resid   79 and  name N    ) 2.80 0.30 0.50
assign (resid    57 and  name O   )(resid   79 and  name HN   ) 1.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name N    ) 2.80 0.30 0.50
assign (resid    79 and  name O   )(resid   57 and  name HN   ) 1.80 0.30 0.50

assign (resid    77 and  name O   )(resid   59 and  name N    ) 2.80 0.30 0.50
assign (resid    77 and  name O   )(resid   59 and  name HN   ) 1.80 0.30 0.50

assign (resid    5 and  name O   )(resid   78 and  name N    ) 2.80 0.30 0.50
assign (resid    5 and  name O   )(resid   78 and  name HN   ) 1.80 0.30 0.50

assign (resid    32 and  name O   )(resid   56 and  name N    ) 2.80 0.30 0.50
assign (resid    32 and  name O   )(resid   56 and  name HN   ) 1.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name N    ) 2.80 0.30 0.50
assign (resid    56 and  name O   )(resid   32 and  name HN   ) 1.80 0.30 0.50

assign (resid    41 and  name O   )(resid   48 and  name N    ) 2.80 0.30 0.50
assign (resid    41 and  name O   )(resid   48 and  name HN   ) 1.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name N    ) 2.80 0.30 0.50
assign (resid    48 and  name O   )(resid   41 and  name HN   ) 1.80 0.30 0.50

assign (resid    39 and  name O   )(resid   50 and  name N    ) 2.80 0.30 0.50
assign (resid    39 and  name O   )(resid   50 and  name HN   ) 1.80 0.30 0.50

assign (resid    40 and  name O   )(resid   23 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   23 and  name HN   ) 1.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name N    ) 2.80 0.30 0.50
assign (resid    23 and  name O   )(resid   40 and  name HN   ) 1.80 0.30 0.50

assign (resid    30 and  name O   )(resid   58 and  name N    ) 2.80 0.30 0.50
assign (resid    30 and  name O   )(resid   58 and  name HN   ) 1.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name N    ) 2.80 0.30 0.50
assign (resid    58 and  name O   )(resid   30 and  name HN   ) 1.80 0.30 0.50

! adding two more for beta region 02/02/2001
assign (resid    7 and  name O   )(resid   76 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   76 and  name HN   ) 1.80 0.30 0.50


!assign (resid    50 and  name O   )(resid   39 and  name N    ) 2.80 0.30 0.50
!assign (resid    50 and  name O   )(resid   39 and  name HN   ) 1.80 0.30 0.50

! adding one more 05/01/2001; remove for 06/18/2001
!assign (resid    19 and  name O   )(resid   69 and  name N    ) 2.80 0.30 0.50
!assign (resid    19 and  name O   )(resid   69 and  name HN   ) 1.80 0.30 0.50

!adding four more from insighII structure and H/D exchange 06/18/2001
assign (resid    40 and  name O   )(resid   22 and  name N    ) 2.80 0.30 0.50
assign (resid    40 and  name O   )(resid   22 and  name HN   ) 1.80 0.30 0.50

assign (resid    38 and  name O   )(resid   25 and  name N    ) 2.80 0.30 0.50
assign (resid    38 and  name O   )(resid   25 and  name HN   ) 1.80 0.30 0.50

assign (resid    50 and  name O   )(resid   38 and  name N    ) 2.80 0.30 0.50
assign (resid    50 and  name O   )(resid   38 and  name HN   ) 1.80 0.30 0.50

assign (resid    7 and  name O   )(resid   75 and  name N    ) 2.80 0.30 0.50
assign (resid    7 and  name O   )(resid   75 and  name HN   ) 1.80 0.30 0.50


! Dihedral constraints from experimental data and TALOS

 assign (resid  1  and name C) (resid  2  and name N)
        (resid  2  and name CA) (resid  2  and name C)  1  80.000 40  2
 
 assign (resid  2  and name C) (resid  3  and name N)
        (resid  3  and name CA) (resid  3  and name C)  1  -121.000 40  2
 
 assign (resid  3  and name C) (resid  4  and name N)
        (resid  4  and name CA) (resid  4  and name C)  1  -120.000 20  2
 
 assign (resid  4  and name C) (resid  5  and name N)
        (resid  5  and name CA) (resid  5  and name C)  1  -120.000 20  2
 
 assign (resid  5  and name C) (resid  6  and name N)
        (resid  6  and name CA) (resid  6  and name C)  1  -120.000 20  2
 
 assign (resid  6  and name C) (resid  7  and name N)
        (resid  7  and name CA) (resid  7  and name C)  1  -120.000 20  2
 
 assign (resid  7  and name C) (resid  8  and name N)
        (resid  8  and name CA) (resid  8  and name C)  1  -87.460 40  2
 
 assign (resid  8  and name C) (resid  9  and name N)
        (resid  9  and name CA) (resid  9  and name C)  1  -81.950 40  2
 
 assign (resid  9  and name C) (resid  10  and name N)
        (resid  10  and name CA) (resid  10  and name C)  1  -101.790 40  2
 
 assign (resid  11  and name C) (resid  12  and name N)
        (resid  12  and name CA) (resid  12  and name C)  1  -106.580 40  2
 
 assign (resid  12  and name C) (resid  13  and name N)
        (resid  13  and name CA) (resid  13  and name C)  1  -112.910 40  2
 
 assign (resid  13  and name C) (resid  14  and name N)
        (resid  14  and name CA) (resid  14  and name C)  1  -71.400 40  2
 
 assign (resid  14  and name C) (resid  15  and name N)
        (resid  15  and name CA) (resid  15  and name C)  1  -166.200 40  2
 
 assign (resid  15  and name C) (resid  16  and name N)
        (resid  16  and name CA) (resid  16  and name C)  1  -93.450 40  2
 
 assign (resid  17  and name C) (resid  18  and name N)
        (resid  18  and name CA) (resid  18  and name C)  1  -120 20  2
 
 assign (resid  18  and name C) (resid  19  and name N)
        (resid  19  and name CA) (resid  19  and name C)  1  -120 20  2
 
 assign (resid  19  and name C) (resid  20  and name N)
        (resid  20  and name CA) (resid  20  and name C)  1  -120 20  2
 
 assign (resid  20  and name C) (resid  21  and name N)
        (resid  21  and name CA) (resid  21  and name C)  1  -120 40  2
 
 assign (resid  21  and name C) (resid  22  and name N)
        (resid  22  and name CA) (resid  22  and name C)  1  -120 40  2
 
 assign (resid  22  and name C) (resid  23  and name N)
        (resid  23  and name CA) (resid  23  and name C)  1  -120 20  2
 
 assign (resid  23  and name C) (resid  24  and name N)
        (resid  24  and name CA) (resid  24  and name C)  1  -120 20  2
 
 assign (resid  24  and name C) (resid  25  and name N)
        (resid  25  and name CA) (resid  25  and name C)  1  -120 20  2
 
 assign (resid  25  and name C) (resid  26  and name N)
        (resid  26  and name CA) (resid  26  and name C)  1  -134.260 40  2
 
 assign (resid  26  and name C) (resid  27  and name N)
        (resid  27  and name CA) (resid  27  and name C)  1  -108.480 40  2
 
 assign (resid  27  and name C) (resid  28  and name N)
        (resid  28  and name CA) (resid  28  and name C)  1  -57.740 40  2
 
 assign (resid  28  and name C) (resid  29  and name N)
        (resid  29  and name CA) (resid  29  and name C)  1  89.010 40  2
 
 assign (resid  29  and name C) (resid  30  and name N)
        (resid  30  and name CA) (resid  30  and name C)  1  -84.860 40  2
 
 assign (resid  30  and name C) (resid  31  and name N)
        (resid  31  and name CA) (resid  31  and name C)  1  -120 20  2
 
 assign (resid  31  and name C) (resid  32  and name N)
        (resid  32  and name CA) (resid  32  and name C)  1  -120 20  2
 
 assign (resid  32  and name C) (resid  33  and name N)
        (resid  33  and name CA) (resid  33  and name C)  1  -120 20  2
 
 assign (resid  33  and name C) (resid  34  and name N)
        (resid  34  and name CA) (resid  34  and name C)  1  -65.440 40  2
 
 assign (resid  34  and name C) (resid  35  and name N)
        (resid  35  and name CA) (resid  35  and name C)  1  -63.900 40  2
 
 assign (resid  35  and name C) (resid  36  and name N)
        (resid  36  and name CA) (resid  36  and name C)  1  -80.680 40  2
 
 assign (resid  36  and name C) (resid  37  and name N)
        (resid  37  and name CA) (resid  37  and name C)  1  -73.920 40  2
 
 assign (resid  37  and name C) (resid  38  and name N)
        (resid  38  and name CA) (resid  38  and name C)  1  -106.710 40  2
 
 assign (resid  38  and name C) (resid  39  and name N)
        (resid  39  and name CA) (resid  39  and name C)  1  -120 20  2
 
 assign (resid  39  and name C) (resid  40  and name N)
        (resid  40  and name CA) (resid  40  and name C)  1  -120 20  2
 
 assign (resid  40  and name C) (resid  41  and name N)
        (resid  41  and name CA) (resid  41  and name C)  1  -120 20  2

 assign (resid  41  and name C) (resid  42  and name N)
        (resid  42  and name CA) (resid  42  and name C)  1  -120 20  2
 
 assign (resid  42  and name C) (resid  43  and name N)
        (resid  43  and name CA) (resid  43  and name C)  1  -120 20  2
 
 assign (resid  43  and name C) (resid  44  and name N)
        (resid  44  and name CA) (resid  44  and name C)  1  -69.260 40  2
 
 assign (resid  44  and name C) (resid  45  and name N)
        (resid  45  and name CA) (resid  45  and name C)  1  -92.970 40  2
 
 assign (resid  45  and name C) (resid  46  and name N)
        (resid  46  and name CA) (resid  46  and name C)  1  -108.680 40  2
 
 assign (resid  46  and name C) (resid  47  and name N)
        (resid  47  and name CA) (resid  47  and name C)  1  -120 20  2
 
 assign (resid  47  and name C) (resid  48  and name N)
        (resid  48  and name CA) (resid  48  and name C)  1  -120 20  2

 assign (resid  48  and name C) (resid  49  and name N)
        (resid  49  and name CA) (resid  49  and name C)  1  -120 20  2
 
 assign (resid  49  and name C) (resid  50  and name N)
        (resid  50  and name CA) (resid  50  and name C)  1  -120 20  2
 
 assign (resid  50  and name C) (resid  51  and name N)
        (resid  51  and name CA) (resid  51  and name C)  1  -92.080 40  2
 
 assign (resid  51  and name C) (resid  52  and name N)
        (resid  52  and name CA) (resid  52  and name C)  1  -80.870 40  2
 
 assign (resid  52  and name C) (resid  53  and name N)
        (resid  53  and name CA) (resid  53  and name C)  1  85.380 40  2
 
 assign (resid  53  and name C) (resid  54  and name N)
        (resid  54  and name CA) (resid  54  and name C)  1  -134.770 40  2
 
 assign (resid  54  and name C) (resid  55  and name N)
        (resid  55  and name CA) (resid  55  and name C)  1  -120 20  2
 
 assign (resid  55  and name C) (resid  56  and name N)
        (resid  56  and name CA) (resid  56  and name C)  1  -120 20  2
 
 assign (resid  56  and name C) (resid  57  and name N)
        (resid  57  and name CA) (resid  57  and name C)  1  -120 20  2
 
 assign (resid  57  and name C) (resid  58  and name N)
        (resid  58  and name CA) (resid  58  and name C)  1  -120 20  2
 
 assign (resid  58  and name C) (resid  59  and name N)
        (resid  59  and name CA) (resid  59  and name C)  1  -120 20  2
 
 assign (resid  59  and name C) (resid  60  and name N)
        (resid  60  and name CA) (resid  60  and name C)  1  -122.870 40  2
 
 assign (resid  60  and name C) (resid  61  and name N)
        (resid  61  and name CA) (resid  61  and name C)  1  -97.010 40  2
 
 assign (resid  61  and name C) (resid  62  and name N)
        (resid  62  and name CA) (resid  62  and name C)  1  -79.460 40  2
 
 assign (resid  62  and name C) (resid  63  and name N)
        (resid  63  and name CA) (resid  63  and name C)  1  -122.620 40  2
 
 assign (resid  64  and name C) (resid  65  and name N)
        (resid  65  and name CA) (resid  65  and name C)  1  -63.370 40  2
 
 assign (resid  65  and name C) (resid  66  and name N)
        (resid  66  and name CA) (resid  66  and name C)  1  -66.910 40  2
 
 assign (resid  66  and name C) (resid  67  and name N)
        (resid  67  and name CA) (resid  67  and name C)  1  -109.530 40  2
 
 assign (resid  67  and name C) (resid  68  and name N)
        (resid  68  and name CA) (resid  68  and name C)  1  -120 20  2
 
 assign (resid  68  and name C) (resid  69  and name N)
        (resid  69  and name CA) (resid  69  and name C)  1  -120 20  2
 
 assign (resid  69  and name C) (resid  70  and name N)
        (resid  70  and name CA) (resid  70  and name C)  1  -92.930 40  2
 
 assign (resid  70  and name C) (resid  71  and name N)
        (resid  71  and name CA) (resid  71  and name C)  1  -65.470 40  2
 
 assign (resid  71  and name C) (resid  72  and name N)
        (resid  72  and name CA) (resid  72  and name C)  1  81.090 40  2
 
 assign (resid  72  and name C) (resid  73  and name N)
        (resid  73  and name CA) (resid  73  and name C)  1  -116.570 40  2
 
 assign (resid  73  and name C) (resid  74  and name N)
        (resid  74  and name CA) (resid  74  and name C)  1  -82.270 40  2
 
 assign (resid  74  and name C) (resid  75  and name N)
        (resid  75  and name CA) (resid  75  and name C)  1  -102.210 40  2
 
 assign (resid  75  and name C) (resid  76  and name N)
        (resid  76  and name CA) (resid  76  and name C)  1  -120 20  2
 
 assign (resid  76  and name C) (resid  77  and name N)
        (resid  77  and name CA) (resid  77  and name C)  1  -120 20  2
 
 assign (resid  77  and name C) (resid  78  and name N)
        (resid  78  and name CA) (resid  78  and name C)  1  -120 20  2
 
 assign (resid  78  and name C) (resid  79  and name N)
        (resid  79  and name CA) (resid  79  and name C)  1  -120 20  2
 
 assign (resid  79  and name C) (resid  80  and name N)
        (resid  80  and name CA) (resid  80  and name C)  1  -120 20  2
 
 assign (resid  80  and name C) (resid  81  and name N)
        (resid  81  and name CA) (resid  81  and name C)  1  -98.590 40  2
 
 assign (resid  81  and name C) (resid  82  and name N)
        (resid  82  and name CA) (resid  82  and name C)  1  -78.120 40  2
 
 assign (resid  82  and name C) (resid  83  and name N)
        (resid  83  and name CA) (resid  83  and name C)  1  -83.260 40  2
 
 assign (resid  83  and name C) (resid  84  and name N)
        (resid  84  and name CA) (resid  84  and name C)  1  -58.250 40  2
 
 assign (resid  84  and name C) (resid  85  and name N)
        (resid  85  and name CA) (resid  85  and name C)  1  -65.240 40  2
 
 assign (resid  85  and name C) (resid  86  and name N)
        (resid  86  and name CA) (resid  86  and name C)  1  -95.590 40  2
 
!psi angles from TALOS 

 assign (resid  2  and name N) (resid  2  and name CA)
        (resid  2  and name C) (resid  3  and name N)  1  6.000 13.000  2
 
 assign (resid  3  and name N) (resid  3  and name CA)
        (resid  3  and name C) (resid  4  and name N)  1  137.000 16.000  2
 
 assign (resid  4  and name N) (resid  4  and name CA)
        (resid  4  and name C) (resid  5  and name N)  1  131.000 14.000  2
 
 assign (resid  5  and name N) (resid  5  and name CA)
        (resid  5  and name C) (resid  6  and name N)  1  132.000 10.000  2
 
 assign (resid  6  and name N) (resid  6  and name CA)
        (resid  6  and name C) (resid  7  and name N)  1  129.000 16.000  2
 
 assign (resid  7  and name N) (resid  7  and name CA)
        (resid  7  and name C) (resid  8  and name N)  1  130.000 28.000  2
 
 assign (resid  8  and name N) (resid  8  and name CA)
        (resid  8  and name C) (resid  9  and name N)  1  122.980 21.270  2
 
 assign (resid  9  and name N) (resid  9  and name CA)
        (resid  9  and name C) (resid  10  and name N)  1  125.430 9.860  2
 
 assign (resid  11  and name N) (resid  11  and name CA)
        (resid  11  and name C) (resid  12  and name N)  1  -29.850 12.220  2
 
 assign (resid  13  and name N) (resid  13  and name CA)
        (resid  13  and name C) (resid  14  and name N)  1  148.590 22.240  2
 
 assign (resid  15  and name N) (resid  15  and name CA)
        (resid  15  and name C) (resid  16  and name N)  1  -2.760 100.180  2
 
 assign (resid  17  and name N) (resid  17  and name CA)
        (resid  17  and name C) (resid  18  and name N)  1  130.380 21.190  2
 
 assign (resid  18  and name N) (resid  18  and name CA)
        (resid  18  and name C) (resid  19  and name N)  1  153.920 18.830  2
 
 assign (resid  19  and name N) (resid  19  and name CA)
        (resid  19  and name C) (resid  20  and name N)  1  152.800 14.590  2
 
 assign (resid  21  and name N) (resid  21  and name CA)
        (resid  21  and name C) (resid  22  and name N)  1  123.730 13.120  2
 
 assign (resid  22  and name N) (resid  22  and name CA)
        (resid  22  and name C) (resid  23  and name N)  1  -33.060 9.370  2
 
 assign (resid  23  and name N) (resid  23  and name CA)
        (resid  23  and name C) (resid  24  and name N)  1  134.130 24.900  2
 
 assign (resid  24  and name N) (resid  24  and name CA)
        (resid  24  and name C) (resid  25  and name N)  1  133.390 17.700  2
 

 assign (resid  26  and name N) (resid  26  and name CA)
        (resid  26  and name C) (resid  27  and name N)  1  161.880 10.030  2
 
 assign (resid  28  and name N) (resid  28  and name CA)
        (resid  28  and name C) (resid  29  and name N)  1  132.950 9.700  2
 
 assign (resid  29  and name N) (resid  29  and name CA)
        (resid  29  and name C) (resid  30  and name N)  1  -10.380 10.560  2
 
 assign (resid  30  and name N) (resid  30  and name CA)
        (resid  30  and name C) (resid  31  and name N)  1  134.010 19.600  2
 
 assign (resid  31  and name N) (resid  31  and name CA)
        (resid  31  and name C) (resid  32  and name N)  1  145.220 21.120  2
 
 assign (resid  32  and name N) (resid  32  and name CA)
        (resid  32  and name C) (resid  33  and name N)  1  155.600 13.170  2
 
 assign (resid  34  and name N) (resid  34  and name CA)
        (resid  34  and name C) (resid  35  and name N)  1  -31.030 14.190  2
 
 assign (resid  35  and name N) (resid  35  and name CA)
        (resid  35  and name C) (resid  36  and name N)  1  -34.000 16.610  2
 
 assign (resid  37  and name N) (resid  37  and name CA)
        (resid  37  and name C) (resid  38  and name N)  1  134.130 25.080  2
 
 assign (resid  39  and name N) (resid  39  and name CA)
        (resid  39  and name C) (resid  40  and name N)  1  139.020 24.110  2
 
 assign (resid  40  and name N) (resid  40  and name CA)
        (resid  40  and name C) (resid  41  and name N)  1  142.840 17.070  2
 
 assign (resid  41  and name N) (resid  41  and name CA)
        (resid  41  and name C) (resid  42  and name N)  1  155.680 13.960  2
 
 assign (resid  42  and name N) (resid  42  and name CA)
        (resid  42  and name C) (resid  43  and name N)  1  133.630 14.610  2
 
 assign (resid  43  and name N) (resid  43  and name CA)
        (resid  43  and name C) (resid  44  and name N)  1  132.600 21.460  2
 
 assign (resid  46  and name N) (resid  46  and name CA)
        (resid  46  and name C) (resid  47  and name N)  1  142.150 20.510  2
 
 assign (resid  47  and name N) (resid  47  and name CA)
        (resid  47  and name C) (resid  48  and name N)  1  125.440 18.480  2
 
 assign (resid  48  and name N) (resid  48  and name CA)
        (resid  48  and name C) (resid  49  and name N)  1  132.930 20.850  2
 
 assign (resid  49  and name N) (resid  49  and name CA)
        (resid  49  and name C) (resid  50  and name N)  1  117.860 13.500  2
 
 assign (resid  50  and name N) (resid  50  and name CA)
        (resid  50  and name C) (resid  51  and name N)  1  124.830 17.670  2
 
 assign (resid  51  and name N) (resid  51  and name CA)
        (resid  51  and name C) (resid  52  and name N)  1  159.550 20.920  2
 
 assign (resid  53  and name N) (resid  53  and name CA)
        (resid  53  and name C) (resid  54  and name N)  1  -0.990 11.720  2
 
 assign (resid  54  and name N) (resid  54  and name CA)
        (resid  54  and name C) (resid  55  and name N)  1  156.110 13.790  2
 
 assign (resid  55  and name N) (resid  55  and name CA)
        (resid  55  and name C) (resid  56  and name N)  1  132.680 13.970  2
 
 assign (resid  56  and name N) (resid  56  and name CA)
        (resid  56  and name C) (resid  57  and name N)  1  143.840 19.820  2
 
 assign (resid  57  and name N) (resid  57  and name CA)
        (resid  57  and name C) (resid  58  and name N)  1  126.630 14.250  2
 
 assign (resid  58  and name N) (resid  58  and name CA)
        (resid  58  and name C) (resid  59  and name N)  1  120.680 15.340  2
 
 assign (resid  59  and name N) (resid  59  and name CA)
        (resid  59  and name C) (resid  60  and name N)  1  -12.790 31.000  2
 
 assign (resid  61  and name N) (resid  61  and name CA)
        (resid  61  and name C) (resid  62  and name N)  1  124.780 26.520  2
 
 assign (resid  62  and name N) (resid  62  and name CA)
        (resid  62  and name C) (resid  63  and name N)  1  -34.780 10.160  2
 
 assign (resid  63  and name N) (resid  63  and name CA)
        (resid  63  and name C) (resid  64  and name N)  1  142.380 8.080  2
 
 !assign (resid  64  and name N) (resid  64  and name CA)
 !       (resid  64  and name C) (resid  65  and name N)  1  149.900 24.900  2
 
 assign (resid  65  and name N) (resid  65  and name CA)
        (resid  65  and name C) (resid  66  and name N)  1  -22.260 6.220  2
 
 assign (resid  66  and name N) (resid  66  and name CA)
        (resid  66  and name C) (resid  67  and name N)  1  -31.090 4.810  2
 
 assign (resid  67  and name N) (resid  67  and name CA)
        (resid  67  and name C) (resid  68  and name N)  1  141.350 24.040  2
 
 assign (resid  68  and name N) (resid  68  and name CA)
        (resid  68  and name C) (resid  69  and name N)  1  131.270 10.860  2
 
 assign (resid  69  and name N) (resid  69  and name CA)
        (resid  69  and name C) (resid  70  and name N)  1  137.070 20.300  2
 
 assign (resid  70  and name N) (resid  70  and name CA)
        (resid  70  and name C) (resid  71  and name N)  1  134.650 13.450  2
 
 assign (resid  71  and name N) (resid  71  and name CA)
        (resid  71  and name C) (resid  72  and name N)  1  129.390 9.710  2
 
 assign (resid  72  and name N) (resid  72  and name CA)
        (resid  72  and name C) (resid  73  and name N)  1  -4.070 14.730  2
 
 assign (resid  73  and name N) (resid  73  and name CA)
        (resid  73  and name C) (resid  74  and name N)  1  149.600 19.940  2
 
 assign (resid  74  and name N) (resid  74  and name CA)
        (resid  74  and name C) (resid  75  and name N)  1  143.560 20.900  2
 
 assign (resid  75  and name N) (resid  75  and name CA)
        (resid  75  and name C) (resid  76  and name N)  1  -23.330 23.360  2
 
 assign (resid  76  and name N) (resid  76  and name CA)
        (resid  76  and name C) (resid  77  and name N)  1  149.300 8.820  2
 
 assign (resid  77  and name N) (resid  77  and name CA)
        (resid  77  and name C) (resid  78  and name N)  1  139.610 19.880  2
 
 assign (resid  78  and name N) (resid  78  and name CA)
        (resid  78  and name C) (resid  79  and name N)  1  133.830 15.000  2
 
 assign (resid  79  and name N) (resid  79  and name CA)
        (resid  79  and name C) (resid  80  and name N)  1  127.980 10.630  2
 
 assign (resid  80  and name N) (resid  80  and name CA)
        (resid  80  and name C) (resid  81  and name N)  1  131.100 23.940  2
 
 assign (resid  81  and name N) (resid  81  and name CA)
        (resid  81  and name C) (resid  82  and name N)  1  137.760 15.810  2
 
 assign (resid  82  and name N) (resid  82  and name CA)
        (resid  82  and name C) (resid  83  and name N)  1  135.080 24.180  2
 
 assign (resid  83  and name N) (resid  83  and name CA)
        (resid  83  and name C) (resid  84  and name N)  1  123.930 21.190  2
 
 assign (resid  84  and name N) (resid  84  and name CA)
        (resid  84  and name C) (resid  85  and name N)  1  -33.170 9.890  2
 
 assign (resid  85  and name N) (resid  85  and name CA)
        (resid  85  and name C) (resid  86  and name N)  1  -29.610 19.330  2
 
 assign (resid  86  and name N) (resid  86  and name CA)
        (resid  86  and name C) (resid  87  and name N)  1  -6.280 21.510  2
 
 assign (resid  54  and name N) (resid  54  and name CA)
        (resid  54  and name CB) (resid  54  and name CG)  1.0  -60.0 60  2.0

 assign (resid  61  and name N) (resid  61  and name CA)
        (resid  61  and name CB) (resid  61  and name CG)  1.0  -60.0 60  2.0

 assign (resid  63  and name N) (resid  63  and name CA)
        (resid  63  and name CB) (resid  63  and name CG)  1.0  -60.0 60  2.0

 assign (resid  67  and name N) (resid  67  and name CA)
        (resid  67  and name CB) (resid  67  and name CG)  1.0  -60.0 60  2.0

 assign (resid  70  and name N) (resid  70  and name CA)
        (resid  70  and name CB) (resid  70  and name CG)  1.0  -60.0 60  2.0

 assign (resid  77  and name N) (resid  77  and name CA)
        (resid  77  and name CB) (resid  77  and name CG)  1.0  -60.0 60  2.0

! Adding 10 KI 1 for VAL 5,19,21,26,32,41,48,57,71,76 

assign (resid  19  and name N) (resid  19  and name CA)
        (resid  19  and name CB) (resid  19  and name CG1)  1.0  60.0 60  2.0

assign (resid  21  and name N) (resid  21  and name CA)
        (resid  21  and name CB) (resid  21  and name CG1)  1.0  180.0 60  2.0

assign (resid  48  and name N) (resid  48  and name CA)
        (resid  48  and name CB) (resid  48  and name CG1)  1.0  180.0 60  2.0

assign (resid  57  and name N) (resid  57 and name CA)
        (resid  57  and name CB) (resid  57  and name CG1)  1.0  180.0 60  2.0

assign (resid  71  and name N) (resid  71  and name CA)
        (resid  71  and name CB) (resid  71  and name CG1)  1.0  180.0 60  2.0

assign (resid  76  and name N) (resid  76  and name CA)
        (resid  76  and name CB) (resid  76  and name CG1)  1.0  60.0 60  2.0

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -18.657  10.164  -0.008
    2   2H    MET   1          2HT       MET   1 -17.116  10.042  -0.696
    3   3H    MET   1          3HT       MET   1 -17.541   9.050   0.606
    4    HA   MET   1           HA       MET   1 -17.894   7.544  -1.001
    5   1HB   MET   1          2HB       MET   1 -20.229   7.416  -1.510
    6   2HB   MET   1          1HB       MET   1 -20.079   8.161   0.075
    7   1HG   MET   1          2HG       MET   1 -20.200  10.390  -1.239
    8   2HG   MET   1          1HG       MET   1 -20.877   9.392  -2.523
    9   1HE   MET   1          1HE       MET   1 -23.092   8.638  -2.728
   10   2HE   MET   1          2HE       MET   1 -24.342   8.548  -1.488
   11   3HE   MET   1          3HE       MET   1 -22.997   7.408  -1.468
   12    H    GLY   2           H        GLY   2 -16.885   7.324  -2.885
   13   1HA   GLY   2          2HA       GLY   2 -17.188   7.528  -5.317
   14   2HA   GLY   2          1HA       GLY   2 -17.555   9.225  -5.046
   15    H    GLN   3           H        GLN   3 -15.024   7.874  -3.154
   16    HA   GLN   3           HA       GLN   3 -12.962   8.757  -5.025
   17   1HB   GLN   3          2HB       GLN   3 -12.146   9.679  -2.461
   18   2HB   GLN   3          1HB       GLN   3 -12.425  10.617  -3.918
   19   1HG   GLN   3          2HG       GLN   3 -14.596  11.170  -3.295
   20   2HG   GLN   3          1HG       GLN   3 -14.696   9.855  -2.125
   21   1HE2  GLN   3          1HE2      GLN   3 -15.358  11.302  -0.518
   22   2HE2  GLN   3          2HE2      GLN   3 -14.243  12.372   0.255
   23    H    VAL   4           H        VAL   4 -10.852   7.966  -4.545
   24    HA   VAL   4           HA       VAL   4 -10.869   5.640  -2.734
   25    HB   VAL   4           HB       VAL   4  -9.238   4.559  -4.191
   26   1HG1  VAL   4          1HG1      VAL   4 -10.822   4.632  -6.353
   27   2HG1  VAL   4          2HG1      VAL   4 -11.907   5.350  -5.162
   28   3HG1  VAL   4          3HG1      VAL   4 -11.223   3.748  -4.880
   29   1HG2  VAL   4          1HG2      VAL   4  -8.233   6.689  -5.030
   30   2HG2  VAL   4          2HG2      VAL   4  -9.618   6.847  -6.111
   31   3HG2  VAL   4          3HG2      VAL   4  -8.526   5.471  -6.271
   32    H    VAL   5           H        VAL   5  -9.050   5.213  -1.503
   33    HA   VAL   5           HA       VAL   5  -7.279   7.507  -1.057
   34    HB   VAL   5           HB       VAL   5  -6.675   6.426   1.049
   35   1HG1  VAL   5          1HG1      VAL   5  -9.545   6.078   1.332
   36   2HG1  VAL   5          2HG1      VAL   5  -9.123   7.546   0.449
   37   3HG1  VAL   5          3HG1      VAL   5  -8.472   7.270   2.065
   38   1HG2  VAL   5          1HG2      VAL   5  -7.685   4.346   1.775
   39   2HG2  VAL   5          2HG2      VAL   5  -6.828   4.090   0.253
   40   3HG2  VAL   5          3HG2      VAL   5  -8.588   4.225   0.266
   41    H    GLN   6           H        GLN   6  -5.129   7.412  -1.501
   42    HA   GLN   6           HA       GLN   6  -4.170   4.933  -2.712
   43   1HB   GLN   6          2HB       GLN   6  -3.533   7.823  -3.080
   44   2HB   GLN   6          1HB       GLN   6  -2.325   6.621  -3.495
   45   1HG   GLN   6          2HG       GLN   6  -3.382   6.044  -5.368
   46   2HG   GLN   6          1HG       GLN   6  -4.948   5.989  -4.561
   47   1HE2  GLN   6          1HE2      GLN   6  -5.670   8.318  -3.875
   48   2HE2  GLN   6          2HE2      GLN   6  -5.604   9.486  -5.147
   49    H    PHE   7           H        PHE   7  -2.290   3.958  -2.126
   50    HA   PHE   7           HA       PHE   7  -1.165   4.771   0.455
   51   1HB   PHE   7          2HB       PHE   7  -1.789   2.525   0.635
   52   2HB   PHE   7          1HB       PHE   7  -1.350   2.165  -1.028
   53    HD1  PHE   7           1HD      PHE   7   0.170   3.072   2.250
   54    HD2  PHE   7           2HD      PHE   7   0.624   1.069  -1.476
   55    HE1  PHE   7           1HE      PHE   7   2.320   2.152   3.011
   56    HE2  PHE   7           2HE      PHE   7   2.773   0.145  -0.723
   57    HZ   PHE   7           HZ       PHE   7   3.626   0.685   1.523
   58    H    LYS   8           H        LYS   8   0.865   5.523   0.610
   59    HA   LYS   8           HA       LYS   8   2.581   5.380  -1.782
   60   1HB   LYS   8          2HB       LYS   8   1.702   7.613  -1.611
   61   2HB   LYS   8          1HB       LYS   8   2.115   7.697   0.095
   62   1HG   LYS   8          2HG       LYS   8   4.556   7.280  -0.882
   63   2HG   LYS   8          1HG       LYS   8   3.823   8.042  -2.294
   64   1HD   LYS   8          2HD       LYS   8   4.037   9.163   0.497
   65   2HD   LYS   8          1HD       LYS   8   4.822   9.763  -0.965
   66   1HE   LYS   8          2HE       LYS   8   2.539  10.207  -1.901
   67   2HE   LYS   8          1HE       LYS   8   1.877   9.800  -0.318
   68   1HZ   LYS   8          1HZ       LYS   8   2.093  12.141  -0.420
   69   2HZ   LYS   8          2HZ       LYS   8   3.683  12.055  -0.987
   70   3HZ   LYS   8          3HZ       LYS   8   3.327  11.593   0.600
   71    H    LEU   9           H        LEU   9   4.565   4.603  -1.483
   72    HA   LEU   9           HA       LEU   9   5.476   3.391   0.828
   73   1HB   LEU   9          2HB       LEU   9   6.368   3.093  -1.487
   74   2HB   LEU   9          1HB       LEU   9   7.164   4.645  -1.349
   75    HG   LEU   9           HG       LEU   9   8.762   2.859  -1.044
   76   1HD1  LEU   9          1HD1      LEU   9   9.883   3.710   0.757
   77   2HD1  LEU   9          2HD1      LEU   9   8.422   3.880   1.729
   78   3HD1  LEU   9          3HD1      LEU   9   8.744   5.013   0.417
   79   1HD2  LEU   9          1HD2      LEU   9   8.260   0.959  -0.069
   80   2HD2  LEU   9          2HD2      LEU   9   6.669   1.598   0.362
   81   3HD2  LEU   9          3HD2      LEU   9   8.028   1.790   1.472
   82    H    SER  10           H        SER  10   5.893   4.289   2.764
   83    HA   SER  10           HA       SER  10   7.405   6.801   2.837
   84   1HB   SER  10          2HB       SER  10   4.664   6.645   3.421
   85   2HB   SER  10          1HB       SER  10   5.473   6.751   4.984
   86    HG   SER  10           HG       SER  10   5.529   8.564   2.827
   87    H    ASP  11           H        ASP  11   7.709   3.776   3.525
   88    HA   ASP  11           HA       ASP  11   8.103   3.594   6.308
   89   1HB   ASP  11          2HB       ASP  11   9.532   2.010   4.168
   90   2HB   ASP  11          1HB       ASP  11   9.295   1.543   5.849
   91    H    ILE  12           H        ILE  12   9.973   5.069   3.825
   92    HA   ILE  12           HA       ILE  12  12.149   5.503   5.759
   93    HB   ILE  12           HB       ILE  12  13.528   5.742   3.472
   94   1HG1  ILE  12          2HG1      ILE  12  11.480   5.011   2.162
   95   2HG1  ILE  12          1HG1      ILE  12  12.952   4.099   1.847
   96   1HG2  ILE  12          1HG2      ILE  12  14.222   4.435   5.365
   97   2HG2  ILE  12          2HG2      ILE  12  14.375   3.463   3.902
   98   3HG2  ILE  12          3HG2      ILE  12  13.020   3.198   4.999
   99   1HD1  ILE  12          1HD1      ILE  12  11.455   2.870   3.964
  100   2HD1  ILE  12          2HD1      ILE  12  11.959   2.206   2.410
  101   3HD1  ILE  12          3HD1      ILE  12  10.443   3.098   2.537
  102    H    GLY  13           H        GLY  13  13.688   7.298   4.616
  103   1HA   GLY  13          2HA       GLY  13  12.137   9.691   4.722
  104   2HA   GLY  13          1HA       GLY  13  13.860   9.582   4.401
  105    H    GLU  14           H        GLU  14  12.537  11.458   3.061
  106    HA   GLU  14           HA       GLU  14  11.708  10.416   0.474
  107   1HB   GLU  14          2HB       GLU  14  10.844  12.536   1.937
  108   2HB   GLU  14          1HB       GLU  14  11.958  13.330   0.833
  109   1HG   GLU  14          2HG       GLU  14  10.647  12.985  -0.963
  110   2HG   GLU  14          1HG       GLU  14  10.081  11.418  -0.386
  111    H    GLY  15           H        GLY  15  14.563  10.313   1.456
  112   1HA   GLY  15          2HA       GLY  15  15.764  11.090  -1.037
  113   2HA   GLY  15          1HA       GLY  15  16.272  12.100   0.308
  114    H    ILE  16           H        ILE  16  15.489   8.744   0.785
  115    HA   ILE  16           HA       ILE  16  18.348   8.086   0.935
  116    HB   ILE  16           HB       ILE  16  18.027   6.880   2.994
  117   1HG1  ILE  16          2HG1      ILE  16  15.431   7.741   3.814
  118   2HG1  ILE  16          1HG1      ILE  16  15.279   6.961   2.241
  119   1HG2  ILE  16          1HG2      ILE  16  17.239   9.731   2.846
  120   2HG2  ILE  16          2HG2      ILE  16  18.630   8.977   3.624
  121   3HG2  ILE  16          3HG2      ILE  16  17.045   8.909   4.395
  122   1HD1  ILE  16          1HD1      ILE  16  16.986   5.378   3.865
  123   2HD1  ILE  16          2HD1      ILE  16  15.400   4.982   3.204
  124   3HD1  ILE  16          3HD1      ILE  16  15.528   5.761   4.780
  125    H    ARG  17           H        ARG  17  18.170   5.466   1.700
  126    HA   ARG  17           HA       ARG  17  17.680   4.110  -0.656
  127   1HB   ARG  17          2HB       ARG  17  18.009   2.097   0.553
  128   2HB   ARG  17          1HB       ARG  17  19.006   3.308   1.344
  129   1HG   ARG  17          2HG       ARG  17  16.976   3.597   2.924
  130   2HG   ARG  17          1HG       ARG  17  16.483   2.023   2.298
  131   1HD   ARG  17          2HD       ARG  17  19.134   1.634   2.873
  132   2HD   ARG  17          1HD       ARG  17  18.622   2.723   4.161
  133    HE   ARG  17           HE       ARG  17  17.443   0.999   5.080
  134   1HH1  ARG  17          1HH1      ARG  17  18.098   0.247   1.743
  135   2HH1  ARG  17          2HH1      ARG  17  17.470  -1.363   1.847
  136   1HH2  ARG  17          1HH2      ARG  17  16.611  -1.120   5.228
  137   2HH2  ARG  17          2HH2      ARG  17  16.623  -2.141   3.828
  138    H    GLU  18           H        GLU  18  16.032   2.751  -1.381
  139    HA   GLU  18           HA       GLU  18  13.381   3.427  -0.327
  140   1HB   GLU  18          2HB       GLU  18  14.268   2.322  -2.993
  141   2HB   GLU  18          1HB       GLU  18  12.584   2.534  -2.535
  142   1HG   GLU  18          2HG       GLU  18  12.656   4.644  -3.188
  143   2HG   GLU  18          1HG       GLU  18  13.950   4.973  -2.037
  144    H    VAL  19           H        VAL  19  11.709   1.524  -0.721
  145    HA   VAL  19           HA       VAL  19  12.992  -1.004   0.094
  146    HB   VAL  19           HB       VAL  19  12.150   0.157   2.107
  147   1HG1  VAL  19          1HG1      VAL  19   9.344  -0.416   1.355
  148   2HG1  VAL  19          2HG1      VAL  19  10.097   1.012   0.644
  149   3HG1  VAL  19          3HG1      VAL  19  10.005   0.843   2.397
  150   1HG2  VAL  19          1HG2      VAL  19  12.062  -2.452   1.539
  151   2HG2  VAL  19          2HG2      VAL  19  10.347  -2.173   1.836
  152   3HG2  VAL  19          3HG2      VAL  19  11.532  -1.793   3.086
  153    H    THR  20           H        THR  20  11.935  -2.909  -0.403
  154    HA   THR  20           HA       THR  20   9.886  -2.653  -2.482
  155    HB   THR  20           HB       THR  20  12.165  -4.484  -2.080
  156    HG1  THR  20           1HG      THR  20  11.901  -4.506  -4.423
  157   1HG2  THR  20          1HG2      THR  20  10.244  -6.075  -1.788
  158   2HG2  THR  20          2HG2      THR  20  11.256  -6.392  -3.197
  159   3HG2  THR  20          3HG2      THR  20   9.689  -5.607  -3.399
  160    H    VAL  21           H        VAL  21   8.309  -4.438  -2.614
  161    HA   VAL  21           HA       VAL  21   6.976  -4.663  -0.064
  162    HB   VAL  21           HB       VAL  21   6.183  -5.834  -2.734
  163   1HG1  VAL  21          1HG1      VAL  21   4.834  -6.996  -1.319
  164   2HG1  VAL  21          2HG1      VAL  21   3.874  -5.522  -1.449
  165   3HG1  VAL  21          3HG1      VAL  21   4.921  -5.772  -0.052
  166   1HG2  VAL  21          1HG2      VAL  21   4.491  -3.742  -2.223
  167   2HG2  VAL  21          2HG2      VAL  21   5.883  -3.687  -3.304
  168   3HG2  VAL  21          3HG2      VAL  21   6.038  -3.129  -1.638
  169    H    LYS  22           H        LYS  22   6.752  -6.435   1.202
  170    HA   LYS  22           HA       LYS  22   8.323  -8.795   0.428
  171   1HB   LYS  22          2HB       LYS  22   8.555  -7.297   2.671
  172   2HB   LYS  22          1HB       LYS  22   7.415  -8.515   3.226
  173   1HG   LYS  22          2HG       LYS  22   9.470  -9.870   1.842
  174   2HG   LYS  22          1HG       LYS  22  10.238  -8.708   2.926
  175   1HD   LYS  22          2HD       LYS  22   9.726  -9.926   4.720
  176   2HD   LYS  22          1HD       LYS  22   8.039 -10.066   4.222
  177   1HE   LYS  22          2HE       LYS  22   8.854 -12.273   4.303
  178   2HE   LYS  22          1HE       LYS  22   8.818 -11.848   2.592
  179   1HZ   LYS  22          1HZ       LYS  22  11.210 -11.314   2.771
  180   2HZ   LYS  22          2HZ       LYS  22  10.872 -12.942   3.080
  181   3HZ   LYS  22          3HZ       LYS  22  11.202 -11.890   4.362
  182    H    GLU  23           H        GLU  23   5.147  -7.703   1.300
  183    HA   GLU  23           HA       GLU  23   4.129 -10.397   0.782
  184   1HB   GLU  23          2HB       GLU  23   4.219  -9.263   3.354
  185   2HB   GLU  23          1HB       GLU  23   2.542  -9.145   2.837
  186   1HG   GLU  23          2HG       GLU  23   2.304 -11.241   3.509
  187   2HG   GLU  23          1HG       GLU  23   3.279 -11.710   2.117
  188    H    TRP  24           H        TRP  24   2.656 -10.314  -0.758
  189    HA   TRP  24           HA       TRP  24   0.975  -7.903  -1.006
  190   1HB   TRP  24          2HB       TRP  24   2.582  -9.354  -3.016
  191   2HB   TRP  24          1HB       TRP  24   0.953  -8.930  -3.528
  192    HD1  TRP  24           HD       TRP  24   4.308  -7.600  -3.616
  193    HE1  TRP  24           1HE      TRP  24   4.320  -5.055  -3.995
  194    HE3  TRP  24           3HE      TRP  24  -0.597  -6.600  -2.574
  195    HZ2  TRP  24           2HZ      TRP  24   2.496  -2.907  -3.865
  196    HZ3  TRP  24           3HZ      TRP  24  -1.381  -4.272  -2.723
  197    HH2  TRP  24           HH       TRP  24   0.136  -2.465  -3.355
  198    H    TYR  25           H        TYR  25  -1.140  -8.307  -0.744
  199    HA   TYR  25           HA       TYR  25  -2.128 -10.990  -1.442
  200   1HB   TYR  25          2HB       TYR  25  -2.195  -9.629   1.152
  201   2HB   TYR  25          1HB       TYR  25  -3.764 -10.237   0.636
  202    HD1  TYR  25           1HD      TYR  25  -4.259 -12.553   0.709
  203    HD2  TYR  25           2HD      TYR  25  -0.266 -11.225   1.343
  204    HE1  TYR  25           1HE      TYR  25  -3.631 -14.812   1.452
  205    HE2  TYR  25           2HE      TYR  25   0.372 -13.480   2.087
  206    HH   TYR  25           HH       TYR  25  -0.760 -15.994   1.528
  207    H    VAL  26           H        VAL  26  -2.270  -8.740  -3.114
  208    HA   VAL  26           HA       VAL  26  -5.128  -8.614  -3.503
  209    HB   VAL  26           HB       VAL  26  -5.377  -6.230  -3.451
  210   1HG1  VAL  26          1HG1      VAL  26  -5.069  -5.764  -1.113
  211   2HG1  VAL  26          2HG1      VAL  26  -3.896  -7.067  -0.968
  212   3HG1  VAL  26          3HG1      VAL  26  -5.585  -7.436  -1.316
  213   1HG2  VAL  26          1HG2      VAL  26  -3.641  -4.905  -3.903
  214   2HG2  VAL  26          2HG2      VAL  26  -2.513  -6.241  -3.679
  215   3HG2  VAL  26          3HG2      VAL  26  -3.001  -5.258  -2.298
  216    H    LYS  27           H        LYS  27  -5.646  -7.306  -5.531
  217    HA   LYS  27           HA       LYS  27  -3.431  -7.082  -7.404
  218   1HB   LYS  27          2HB       LYS  27  -5.634  -9.104  -7.642
  219   2HB   LYS  27          1HB       LYS  27  -4.903  -8.424  -9.090
  220   1HG   LYS  27          2HG       LYS  27  -2.827  -9.235  -7.319
  221   2HG   LYS  27          1HG       LYS  27  -3.978 -10.561  -7.500
  222   1HD   LYS  27          2HD       LYS  27  -3.470 -10.877  -9.681
  223   2HD   LYS  27          1HD       LYS  27  -3.237  -9.154  -9.984
  224   1HE   LYS  27          2HE       LYS  27  -1.065  -9.735 -10.122
  225   2HE   LYS  27          1HE       LYS  27  -1.140  -9.647  -8.363
  226   1HZ   LYS  27          1HZ       LYS  27  -1.995 -12.189  -9.109
  227   2HZ   LYS  27          2HZ       LYS  27  -0.571 -11.771  -8.297
  228   3HZ   LYS  27          3HZ       LYS  27  -0.582 -11.875  -9.985
  229    H    GLU  28           H        GLU  28  -4.044  -6.033  -9.420
  230    HA   GLU  28           HA       GLU  28  -5.548  -3.737  -9.066
  231   1HB   GLU  28          2HB       GLU  28  -5.291  -5.000 -11.782
  232   2HB   GLU  28          1HB       GLU  28  -5.240  -3.298 -11.352
  233   1HG   GLU  28          2HG       GLU  28  -3.069  -3.882 -10.115
  234   2HG   GLU  28          1HG       GLU  28  -3.105  -5.371 -11.057
  235    H    GLY  29           H        GLY  29  -7.671  -3.202  -9.275
  236   1HA   GLY  29          2HA       GLY  29  -9.928  -3.450  -9.699
  237   2HA   GLY  29          1HA       GLY  29  -9.533  -4.819 -10.727
  238    H    ASP  30           H        ASP  30  -8.103  -5.317  -7.762
  239    HA   ASP  30           HA       ASP  30 -10.194  -7.210  -7.017
  240   1HB   ASP  30          2HB       ASP  30  -7.580  -7.645  -7.229
  241   2HB   ASP  30          1HB       ASP  30  -7.592  -7.063  -5.566
  242    H    THR  31           H        THR  31 -10.904  -7.426  -4.840
  243    HA   THR  31           HA       THR  31 -10.960  -4.854  -3.438
  244    HB   THR  31           HB       THR  31 -12.722  -7.228  -2.850
  245    HG1  THR  31           1HG      THR  31 -14.264  -6.073  -4.201
  246   1HG2  THR  31          1HG2      THR  31 -13.307  -4.308  -2.441
  247   2HG2  THR  31          2HG2      THR  31 -12.441  -5.259  -1.234
  248   3HG2  THR  31          3HG2      THR  31 -14.087  -5.703  -1.693
  249    H    VAL  32           H        VAL  32 -10.551  -4.692  -1.253
  250    HA   VAL  32           HA       VAL  32  -8.922  -6.849  -0.113
  251    HB   VAL  32           HB       VAL  32  -8.555  -4.630   1.516
  252   1HG1  VAL  32          1HG1      VAL  32  -6.491  -4.681  -0.409
  253   2HG1  VAL  32          2HG1      VAL  32  -7.044  -6.336  -0.157
  254   3HG1  VAL  32          3HG1      VAL  32  -6.500  -5.369   1.214
  255   1HG2  VAL  32          1HG2      VAL  32  -8.603  -3.728  -1.359
  256   2HG2  VAL  32          2HG2      VAL  32  -7.853  -2.834  -0.038
  257   3HG2  VAL  32          3HG2      VAL  32  -9.594  -3.110  -0.037
  258    H    SER  33           H        SER  33  -9.011  -6.986   2.316
  259    HA   SER  33           HA       SER  33 -11.693  -6.390   3.361
  260   1HB   SER  33          2HB       SER  33 -10.364  -9.032   3.090
  261   2HB   SER  33          1HB       SER  33 -11.225  -8.733   4.600
  262    HG   SER  33           HG       SER  33 -12.402  -9.643   2.656
  263    H    GLN  34           H        GLN  34 -11.682  -6.989   5.841
  264    HA   GLN  34           HA       GLN  34  -9.852  -5.233   7.078
  265   1HB   GLN  34          2HB       GLN  34 -11.740  -7.290   8.227
  266   2HB   GLN  34          1HB       GLN  34 -10.802  -6.178   9.215
  267   1HG   GLN  34          2HG       GLN  34 -12.135  -4.433   8.752
  268   2HG   GLN  34          1HG       GLN  34 -12.373  -4.924   7.076
  269   1HE2  GLN  34          1HE2      GLN  34 -13.951  -6.526   6.616
  270   2HE2  GLN  34          2HE2      GLN  34 -15.283  -6.783   7.686
  271    H    PHE  35           H        PHE  35  -9.811  -8.662   6.494
  272    HA   PHE  35           HA       PHE  35  -7.429  -8.968   8.179
  273   1HB   PHE  35          2HB       PHE  35  -7.800 -11.446   7.680
  274   2HB   PHE  35          1HB       PHE  35  -9.001 -10.653   8.693
  275    HD1  PHE  35           1HD      PHE  35 -11.173 -11.226   8.274
  276    HD2  PHE  35           2HD      PHE  35  -8.403 -11.186   5.043
  277    HE1  PHE  35           1HE      PHE  35 -12.952 -11.967   6.745
  278    HE2  PHE  35           2HE      PHE  35 -10.177 -11.925   3.508
  279    HZ   PHE  35           HZ       PHE  35 -12.456 -12.317   4.358
  280    H    ASP  36           H        ASP  36  -8.394  -8.665   4.909
  281    HA   ASP  36           HA       ASP  36  -5.959  -9.930   3.907
  282   1HB   ASP  36          2HB       ASP  36  -8.395 -10.090   2.890
  283   2HB   ASP  36          1HB       ASP  36  -7.930  -8.581   2.113
  284    H    SER  37           H        SER  37  -4.425  -8.428   4.657
  285    HA   SER  37           HA       SER  37  -4.526  -5.660   4.284
  286   1HB   SER  37          2HB       SER  37  -1.843  -6.203   4.156
  287   2HB   SER  37          1HB       SER  37  -2.767  -6.053   5.651
  288    HG   SER  37           HG       SER  37  -2.014  -8.400   4.270
  289    H    ILE  38           H        ILE  38  -3.311  -4.328   2.780
  290    HA   ILE  38           HA       ILE  38  -3.639  -5.246   0.072
  291    HB   ILE  38           HB       ILE  38  -2.457  -2.639   1.042
  292   1HG1  ILE  38          2HG1      ILE  38  -5.271  -3.596   0.643
  293   2HG1  ILE  38          1HG1      ILE  38  -4.610  -2.592   1.924
  294   1HG2  ILE  38          1HG2      ILE  38  -3.113  -1.846  -1.226
  295   2HG2  ILE  38          2HG2      ILE  38  -3.530  -3.505  -1.649
  296   3HG2  ILE  38          3HG2      ILE  38  -1.863  -3.090  -1.252
  297   1HD1  ILE  38          1HD1      ILE  38  -4.330  -1.035  -0.339
  298   2HD1  ILE  38          2HD1      ILE  38  -5.586  -0.890   0.892
  299   3HD1  ILE  38          3HD1      ILE  38  -5.882  -1.845  -0.560
  300    H    CYS  39           H        CYS  39  -0.849  -3.685   1.644
  301    HA   CYS  39           HA       CYS  39   0.896  -5.706   0.454
  302   1HB   CYS  39          2HB       CYS  39   2.460  -3.548   0.054
  303   2HB   CYS  39          1HB       CYS  39   1.415  -4.225  -1.183
  304    HG   CYS  39           HG       CYS  39   1.191  -1.474  -1.361
  305    H    GLU  40           H        GLU  40   3.016  -5.791   1.403
  306    HA   GLU  40           HA       GLU  40   3.326  -4.367   3.936
  307   1HB   GLU  40          2HB       GLU  40   3.472  -7.372   3.634
  308   2HB   GLU  40          1HB       GLU  40   4.007  -6.490   5.058
  309   1HG   GLU  40          2HG       GLU  40   1.949  -6.922   5.812
  310   2HG   GLU  40          1HG       GLU  40   1.486  -5.551   4.804
  311    H    VAL  41           H        VAL  41   5.307  -3.548   4.080
  312    HA   VAL  41           HA       VAL  41   7.421  -4.746   2.418
  313    HB   VAL  41           HB       VAL  41   8.522  -2.600   2.359
  314   1HG1  VAL  41          1HG1      VAL  41   7.263  -2.162   0.591
  315   2HG1  VAL  41          2HG1      VAL  41   6.081  -1.377   1.638
  316   3HG1  VAL  41          3HG1      VAL  41   5.934  -3.097   1.276
  317   1HG2  VAL  41          1HG2      VAL  41   6.497  -0.907   3.486
  318   2HG2  VAL  41          2HG2      VAL  41   8.212  -1.013   3.882
  319   3HG2  VAL  41          3HG2      VAL  41   7.053  -2.069   4.690
  320    H    GLN  42           H        GLN  42   9.425  -5.171   3.300
  321    HA   GLN  42           HA       GLN  42   9.646  -4.803   6.215
  322   1HB   GLN  42          2HB       GLN  42  10.448  -7.264   4.653
  323   2HB   GLN  42          1HB       GLN  42  10.725  -7.013   6.371
  324   1HG   GLN  42          2HG       GLN  42   8.060  -6.602   6.244
  325   2HG   GLN  42          1HG       GLN  42   8.274  -7.767   4.938
  326   1HE2  GLN  42          1HE2      GLN  42   6.968  -8.017   7.561
  327   2HE2  GLN  42          2HE2      GLN  42   7.732  -9.359   8.337
  328    H    SER  43           H        SER  43  11.361  -3.681   6.775
  329    HA   SER  43           HA       SER  43  13.731  -3.728   5.024
  330   1HB   SER  43          2HB       SER  43  12.278  -1.535   5.346
  331   2HB   SER  43          1HB       SER  43  13.211  -1.409   6.837
  332    HG   SER  43           HG       SER  43  14.611  -0.503   5.540
  333    H    ASP  44           H        ASP  44  15.795  -3.538   6.076
  334    HA   ASP  44           HA       ASP  44  16.237  -5.235   8.176
  335   1HB   ASP  44          2HB       ASP  44  18.423  -4.003   8.483
  336   2HB   ASP  44          1HB       ASP  44  18.085  -4.544   6.841
  337    H    LYS  45           H        LYS  45  15.191  -1.929   8.309
  338    HA   LYS  45           HA       LYS  45  15.836  -1.468  11.051
  339   1HB   LYS  45          2HB       LYS  45  14.106  -0.093   9.023
  340   2HB   LYS  45          1HB       LYS  45  14.017   0.376  10.715
  341   1HG   LYS  45          2HG       LYS  45  16.426   0.853  10.693
  342   2HG   LYS  45          1HG       LYS  45  16.476   0.432   8.980
  343   1HD   LYS  45          2HD       LYS  45  14.751   2.613  10.145
  344   2HD   LYS  45          1HD       LYS  45  16.337   2.881   9.419
  345   1HE   LYS  45          2HE       LYS  45  14.071   1.539   7.960
  346   2HE   LYS  45          1HE       LYS  45  14.337   3.282   7.920
  347   1HZ   LYS  45          1HZ       LYS  45  15.331   1.976   6.041
  348   2HZ   LYS  45          2HZ       LYS  45  16.428   1.327   7.153
  349   3HZ   LYS  45          3HZ       LYS  45  16.405   2.993   6.862
  350    H    ALA  46           H        ALA  46  12.606  -1.598   9.571
  351    HA   ALA  46           HA       ALA  46  11.700  -3.398  11.687
  352   1HB   ALA  46          1HB       ALA  46  10.243  -1.988  12.670
  353   2HB   ALA  46          2HB       ALA  46   9.852  -1.169  11.158
  354   3HB   ALA  46          3HB       ALA  46  11.321  -0.746  12.035
  355    H    SER  47           H        SER  47   9.493  -4.240  11.247
  356    HA   SER  47           HA       SER  47   9.157  -4.637   8.363
  357   1HB   SER  47          2HB       SER  47   7.679  -6.189  10.470
  358   2HB   SER  47          1HB       SER  47   8.141  -6.689   8.843
  359    HG   SER  47           HG       SER  47   9.406  -7.288  10.987
  360    H    VAL  48           H        VAL  48   7.691  -3.424   7.374
  361    HA   VAL  48           HA       VAL  48   5.452  -2.347   8.932
  362    HB   VAL  48           HB       VAL  48   5.872  -1.467   6.125
  363   1HG1  VAL  48          1HG1      VAL  48   4.115  -0.363   7.110
  364   2HG1  VAL  48          2HG1      VAL  48   5.439   0.763   7.409
  365   3HG1  VAL  48          3HG1      VAL  48   4.889  -0.313   8.694
  366   1HG2  VAL  48          1HG2      VAL  48   7.924  -1.218   8.208
  367   2HG2  VAL  48          2HG2      VAL  48   7.469   0.307   7.448
  368   3HG2  VAL  48          3HG2      VAL  48   8.053  -1.031   6.459
  369    H    THR  49           H        THR  49   3.374  -2.748   8.472
  370    HA   THR  49           HA       THR  49   2.734  -4.364   6.107
  371    HB   THR  49           HB       THR  49   1.240  -5.791   7.390
  372    HG1  THR  49           1HG      THR  49   2.210  -4.415   9.695
  373   1HG2  THR  49          1HG2      THR  49   3.874  -5.769   8.852
  374   2HG2  THR  49          2HG2      THR  49   3.724  -6.317   7.182
  375   3HG2  THR  49          3HG2      THR  49   2.849  -7.151   8.466
  376    H    ILE  50           H        ILE  50   1.011  -3.594   5.013
  377    HA   ILE  50           HA       ILE  50  -0.465  -1.377   6.228
  378    HB   ILE  50           HB       ILE  50  -0.363  -2.251   3.338
  379   1HG1  ILE  50          2HG1      ILE  50   0.778   0.265   3.575
  380   2HG1  ILE  50          1HG1      ILE  50   1.391  -0.597   4.984
  381   1HG2  ILE  50          1HG2      ILE  50  -2.112  -0.460   4.744
  382   2HG2  ILE  50          2HG2      ILE  50  -2.138  -0.948   3.050
  383   3HG2  ILE  50          3HG2      ILE  50  -1.157   0.427   3.557
  384   1HD1  ILE  50          1HD1      ILE  50   2.461  -2.200   3.674
  385   2HD1  ILE  50          2HD1      ILE  50   2.768  -0.674   2.847
  386   3HD1  ILE  50          3HD1      ILE  50   1.533  -1.775   2.235
  387    H    THR  51           H        THR  51  -2.265  -1.919   7.234
  388    HA   THR  51           HA       THR  51  -3.879  -4.167   6.312
  389    HB   THR  51           HB       THR  51  -5.303  -3.307   8.384
  390    HG1  THR  51           1HG      THR  51  -3.658  -2.529   9.964
  391   1HG2  THR  51          1HG2      THR  51  -3.930  -5.464   8.034
  392   2HG2  THR  51          2HG2      THR  51  -4.287  -4.958   9.685
  393   3HG2  THR  51          3HG2      THR  51  -2.692  -4.655   8.996
  394    H    SER  52           H        SER  52  -6.403  -3.596   6.707
  395    HA   SER  52           HA       SER  52  -6.904  -1.147   5.146
  396   1HB   SER  52          2HB       SER  52  -7.232  -3.415   3.972
  397   2HB   SER  52          1HB       SER  52  -8.655  -3.591   4.999
  398    HG   SER  52           HG       SER  52  -8.251  -1.983   2.810
  399    H    ARG  53           H        ARG  53  -8.037  -3.258   7.722
  400    HA   ARG  53           HA       ARG  53  -9.499  -2.928   9.443
  401   1HB   ARG  53          2HB       ARG  53  -9.838  -0.027   8.929
  402   2HB   ARG  53          1HB       ARG  53  -9.549  -0.873  10.440
  403   1HG   ARG  53          2HG       ARG  53  -7.503  -0.172   8.343
  404   2HG   ARG  53          1HG       ARG  53  -7.685   0.546   9.940
  405   1HD   ARG  53          2HD       ARG  53  -7.476  -2.243  10.312
  406   2HD   ARG  53          1HD       ARG  53  -6.209  -1.776   9.178
  407    HE   ARG  53           HE       ARG  53  -5.947   0.074  11.100
  408   1HH1  ARG  53          1HH1      ARG  53  -6.220  -3.397  11.243
  409   2HH1  ARG  53          2HH1      ARG  53  -5.272  -3.539  12.685
  410   1HH2  ARG  53          1HH2      ARG  53  -4.699  -0.105  12.996
  411   2HH2  ARG  53          2HH2      ARG  53  -4.406  -1.669  13.681
  412    H    TYR  54           H        TYR  54 -10.324  -2.865   6.394
  413    HA   TYR  54           HA       TYR  54 -13.078  -3.111   6.754
  414   1HB   TYR  54          2HB       TYR  54 -12.113  -0.394   6.275
  415   2HB   TYR  54          1HB       TYR  54 -13.249  -0.926   5.042
  416    HD1  TYR  54           1HD      TYR  54 -12.967   0.626   8.160
  417    HD2  TYR  54           2HD      TYR  54 -15.425  -2.114   6.025
  418    HE1  TYR  54           1HE      TYR  54 -14.839   1.137   9.670
  419    HE2  TYR  54           2HE      TYR  54 -17.303  -1.611   7.531
  420    HH   TYR  54           HH       TYR  54 -17.184  -0.483  10.311
  421    H    ASP  55           H        ASP  55 -14.164  -3.067   4.430
  422    HA   ASP  55           HA       ASP  55 -12.259  -4.454   2.700
  423   1HB   ASP  55          2HB       ASP  55 -15.259  -4.280   2.364
  424   2HB   ASP  55          1HB       ASP  55 -14.155  -5.382   1.545
  425    H    GLY  56           H        GLY  56 -11.335  -3.384   1.109
  426   1HA   GLY  56          2HA       GLY  56 -12.786  -1.091  -0.053
  427   2HA   GLY  56          1HA       GLY  56 -11.057  -1.065   0.248
  428    H    VAL  57           H        VAL  57 -12.030  -0.442  -2.234
  429    HA   VAL  57           HA       VAL  57 -11.564  -2.871  -3.830
  430    HB   VAL  57           HB       VAL  57 -12.671  -0.241  -4.806
  431   1HG1  VAL  57          1HG1      VAL  57 -12.387  -2.974  -6.021
  432   2HG1  VAL  57          2HG1      VAL  57 -11.794  -1.430  -6.634
  433   3HG1  VAL  57          3HG1      VAL  57 -13.523  -1.779  -6.648
  434   1HG2  VAL  57          1HG2      VAL  57 -14.817  -1.766  -4.875
  435   2HG2  VAL  57          2HG2      VAL  57 -14.373  -0.884  -3.413
  436   3HG2  VAL  57          3HG2      VAL  57 -13.992  -2.600  -3.558
  437    H    ILE  58           H        ILE  58  -9.656  -3.147  -4.742
  438    HA   ILE  58           HA       ILE  58  -7.881  -0.837  -5.126
  439    HB   ILE  58           HB       ILE  58  -7.159  -3.763  -5.349
  440   1HG1  ILE  58          2HG1      ILE  58  -6.632  -1.965  -2.988
  441   2HG1  ILE  58          1HG1      ILE  58  -8.049  -3.008  -3.076
  442   1HG2  ILE  58          1HG2      ILE  58  -5.355  -2.806  -6.293
  443   2HG2  ILE  58          2HG2      ILE  58  -4.906  -2.462  -4.622
  444   3HG2  ILE  58          3HG2      ILE  58  -5.699  -1.222  -5.595
  445   1HD1  ILE  58          1HD1      ILE  58  -5.749  -3.728  -1.924
  446   2HD1  ILE  58          2HD1      ILE  58  -5.447  -4.295  -3.566
  447   3HD1  ILE  58          3HD1      ILE  58  -6.855  -4.877  -2.678
  448    H    LYS  59           H        LYS  59  -7.561  -0.045  -7.107
  449    HA   LYS  59           HA       LYS  59  -8.701  -1.526  -9.356
  450   1HB   LYS  59          2HB       LYS  59  -9.164   0.971  -8.686
  451   2HB   LYS  59          1HB       LYS  59  -7.701   1.270  -9.614
  452   1HG   LYS  59          2HG       LYS  59  -8.815  -0.038 -11.490
  453   2HG   LYS  59          1HG       LYS  59 -10.305   0.118 -10.556
  454   1HD   LYS  59          2HD       LYS  59 -10.280   2.472 -10.723
  455   2HD   LYS  59          1HD       LYS  59  -8.607   2.491 -11.285
  456   1HE   LYS  59          2HE       LYS  59 -10.040   0.882 -13.093
  457   2HE   LYS  59          1HE       LYS  59 -11.032   2.310 -12.805
  458   1HZ   LYS  59          1HZ       LYS  59  -9.459   2.579 -14.658
  459   2HZ   LYS  59          2HZ       LYS  59  -8.168   2.383 -13.584
  460   3HZ   LYS  59          3HZ       LYS  59  -9.204   3.711 -13.426
  461    H    LYS  60           H        LYS  60  -5.616   0.114  -8.540
  462    HA   LYS  60           HA       LYS  60  -4.393  -1.556 -10.620
  463   1HB   LYS  60          2HB       LYS  60  -3.137   0.273 -11.542
  464   2HB   LYS  60          1HB       LYS  60  -4.847   0.684 -11.573
  465   1HG   LYS  60          2HG       LYS  60  -2.968   1.601  -9.413
  466   2HG   LYS  60          1HG       LYS  60  -3.305   2.528 -10.877
  467   1HD   LYS  60          2HD       LYS  60  -5.795   1.751  -9.814
  468   2HD   LYS  60          1HD       LYS  60  -4.830   2.348  -8.460
  469   1HE   LYS  60          2HE       LYS  60  -5.882   4.262  -9.283
  470   2HE   LYS  60          1HE       LYS  60  -4.273   4.326 -10.004
  471   1HZ   LYS  60          1HZ       LYS  60  -6.842   4.028 -11.270
  472   2HZ   LYS  60          2HZ       LYS  60  -5.686   2.928 -11.829
  473   3HZ   LYS  60          3HZ       LYS  60  -5.379   4.589 -11.911
  474    H    LEU  61           H        LEU  61  -2.291  -2.122 -10.351
  475    HA   LEU  61           HA       LEU  61  -0.870  -1.224  -7.956
  476   1HB   LEU  61          2HB       LEU  61  -1.484  -4.078  -8.710
  477   2HB   LEU  61          1HB       LEU  61  -0.181  -3.654  -7.616
  478    HG   LEU  61           HG       LEU  61  -2.652  -2.415  -6.770
  479   1HD1  LEU  61          1HD1      LEU  61  -4.123  -4.015  -7.234
  480   2HD1  LEU  61          2HD1      LEU  61  -3.257  -5.025  -6.076
  481   3HD1  LEU  61          3HD1      LEU  61  -2.862  -5.113  -7.793
  482   1HD2  LEU  61          1HD2      LEU  61  -1.038  -4.563  -5.424
  483   2HD2  LEU  61          2HD2      LEU  61  -2.050  -3.329  -4.674
  484   3HD2  LEU  61          3HD2      LEU  61  -0.542  -2.871  -5.468
  485    H    TYR  62           H        TYR  62   1.297  -0.925  -8.330
  486    HA   TYR  62           HA       TYR  62   2.281  -1.793 -10.969
  487   1HB   TYR  62          2HB       TYR  62   2.011   0.695 -10.538
  488   2HB   TYR  62          1HB       TYR  62   3.342   0.549  -9.396
  489    HD1  TYR  62           1HD      TYR  62   5.590   0.471 -10.145
  490    HD2  TYR  62           2HD      TYR  62   2.411   0.171 -12.957
  491    HE1  TYR  62           1HE      TYR  62   7.199   0.741 -11.984
  492    HE2  TYR  62           2HE      TYR  62   4.013   0.441 -14.804
  493    HH   TYR  62           HH       TYR  62   7.426   0.318 -14.305
  494    H    TYR  63           H        TYR  63   3.305  -1.243  -7.607
  495    HA   TYR  63           HA       TYR  63   5.784  -2.676  -8.125
  496   1HB   TYR  63          2HB       TYR  63   4.763  -1.221  -5.684
  497   2HB   TYR  63          1HB       TYR  63   6.317  -2.049  -5.753
  498    HD1  TYR  63           1HD      TYR  63   5.312   1.050  -5.524
  499    HD2  TYR  63           2HD      TYR  63   7.233  -1.351  -8.465
  500    HE1  TYR  63           1HE      TYR  63   6.336   3.066  -6.494
  501    HE2  TYR  63           2HE      TYR  63   8.264   0.656  -9.440
  502    HH   TYR  63           HH       TYR  63   8.681   2.860  -9.123
  503    H    ASN  64           H        ASN  64   6.258  -4.676  -7.478
  504    HA   ASN  64           HA       ASN  64   4.209  -6.175  -5.991
  505   1HB   ASN  64          2HB       ASN  64   6.226  -7.093  -8.045
  506   2HB   ASN  64          1HB       ASN  64   5.227  -8.195  -7.102
  507   1HD2  ASN  64          1HD2      ASN  64   2.903  -8.019  -7.343
  508   2HD2  ASN  64          2HD2      ASN  64   2.245  -7.499  -8.853
  509    H    LEU  65           H        LEU  65   5.506  -8.377  -5.289
  510    HA   LEU  65           HA       LEU  65   6.842  -7.780  -2.962
  511   1HB   LEU  65          2HB       LEU  65   6.915 -10.247  -4.687
  512   2HB   LEU  65          1HB       LEU  65   7.592 -10.172  -3.081
  513    HG   LEU  65           HG       LEU  65   4.947  -9.266  -2.821
  514   1HD1  LEU  65          1HD1      LEU  65   4.806 -10.431  -5.145
  515   2HD1  LEU  65          2HD1      LEU  65   3.571 -10.749  -3.927
  516   3HD1  LEU  65          3HD1      LEU  65   4.866 -11.916  -4.195
  517   1HD2  LEU  65          1HD2      LEU  65   6.620 -11.518  -1.943
  518   2HD2  LEU  65          2HD2      LEU  65   4.881 -11.811  -1.898
  519   3HD2  LEU  65          3HD2      LEU  65   5.569 -10.451  -1.011
  520    H    ASP  66           H        ASP  66   8.084  -7.877  -6.191
  521    HA   ASP  66           HA       ASP  66  10.843  -7.988  -5.205
  522   1HB   ASP  66          2HB       ASP  66   9.514  -8.680  -7.751
  523   2HB   ASP  66          1HB       ASP  66  11.124  -7.980  -7.890
  524    H    ASP  67           H        ASP  67   8.570  -5.823  -6.730
  525    HA   ASP  67           HA       ASP  67  10.567  -3.955  -7.587
  526   1HB   ASP  67          2HB       ASP  67   7.633  -3.373  -7.227
  527   2HB   ASP  67          1HB       ASP  67   8.775  -2.557  -8.288
  528    H    ILE  68           H        ILE  68  11.127  -2.009  -6.735
  529    HA   ILE  68           HA       ILE  68  10.670  -1.699  -3.858
  530    HB   ILE  68           HB       ILE  68  12.652  -0.232  -5.582
  531   1HG1  ILE  68          2HG1      ILE  68  12.861  -2.857  -5.271
  532   2HG1  ILE  68          1HG1      ILE  68  14.272  -1.814  -5.226
  533   1HG2  ILE  68          1HG2      ILE  68  12.987   1.046  -3.823
  534   2HG2  ILE  68          2HG2      ILE  68  13.431  -0.351  -2.853
  535   3HG2  ILE  68          3HG2      ILE  68  11.748   0.169  -2.928
  536   1HD1  ILE  68          1HD1      ILE  68  13.099  -2.181  -2.595
  537   2HD1  ILE  68          2HD1      ILE  68  14.759  -2.425  -3.142
  538   3HD1  ILE  68          3HD1      ILE  68  13.563  -3.708  -3.350
  539    H    ALA  69           H        ALA  69   9.652   0.005  -3.001
  540    HA   ALA  69           HA       ALA  69   8.486   1.929  -4.879
  541   1HB   ALA  69          1HB       ALA  69   6.824   2.372  -3.221
  542   2HB   ALA  69          2HB       ALA  69   7.718   1.464  -2.002
  543   3HB   ALA  69          3HB       ALA  69   6.986   0.622  -3.367
  544    H    TYR  70           H        TYR  70   8.644   4.144  -4.541
  545    HA   TYR  70           HA       TYR  70  10.805   4.963  -2.714
  546   1HB   TYR  70          2HB       TYR  70  10.066   6.724  -4.989
  547   2HB   TYR  70          1HB       TYR  70  11.647   6.391  -4.293
  548    HD1  TYR  70           1HD      TYR  70  11.867   3.487  -4.539
  549    HD2  TYR  70           2HD      TYR  70  10.251   6.322  -7.268
  550    HE1  TYR  70           1HE      TYR  70  12.368   1.967  -6.404
  551    HE2  TYR  70           2HE      TYR  70  10.748   4.809  -9.142
  552    HH   TYR  70           HH       TYR  70  11.391   1.622  -8.815
  553    H    VAL  71           H        VAL  71  10.583   6.876  -1.533
  554    HA   VAL  71           HA       VAL  71   7.872   7.535  -0.833
  555    HB   VAL  71           HB       VAL  71  10.371   8.907   0.150
  556   1HG1  VAL  71          1HG1      VAL  71   8.133   9.947   0.602
  557   2HG1  VAL  71          2HG1      VAL  71   9.070   9.538   2.039
  558   3HG1  VAL  71          3HG1      VAL  71   7.729   8.508   1.538
  559   1HG2  VAL  71          1HG2      VAL  71   9.076   6.654   1.624
  560   2HG2  VAL  71          2HG2      VAL  71  10.721   7.278   1.746
  561   3HG2  VAL  71          3HG2      VAL  71  10.245   6.311   0.349
  562    H    GLY  72           H        GLY  72   6.708   9.283  -1.394
  563   1HA   GLY  72          2HA       GLY  72   6.774  11.708  -1.912
  564   2HA   GLY  72          1HA       GLY  72   8.066  11.329  -3.040
  565    H    LYS  73           H        LYS  73   6.366   8.777  -3.634
  566    HA   LYS  73           HA       LYS  73   4.320  10.073  -5.290
  567   1HB   LYS  73          2HB       LYS  73   6.686   8.614  -6.194
  568   2HB   LYS  73          1HB       LYS  73   5.190   7.986  -6.871
  569   1HG   LYS  73          2HG       LYS  73   6.161  10.832  -7.035
  570   2HG   LYS  73          1HG       LYS  73   6.163   9.644  -8.340
  571   1HD   LYS  73          2HD       LYS  73   3.628   9.491  -7.914
  572   2HD   LYS  73          1HD       LYS  73   3.831  11.008  -7.036
  573   1HE   LYS  73          2HE       LYS  73   3.691  12.086  -8.972
  574   2HE   LYS  73          1HE       LYS  73   5.207  11.328  -9.457
  575   1HZ   LYS  73          1HZ       LYS  73   3.843  10.645 -11.130
  576   2HZ   LYS  73          2HZ       LYS  73   2.458  10.603 -10.159
  577   3HZ   LYS  73          3HZ       LYS  73   3.604   9.364 -10.051
  578    HA   PRO  74           HA       PRO  74   1.616   7.029  -3.465
  579   1HB   PRO  74          2HB       PRO  74   0.296   7.271  -6.137
  580   2HB   PRO  74          1HB       PRO  74  -0.418   7.339  -4.520
  581   1HG   PRO  74          2HG       PRO  74  -0.054   9.574  -5.885
  582   2HG   PRO  74          1HG       PRO  74   0.316   9.520  -4.148
  583   1HD   PRO  74          2HD       PRO  74   2.182   9.466  -6.487
  584   2HD   PRO  74          1HD       PRO  74   2.365  10.273  -4.915
  585    H    LEU  75           H        LEU  75   0.808   4.830  -3.933
  586    HA   LEU  75           HA       LEU  75   2.463   3.475  -5.962
  587   1HB   LEU  75          2HB       LEU  75   3.261   3.089  -3.665
  588   2HB   LEU  75          1HB       LEU  75   1.687   2.448  -3.234
  589    HG   LEU  75           HG       LEU  75   3.247   1.180  -5.453
  590   1HD1  LEU  75          1HD1      LEU  75   3.545   0.177  -2.665
  591   2HD1  LEU  75          2HD1      LEU  75   4.567   1.512  -3.203
  592   3HD1  LEU  75          3HD1      LEU  75   4.604  -0.031  -4.060
  593   1HD2  LEU  75          1HD2      LEU  75   1.553  -0.250  -5.399
  594   2HD2  LEU  75          2HD2      LEU  75   0.791   0.707  -4.129
  595   3HD2  LEU  75          3HD2      LEU  75   1.888  -0.607  -3.705
  596    H    VAL  76           H        VAL  76  -0.501   3.114  -3.990
  597    HA   VAL  76           HA       VAL  76  -1.819   1.974  -6.348
  598    HB   VAL  76           HB       VAL  76  -1.073   0.015  -5.143
  599   1HG1  VAL  76          1HG1      VAL  76  -2.669   0.304  -2.751
  600   2HG1  VAL  76          2HG1      VAL  76  -1.448   1.570  -2.876
  601   3HG1  VAL  76          3HG1      VAL  76  -0.968  -0.126  -2.927
  602   1HG2  VAL  76          1HG2      VAL  76  -3.608   0.431  -5.989
  603   2HG2  VAL  76          2HG2      VAL  76  -3.898  -0.027  -4.312
  604   3HG2  VAL  76          3HG2      VAL  76  -3.013  -1.113  -5.380
  605    H    ASP  77           H        ASP  77  -4.066   2.247  -6.419
  606    HA   ASP  77           HA       ASP  77  -5.122   4.094  -4.393
  607   1HB   ASP  77          2HB       ASP  77  -6.455   3.677  -7.038
  608   2HB   ASP  77          1HB       ASP  77  -6.455   5.102  -6.007
  609    H    ILE  78           H        ILE  78  -6.587   3.358  -3.044
  610    HA   ILE  78           HA       ILE  78  -8.331   1.131  -3.852
  611    HB   ILE  78           HB       ILE  78  -7.343   1.270  -1.038
  612   1HG1  ILE  78          2HG1      ILE  78  -5.657  -0.578  -2.004
  613   2HG1  ILE  78          1HG1      ILE  78  -5.759   0.465  -3.420
  614   1HG2  ILE  78          1HG2      ILE  78  -9.078  -0.262  -1.319
  615   2HG2  ILE  78          2HG2      ILE  78  -7.619  -1.250  -1.341
  616   3HG2  ILE  78          3HG2      ILE  78  -8.434  -0.850  -2.851
  617   1HD1  ILE  78          1HD1      ILE  78  -4.326   1.863  -2.511
  618   2HD1  ILE  78          2HD1      ILE  78  -4.193   0.806  -1.105
  619   3HD1  ILE  78          3HD1      ILE  78  -5.396   2.099  -1.127
  620    H    GLU  79           H        GLU  79 -10.389   1.099  -2.838
  621    HA   GLU  79           HA       GLU  79 -11.125   3.701  -1.704
  622   1HB   GLU  79          2HB       GLU  79 -12.347   2.064  -3.612
  623   2HB   GLU  79          1HB       GLU  79 -13.342   1.892  -2.172
  624   1HG   GLU  79          2HG       GLU  79 -13.645   4.284  -2.051
  625   2HG   GLU  79          1HG       GLU  79 -12.563   4.514  -3.425
  626    H    THR  80           H        THR  80 -11.186   3.841   0.414
  627    HA   THR  80           HA       THR  80 -12.274   1.608   1.983
  628    HB   THR  80           HB       THR  80 -10.418   2.688   3.702
  629    HG1  THR  80           1HG      THR  80  -9.001   2.298   1.286
  630   1HG2  THR  80          1HG2      THR  80 -10.994   0.211   2.647
  631   2HG2  THR  80          2HG2      THR  80  -9.754   0.548   3.857
  632   3HG2  THR  80          3HG2      THR  80  -9.323   0.472   2.147
  633    H    GLU  81           H        GLU  81 -13.129   2.266   4.067
  634    HA   GLU  81           HA       GLU  81 -14.671   4.586   3.965
  635   1HB   GLU  81          2HB       GLU  81 -14.965   2.510   5.449
  636   2HB   GLU  81          1HB       GLU  81 -13.829   3.281   6.547
  637   1HG   GLU  81          2HG       GLU  81 -15.428   4.546   7.403
  638   2HG   GLU  81          1HG       GLU  81 -15.879   5.139   5.805
  639    H    ALA  82           H        ALA  82 -14.533   6.565   5.099
  640    HA   ALA  82           HA       ALA  82 -12.278   8.031   4.902
  641   1HB   ALA  82          1HB       ALA  82 -14.682   8.251   6.600
  642   2HB   ALA  82          2HB       ALA  82 -14.006   9.384   5.430
  643   3HB   ALA  82          3HB       ALA  82 -13.307   9.262   7.044
  644    H    LEU  83           H        LEU  83 -10.291   7.607   5.603
  645    HA   LEU  83           HA       LEU  83  -9.948   6.833   8.424
  646   1HB   LEU  83          2HB       LEU  83  -9.213   5.362   6.151
  647   2HB   LEU  83          1HB       LEU  83  -7.720   6.039   6.772
  648    HG   LEU  83           HG       LEU  83  -8.947   5.056   9.044
  649   1HD1  LEU  83          1HD1      LEU  83 -10.069   3.715   6.774
  650   2HD1  LEU  83          2HD1      LEU  83 -10.405   3.477   8.489
  651   3HD1  LEU  83          3HD1      LEU  83  -9.093   2.588   7.715
  652   1HD2  LEU  83          1HD2      LEU  83  -7.265   3.035   8.230
  653   2HD2  LEU  83          2HD2      LEU  83  -6.793   4.488   9.112
  654   3HD2  LEU  83          3HD2      LEU  83  -6.660   4.442   7.355
  655    H    LYS  84           H        LYS  84  -8.860   8.267   9.581
  656    HA   LYS  84           HA       LYS  84  -7.841  10.656   8.624
  657   1HB   LYS  84          2HB       LYS  84  -6.642  10.803  10.818
  658   2HB   LYS  84          1HB       LYS  84  -8.355  10.425  10.951
  659   1HG   LYS  84          2HG       LYS  84  -7.955   8.239  11.597
  660   2HG   LYS  84          1HG       LYS  84  -6.324   8.233  10.923
  661   1HD   LYS  84          2HD       LYS  84  -5.792  10.011  12.690
  662   2HD   LYS  84          1HD       LYS  84  -7.306   9.522  13.452
  663   1HE   LYS  84          2HE       LYS  84  -5.649   7.251  12.734
  664   2HE   LYS  84          1HE       LYS  84  -4.820   8.361  13.824
  665   1HZ   LYS  84          1HZ       LYS  84  -6.892   6.518  14.395
  666   2HZ   LYS  84          2HZ       LYS  84  -7.384   8.081  14.814
  667   3HZ   LYS  84          3HZ       LYS  84  -5.962   7.440  15.467
  668    H    ASP  85           H        ASP  85  -6.390   7.529   8.622
  669    HA   ASP  85           HA       ASP  85  -3.722   7.850   8.755
  670   1HB   ASP  85          2HB       ASP  85  -5.326   5.870   7.843
  671   2HB   ASP  85          1HB       ASP  85  -4.565   6.374   6.337
  672    H    LEU  86           H        LEU  86  -5.623   8.566   5.820
  673    HA   LEU  86           HA       LEU  86  -3.324  10.140   4.854
  674   1HB   LEU  86          2HB       LEU  86  -4.219   8.036   3.562
  675   2HB   LEU  86          1HB       LEU  86  -5.459   9.148   3.015
  676    HG   LEU  86           HG       LEU  86  -3.361  10.642   2.390
  677   1HD1  LEU  86          1HD1      LEU  86  -1.465   9.372   1.676
  678   2HD1  LEU  86          2HD1      LEU  86  -2.254   7.855   2.110
  679   3HD1  LEU  86          3HD1      LEU  86  -1.773   8.990   3.371
  680   1HD2  LEU  86          1HD2      LEU  86  -4.616   8.377   0.887
  681   2HD2  LEU  86          2HD2      LEU  86  -3.358   9.366   0.146
  682   3HD2  LEU  86          3HD2      LEU  86  -4.857  10.113   0.695
  683    H    GLU  87           H        GLU  87  -6.743  10.101   5.493
  684    HA   GLU  87           HA       GLU  87  -6.811  12.991   5.232
  685   1HB   GLU  87          2HB       GLU  87  -8.448  11.121   3.546
  686   2HB   GLU  87          1HB       GLU  87  -9.061  12.715   3.965
  687   1HG   GLU  87          2HG       GLU  87  -6.642  13.409   3.066
  688   2HG   GLU  87          1HG       GLU  87  -6.888  11.938   2.127
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1  17.711   8.899   1.255
    2   2H    MET   1          2HT       MET   1  18.836   8.272   2.352
    3   3H    MET   1          3HT       MET   1  19.314   9.442   1.228
    4    HA   MET   1           HA       MET   1  19.054  10.837   2.944
    5   1HB   MET   1          2HB       MET   1  17.183  11.125   1.169
    6   2HB   MET   1          1HB       MET   1  16.111  10.506   2.418
    7   1HG   MET   1          2HG       MET   1  15.887  12.675   2.930
    8   2HG   MET   1          1HG       MET   1  17.392  12.414   3.809
    9   1HE   MET   1          1HE       MET   1  17.271  15.590   3.152
   10   2HE   MET   1          2HE       MET   1  18.984  15.474   2.752
   11   3HE   MET   1          3HE       MET   1  18.299  14.438   4.004
   12    H    GLY   2           H        GLY   2  16.980   8.022   3.277
   13   1HA   GLY   2          2HA       GLY   2  17.025   6.760   5.327
   14   2HA   GLY   2          1HA       GLY   2  17.257   8.267   6.198
   15    H    GLN   3           H        GLN   3  14.933   8.483   3.716
   16    HA   GLN   3           HA       GLN   3  12.798   8.346   5.731
   17   1HB   GLN   3          2HB       GLN   3  13.315  10.111   3.421
   18   2HB   GLN   3          1HB       GLN   3  11.640   9.621   3.643
   19   1HG   GLN   3          2HG       GLN   3  11.721  11.562   4.856
   20   2HG   GLN   3          1HG       GLN   3  12.025  10.352   6.102
   21   1HE2  GLN   3          1HE2      GLN   3  13.212  11.547   7.485
   22   2HE2  GLN   3          2HE2      GLN   3  14.745  12.245   7.102
   23    H    VAL   4           H        VAL   4  10.775   7.442   5.164
   24    HA   VAL   4           HA       VAL   4  10.980   5.365   3.091
   25    HB   VAL   4           HB       VAL   4   9.223   4.157   4.337
   26   1HG1  VAL   4          1HG1      VAL   4  11.184   3.260   5.009
   27   2HG1  VAL   4          2HG1      VAL   4  10.715   3.982   6.549
   28   3HG1  VAL   4          3HG1      VAL   4  11.857   4.817   5.495
   29   1HG2  VAL   4          1HG2      VAL   4   8.154   6.129   5.345
   30   2HG2  VAL   4          2HG2      VAL   4   9.545   6.317   6.413
   31   3HG2  VAL   4          3HG2      VAL   4   8.527   4.880   6.534
   32    H    VAL   5           H        VAL   5   9.301   5.018   1.668
   33    HA   VAL   5           HA       VAL   5   7.466   7.276   1.317
   34    HB   VAL   5           HB       VAL   5   7.078   6.400  -0.933
   35   1HG1  VAL   5          1HG1      VAL   5   9.015   7.201  -1.832
   36   2HG1  VAL   5          2HG1      VAL   5  10.038   6.285  -0.726
   37   3HG1  VAL   5          3HG1      VAL   5   9.224   7.747  -0.168
   38   1HG2  VAL   5          1HG2      VAL   5   8.387   4.479  -1.767
   39   2HG2  VAL   5          2HG2      VAL   5   7.256   4.022  -0.492
   40   3HG2  VAL   5          3HG2      VAL   5   8.974   4.193  -0.129
   41    H    GLN   6           H        GLN   6   5.380   7.054   1.850
   42    HA   GLN   6           HA       GLN   6   4.449   4.417   2.627
   43   1HB   GLN   6          2HB       GLN   6   3.344   7.171   3.160
   44   2HB   GLN   6          1HB       GLN   6   2.682   5.679   3.791
   45   1HG   GLN   6          2HG       GLN   6   4.066   5.747   5.503
   46   2HG   GLN   6          1HG       GLN   6   5.450   5.763   4.412
   47   1HE2  GLN   6          1HE2      GLN   6   5.981   7.920   3.475
   48   2HE2  GLN   6          2HE2      GLN   6   5.837   9.296   4.508
   49    H    PHE   7           H        PHE   7   2.547   3.508   1.926
   50    HA   PHE   7           HA       PHE   7   1.530   4.552  -0.609
   51   1HB   PHE   7          2HB       PHE   7   2.218   2.305  -0.873
   52   2HB   PHE   7          1HB       PHE   7   1.512   1.820   0.662
   53    HD1  PHE   7           1HD      PHE   7  -0.455   0.649   0.618
   54    HD2  PHE   7           2HD      PHE   7   0.459   3.266  -2.607
   55    HE1  PHE   7           1HE      PHE   7  -2.507  -0.058  -0.530
   56    HE2  PHE   7           2HE      PHE   7  -1.591   2.564  -3.764
   57    HZ   PHE   7           HZ       PHE   7  -3.082   0.899  -2.728
   58    H    LYS   8           H        LYS   8  -0.596   5.006  -0.920
   59    HA   LYS   8           HA       LYS   8  -2.378   4.849   1.413
   60   1HB   LYS   8          2HB       LYS   8  -3.283   7.040   0.875
   61   2HB   LYS   8          1HB       LYS   8  -1.548   7.149   1.142
   62   1HG   LYS   8          2HG       LYS   8  -2.350   6.726  -1.649
   63   2HG   LYS   8          1HG       LYS   8  -2.851   8.264  -0.941
   64   1HD   LYS   8          2HD       LYS   8  -0.033   7.225  -0.753
   65   2HD   LYS   8          1HD       LYS   8  -0.589   8.233  -2.090
   66   1HE   LYS   8          2HE       LYS   8  -1.397   9.430   0.372
   67   2HE   LYS   8          1HE       LYS   8   0.322   9.047   0.460
   68   1HZ   LYS   8          1HZ       LYS   8  -1.018  11.057  -1.079
   69   2HZ   LYS   8          2HZ       LYS   8   0.029  10.119  -2.019
   70   3HZ   LYS   8          3HZ       LYS   8   0.616  10.933  -0.657
   71    H    LEU   9           H        LEU   9  -4.577   4.614   0.998
   72    HA   LEU   9           HA       LEU   9  -5.472   2.848  -0.817
   73   1HB   LEU   9          2HB       LEU   9  -6.742   3.906   1.079
   74   2HB   LEU   9          1HB       LEU   9  -7.105   5.241  -0.001
   75    HG   LEU   9           HG       LEU   9  -8.898   3.439   0.322
   76   1HD1  LEU   9          1HD1      LEU   9  -9.458   4.893  -1.291
   77   2HD1  LEU   9          2HD1      LEU   9  -9.326   3.418  -2.243
   78   3HD1  LEU   9          3HD1      LEU   9  -8.022   4.594  -2.252
   79   1HD2  LEU   9          1HD2      LEU   9  -8.663   1.364  -0.429
   80   2HD2  LEU   9          2HD2      LEU   9  -6.931   1.689  -0.312
   81   3HD2  LEU   9          3HD2      LEU   9  -7.760   1.870  -1.859
   82    H    SER  10           H        SER  10  -6.362   2.814  -2.861
   83    HA   SER  10           HA       SER  10  -5.109   4.275  -4.803
   84   1HB   SER  10          2HB       SER  10  -6.709   3.341  -6.376
   85   2HB   SER  10          1HB       SER  10  -6.276   2.131  -5.169
   86    HG   SER  10           HG       SER  10  -8.637   2.607  -5.772
   87    H    ASP  11           H        ASP  11  -8.692   4.641  -4.841
   88    HA   ASP  11           HA       ASP  11  -8.175   7.529  -4.846
   89   1HB   ASP  11          2HB       ASP  11  -8.689   6.063  -7.140
   90   2HB   ASP  11          1HB       ASP  11 -10.222   6.853  -6.778
   91    H    ILE  12           H        ILE  12 -10.558   5.033  -4.116
   92    HA   ILE  12           HA       ILE  12 -12.709   6.837  -3.753
   93    HB   ILE  12           HB       ILE  12 -13.859   5.135  -2.546
   94   1HG1  ILE  12          2HG1      ILE  12 -11.139   4.239  -1.910
   95   2HG1  ILE  12          1HG1      ILE  12 -12.592   4.183  -0.942
   96   1HG2  ILE  12          1HG2      ILE  12 -12.168   3.882  -4.685
   97   2HG2  ILE  12          2HG2      ILE  12 -13.615   4.856  -4.942
   98   3HG2  ILE  12          3HG2      ILE  12 -13.734   3.301  -4.119
   99   1HD1  ILE  12          1HD1      ILE  12 -13.243   2.121  -1.887
  100   2HD1  ILE  12          2HD1      ILE  12 -11.514   1.973  -1.548
  101   3HD1  ILE  12          3HD1      ILE  12 -12.071   2.264  -3.198
  102    H    GLY  13           H        GLY  13 -12.754   8.486  -2.404
  103   1HA   GLY  13          2HA       GLY  13 -11.304   8.208   0.139
  104   2HA   GLY  13          1HA       GLY  13 -11.537   9.729  -0.706
  105    H    GLU  14           H        GLU  14 -12.147   9.735   1.885
  106    HA   GLU  14           HA       GLU  14 -14.504   8.918   2.917
  107   1HB   GLU  14          2HB       GLU  14 -12.932  11.420   3.219
  108   2HB   GLU  14          1HB       GLU  14 -14.559  11.414   3.886
  109   1HG   GLU  14          2HG       GLU  14 -13.472  10.648   5.703
  110   2HG   GLU  14          1HG       GLU  14 -13.698   9.101   4.888
  111    H    GLY  15           H        GLY  15 -16.270   8.692   1.633
  112   1HA   GLY  15          2HA       GLY  15 -18.207  10.535   1.372
  113   2HA   GLY  15          1HA       GLY  15 -17.201  10.881  -0.028
  114    H    ILE  16           H        ILE  16 -16.497   7.947  -0.155
  115    HA   ILE  16           HA       ILE  16 -19.046   6.920  -1.187
  116    HB   ILE  16           HB       ILE  16 -18.078   6.098  -3.164
  117   1HG1  ILE  16          2HG1      ILE  16 -15.878   5.394  -2.049
  118   2HG1  ILE  16          1HG1      ILE  16 -15.776   5.974  -3.705
  119   1HG2  ILE  16          1HG2      ILE  16 -16.617   8.402  -3.718
  120   2HG2  ILE  16          2HG2      ILE  16 -17.798   8.877  -2.498
  121   3HG2  ILE  16          3HG2      ILE  16 -18.336   8.128  -4.000
  122   1HD1  ILE  16          1HD1      ILE  16 -14.381   7.577  -3.125
  123   2HD1  ILE  16          2HD1      ILE  16 -14.295   6.826  -1.529
  124   3HD1  ILE  16          3HD1      ILE  16 -15.447   8.133  -1.838
  125    H    ARG  17           H        ARG  17 -18.007   4.466  -2.097
  126    HA   ARG  17           HA       ARG  17 -17.773   3.078   0.415
  127   1HB   ARG  17          2HB       ARG  17 -17.839   2.150  -2.459
  128   2HB   ARG  17          1HB       ARG  17 -17.638   1.044  -1.107
  129   1HG   ARG  17          2HG       ARG  17 -19.911   2.841  -0.797
  130   2HG   ARG  17          1HG       ARG  17 -20.019   1.800  -2.217
  131   1HD   ARG  17          2HD       ARG  17 -20.368  -0.032  -0.982
  132   2HD   ARG  17          1HD       ARG  17 -19.102   0.398   0.167
  133    HE   ARG  17           HE       ARG  17 -21.521   1.945   0.425
  134   1HH1  ARG  17          1HH1      ARG  17 -19.823  -0.938   1.391
  135   2HH1  ARG  17          2HH1      ARG  17 -20.715  -1.126   2.863
  136   1HH2  ARG  17          1HH2      ARG  17 -22.699   1.710   2.361
  137   2HH2  ARG  17          2HH2      ARG  17 -22.352   0.380   3.415
  138    H    GLU  18           H        GLU  18 -15.987   1.944   1.163
  139    HA   GLU  18           HA       GLU  18 -13.452   2.744  -0.055
  140   1HB   GLU  18          2HB       GLU  18 -14.030   1.621   2.688
  141   2HB   GLU  18          1HB       GLU  18 -12.444   2.126   2.111
  142   1HG   GLU  18          2HG       GLU  18 -14.860   3.831   2.631
  143   2HG   GLU  18          1HG       GLU  18 -13.284   3.903   3.421
  144    H    VAL  19           H        VAL  19 -11.618   0.955   0.298
  145    HA   VAL  19           HA       VAL  19 -12.870  -1.586  -0.562
  146    HB   VAL  19           HB       VAL  19 -11.837  -0.379  -2.458
  147   1HG1  VAL  19          1HG1      VAL  19  -9.982   0.752  -1.721
  148   2HG1  VAL  19          2HG1      VAL  19  -9.234  -0.663  -2.462
  149   3HG1  VAL  19          3HG1      VAL  19  -9.429  -0.585  -0.712
  150   1HG2  VAL  19          1HG2      VAL  19 -10.638  -3.024  -1.660
  151   2HG2  VAL  19          2HG2      VAL  19 -10.508  -2.328  -3.275
  152   3HG2  VAL  19          3HG2      VAL  19 -12.091  -2.750  -2.622
  153    H    THR  20           H        THR  20 -11.925  -3.515  -0.051
  154    HA   THR  20           HA       THR  20 -10.100  -3.439   2.243
  155    HB   THR  20           HB       THR  20 -11.286  -6.009   1.352
  156    HG1  THR  20           1HG      THR  20 -13.207  -5.093   1.257
  157   1HG2  THR  20          1HG2      THR  20 -11.425  -6.447   3.695
  158   2HG2  THR  20          2HG2      THR  20 -11.173  -4.750   4.090
  159   3HG2  THR  20          3HG2      THR  20  -9.856  -5.697   3.399
  160    H    VAL  21           H        VAL  21  -8.352  -4.991   2.347
  161    HA   VAL  21           HA       VAL  21  -6.979  -5.176  -0.185
  162    HB   VAL  21           HB       VAL  21  -6.138  -6.264   2.505
  163   1HG1  VAL  21          1HG1      VAL  21  -4.906  -6.230  -0.171
  164   2HG1  VAL  21          2HG1      VAL  21  -4.659  -7.336   1.180
  165   3HG1  VAL  21          3HG1      VAL  21  -3.853  -5.767   1.165
  166   1HG2  VAL  21          1HG2      VAL  21  -5.510  -4.218   3.114
  167   2HG2  VAL  21          2HG2      VAL  21  -6.460  -3.613   1.757
  168   3HG2  VAL  21          3HG2      VAL  21  -4.734  -3.918   1.559
  169    H    LYS  22           H        LYS  22  -6.960  -6.858  -1.528
  170    HA   LYS  22           HA       LYS  22  -8.309  -9.309  -0.685
  171   1HB   LYS  22          2HB       LYS  22  -8.681  -7.860  -2.904
  172   2HB   LYS  22          1HB       LYS  22  -7.431  -8.944  -3.497
  173   1HG   LYS  22          2HG       LYS  22  -9.067 -10.375  -3.951
  174   2HG   LYS  22          1HG       LYS  22  -9.195 -10.633  -2.210
  175   1HD   LYS  22          2HD       LYS  22 -10.597  -8.243  -3.109
  176   2HD   LYS  22          1HD       LYS  22 -11.199  -9.719  -3.868
  177   1HE   LYS  22          2HE       LYS  22 -12.474  -9.770  -1.991
  178   2HE   LYS  22          1HE       LYS  22 -11.048 -10.591  -1.357
  179   1HZ   LYS  22          1HZ       LYS  22 -12.133  -8.006  -0.684
  180   2HZ   LYS  22          2HZ       LYS  22 -10.459  -8.000  -0.929
  181   3HZ   LYS  22          3HZ       LYS  22 -11.139  -9.034   0.223
  182    H    GLU  23           H        GLU  23  -5.158  -8.141  -1.608
  183    HA   GLU  23           HA       GLU  23  -4.099 -10.821  -1.091
  184   1HB   GLU  23          2HB       GLU  23  -4.010  -9.399  -3.641
  185   2HB   GLU  23          1HB       GLU  23  -2.425  -9.917  -3.083
  186   1HG   GLU  23          2HG       GLU  23  -4.540 -11.943  -2.888
  187   2HG   GLU  23          1HG       GLU  23  -4.120 -11.444  -4.526
  188    H    TRP  24           H        TRP  24  -2.652 -10.702   0.461
  189    HA   TRP  24           HA       TRP  24  -0.936  -8.309   0.652
  190   1HB   TRP  24          2HB       TRP  24  -2.539  -9.710   2.690
  191   2HB   TRP  24          1HB       TRP  24  -0.885  -9.363   3.178
  192    HD1  TRP  24           HD       TRP  24  -4.154  -7.892   3.382
  193    HE1  TRP  24           1HE      TRP  24  -4.058  -5.351   3.755
  194    HE3  TRP  24           3HE      TRP  24   0.734  -7.081   2.139
  195    HZ2  TRP  24           2HZ      TRP  24  -2.165  -3.275   3.544
  196    HZ3  TRP  24           3HZ      TRP  24   1.606  -4.782   2.250
  197    HH2  TRP  24           HH       TRP  24   0.186  -2.921   2.934
  198    H    TYR  25           H        TYR  25   1.101  -8.815   0.108
  199    HA   TYR  25           HA       TYR  25   2.039 -11.542   0.719
  200   1HB   TYR  25          2HB       TYR  25   2.300  -9.859  -1.646
  201   2HB   TYR  25          1HB       TYR  25   3.846 -10.497  -1.097
  202    HD1  TYR  25           1HD      TYR  25   0.535 -11.361  -2.425
  203    HD2  TYR  25           2HD      TYR  25   4.314 -12.875  -1.184
  204    HE1  TYR  25           1HE      TYR  25   0.019 -13.513  -3.497
  205    HE2  TYR  25           2HE      TYR  25   3.808 -15.028  -2.255
  206    HH   TYR  25           HH       TYR  25   0.747 -15.925  -3.226
  207    H    VAL  26           H        VAL  26   2.232  -8.623   2.074
  208    HA   VAL  26           HA       VAL  26   4.949  -9.140   3.050
  209    HB   VAL  26           HB       VAL  26   5.573  -6.824   2.994
  210   1HG1  VAL  26          1HG1      VAL  26   6.232  -7.647   0.974
  211   2HG1  VAL  26          2HG1      VAL  26   5.138  -6.376   0.430
  212   3HG1  VAL  26          3HG1      VAL  26   4.590  -8.049   0.474
  213   1HG2  VAL  26          1HG2      VAL  26   3.781  -5.381   1.569
  214   2HG2  VAL  26          2HG2      VAL  26   3.871  -5.387   3.330
  215   3HG2  VAL  26          3HG2      VAL  26   2.703  -6.417   2.502
  216    H    LYS  27           H        LYS  27   5.394  -8.057   5.152
  217    HA   LYS  27           HA       LYS  27   2.959  -7.469   6.689
  218   1HB   LYS  27          2HB       LYS  27   5.151  -9.340   7.597
  219   2HB   LYS  27          1HB       LYS  27   3.747  -8.861   8.542
  220   1HG   LYS  27          2HG       LYS  27   3.506 -10.274   5.905
  221   2HG   LYS  27          1HG       LYS  27   3.663 -11.135   7.438
  222   1HD   LYS  27          2HD       LYS  27   1.558  -9.035   7.025
  223   2HD   LYS  27          1HD       LYS  27   1.300 -10.708   6.527
  224   1HE   LYS  27          2HE       LYS  27   0.955 -11.383   8.627
  225   2HE   LYS  27          1HE       LYS  27   2.359 -10.500   9.225
  226   1HZ   LYS  27          1HZ       LYS  27  -0.426  -9.582   8.953
  227   2HZ   LYS  27          2HZ       LYS  27   0.837  -8.457   8.950
  228   3HZ   LYS  27          3HZ       LYS  27   0.610  -9.469  10.286
  229    H    GLU  28           H        GLU  28   3.556  -6.670   8.933
  230    HA   GLU  28           HA       GLU  28   5.049  -4.307   8.704
  231   1HB   GLU  28          2HB       GLU  28   4.619  -5.588  11.378
  232   2HB   GLU  28          1HB       GLU  28   4.515  -3.893  10.931
  233   1HG   GLU  28          2HG       GLU  28   2.461  -4.653   9.539
  234   2HG   GLU  28          1HG       GLU  28   2.498  -6.064  10.595
  235    H    GLY  29           H        GLY  29   7.162  -3.824   9.032
  236   1HA   GLY  29          2HA       GLY  29   9.361  -4.076   9.709
  237   2HA   GLY  29          1HA       GLY  29   8.875  -5.493  10.625
  238    H    ASP  30           H        ASP  30   7.742  -5.873   7.528
  239    HA   ASP  30           HA       ASP  30   9.978  -7.647   6.879
  240   1HB   ASP  30          2HB       ASP  30   7.164  -7.527   5.776
  241   2HB   ASP  30          1HB       ASP  30   8.396  -8.670   5.253
  242    H    THR  31           H        THR  31  10.800  -7.764   4.725
  243    HA   THR  31           HA       THR  31  10.836  -5.140   3.426
  244    HB   THR  31           HB       THR  31  12.672  -7.456   2.826
  245    HG1  THR  31           1HG      THR  31  13.758  -6.997   4.588
  246   1HG2  THR  31          1HG2      THR  31  13.212  -4.509   2.563
  247   2HG2  THR  31          2HG2      THR  31  12.458  -5.440   1.270
  248   3HG2  THR  31          3HG2      THR  31  14.080  -5.855   1.824
  249    H    VAL  32           H        VAL  32  10.594  -4.923   1.185
  250    HA   VAL  32           HA       VAL  32   8.979  -7.029  -0.053
  251    HB   VAL  32           HB       VAL  32   8.805  -4.785  -1.700
  252   1HG1  VAL  32          1HG1      VAL  32   6.652  -5.299  -1.526
  253   2HG1  VAL  32          2HG1      VAL  32   6.636  -4.966   0.206
  254   3HG1  VAL  32          3HG1      VAL  32   7.135  -6.550  -0.382
  255   1HG2  VAL  32          1HG2      VAL  32   8.008  -3.003  -0.167
  256   2HG2  VAL  32          2HG2      VAL  32   9.739  -3.311  -0.040
  257   3HG2  VAL  32          3HG2      VAL  32   8.639  -3.933   1.191
  258    H    SER  33           H        SER  33   9.221  -7.432  -2.318
  259    HA   SER  33           HA       SER  33  11.892  -6.812  -3.383
  260   1HB   SER  33          2HB       SER  33  10.541  -9.459  -3.074
  261   2HB   SER  33          1HB       SER  33  11.540  -9.199  -4.504
  262    HG   SER  33           HG       SER  33  13.238  -9.401  -3.296
  263    H    GLN  34           H        GLN  34  12.018  -6.955  -5.750
  264    HA   GLN  34           HA       GLN  34  10.043  -5.488  -7.021
  265   1HB   GLN  34          2HB       GLN  34  12.269  -7.222  -8.027
  266   2HB   GLN  34          1HB       GLN  34  11.124  -6.522  -9.164
  267   1HG   GLN  34          2HG       GLN  34  11.698  -4.301  -8.455
  268   2HG   GLN  34          1HG       GLN  34  12.733  -4.937  -7.178
  269   1HE2  GLN  34          1HE2      GLN  34  14.792  -4.766  -7.639
  270   2HE2  GLN  34          2HE2      GLN  34  15.511  -4.917  -9.202
  271    H    PHE  35           H        PHE  35  10.198  -8.896  -6.437
  272    HA   PHE  35           HA       PHE  35   7.993  -9.392  -8.301
  273   1HB   PHE  35          2HB       PHE  35  10.253 -10.867  -7.706
  274   2HB   PHE  35          1HB       PHE  35   8.984 -11.699  -6.814
  275    HD1  PHE  35           1HD      PHE  35  10.726 -11.938  -9.674
  276    HD2  PHE  35           2HD      PHE  35   6.674 -11.641  -8.410
  277    HE1  PHE  35           1HE      PHE  35  10.002 -13.054 -11.745
  278    HE2  PHE  35           2HE      PHE  35   5.942 -12.755 -10.477
  279    HZ   PHE  35           HZ       PHE  35   7.607 -13.464 -12.148
  280    H    ASP  36           H        ASP  36   8.637  -8.989  -4.952
  281    HA   ASP  36           HA       ASP  36   6.159 -10.324  -4.171
  282   1HB   ASP  36          2HB       ASP  36   8.491  -9.210  -2.632
  283   2HB   ASP  36          1HB       ASP  36   6.982  -9.629  -1.828
  284    H    SER  37           H        SER  37   4.508  -9.002  -4.812
  285    HA   SER  37           HA       SER  37   4.474  -6.200  -4.626
  286   1HB   SER  37          2HB       SER  37   1.873  -6.664  -4.593
  287   2HB   SER  37          1HB       SER  37   2.824  -6.991  -6.041
  288    HG   SER  37           HG       SER  37   1.330  -8.698  -5.188
  289    H    ILE  38           H        ILE  38   3.104  -4.874  -3.199
  290    HA   ILE  38           HA       ILE  38   3.480  -5.687  -0.433
  291    HB   ILE  38           HB       ILE  38   2.484  -3.089  -1.614
  292   1HG1  ILE  38          2HG1      ILE  38   5.136  -4.137  -0.707
  293   2HG1  ILE  38          1HG1      ILE  38   4.744  -3.199  -2.138
  294   1HG2  ILE  38          1HG2      ILE  38   3.261  -3.557   1.264
  295   2HG2  ILE  38          2HG2      ILE  38   1.593  -3.624   0.696
  296   3HG2  ILE  38          3HG2      ILE  38   2.511  -2.127   0.556
  297   1HD1  ILE  38          1HD1      ILE  38   6.068  -1.866  -0.669
  298   2HD1  ILE  38          2HD1      ILE  38   4.988  -2.194   0.686
  299   3HD1  ILE  38          3HD1      ILE  38   4.427  -1.218  -0.673
  300    H    CYS  39           H        CYS  39   0.719  -4.040  -1.979
  301    HA   CYS  39           HA       CYS  39  -1.060  -6.064  -0.842
  302   1HB   CYS  39          2HB       CYS  39  -2.587  -3.977  -0.270
  303   2HB   CYS  39          1HB       CYS  39  -1.395  -4.585   0.870
  304    HG   CYS  39           HG       CYS  39  -1.517  -1.709   0.744
  305    H    GLU  40           H        GLU  40  -3.141  -6.155  -1.781
  306    HA   GLU  40           HA       GLU  40  -3.487  -4.657  -4.282
  307   1HB   GLU  40          2HB       GLU  40  -3.329  -7.601  -3.906
  308   2HB   GLU  40          1HB       GLU  40  -4.557  -7.007  -5.014
  309   1HG   GLU  40          2HG       GLU  40  -3.061  -6.566  -6.594
  310   2HG   GLU  40          1HG       GLU  40  -1.975  -5.764  -5.461
  311    H    VAL  41           H        VAL  41  -5.436  -3.735  -4.381
  312    HA   VAL  41           HA       VAL  41  -7.585  -4.857  -2.704
  313    HB   VAL  41           HB       VAL  41  -8.469  -2.612  -2.409
  314   1HG1  VAL  41          1HG1      VAL  41  -6.500  -1.618  -1.135
  315   2HG1  VAL  41          2HG1      VAL  41  -5.581  -3.018  -1.689
  316   3HG1  VAL  41          3HG1      VAL  41  -7.009  -3.244  -0.679
  317   1HG2  VAL  41          1HG2      VAL  41  -6.562  -1.998  -4.521
  318   2HG2  VAL  41          2HG2      VAL  41  -6.485  -0.864  -3.173
  319   3HG2  VAL  41          3HG2      VAL  41  -8.011  -1.129  -4.016
  320    H    GLN  42           H        GLN  42  -9.631  -4.997  -3.538
  321    HA   GLN  42           HA       GLN  42 -10.031  -4.120  -6.312
  322   1HB   GLN  42          2HB       GLN  42 -10.549  -6.871  -5.191
  323   2HB   GLN  42          1HB       GLN  42 -11.293  -6.296  -6.678
  324   1HG   GLN  42          2HG       GLN  42  -9.500  -6.912  -7.808
  325   2HG   GLN  42          1HG       GLN  42  -8.521  -5.786  -6.869
  326   1HE2  GLN  42          1HE2      GLN  42  -6.787  -6.743  -6.111
  327   2HE2  GLN  42          2HE2      GLN  42  -6.698  -8.347  -5.475
  328    H    SER  43           H        SER  43 -11.742  -2.846  -6.408
  329    HA   SER  43           HA       SER  43 -14.007  -3.385  -4.606
  330   1HB   SER  43          2HB       SER  43 -12.474  -1.276  -4.188
  331   2HB   SER  43          1HB       SER  43 -13.425  -0.592  -5.507
  332    HG   SER  43           HG       SER  43 -14.519  -0.112  -3.662
  333    H    ASP  44           H        ASP  44 -16.096  -2.768  -5.398
  334    HA   ASP  44           HA       ASP  44 -16.744  -3.590  -7.920
  335   1HB   ASP  44          2HB       ASP  44 -18.382  -3.170  -6.112
  336   2HB   ASP  44          1HB       ASP  44 -18.189  -1.437  -6.358
  337    H    LYS  45           H        LYS  45 -15.646  -0.419  -6.928
  338    HA   LYS  45           HA       LYS  45 -16.276   0.952  -9.329
  339   1HB   LYS  45          2HB       LYS  45 -15.880   2.244  -7.358
  340   2HB   LYS  45          1HB       LYS  45 -14.302   1.509  -7.114
  341   1HG   LYS  45          2HG       LYS  45 -13.830   3.634  -7.939
  342   2HG   LYS  45          1HG       LYS  45 -13.657   2.583  -9.346
  343   1HD   LYS  45          2HD       LYS  45 -15.375   3.549 -10.419
  344   2HD   LYS  45          1HD       LYS  45 -16.368   3.612  -8.962
  345   1HE   LYS  45          2HE       LYS  45 -15.779   5.729  -8.511
  346   2HE   LYS  45          1HE       LYS  45 -14.090   5.448  -8.931
  347   1HZ   LYS  45          1HZ       LYS  45 -14.747   5.579 -11.290
  348   2HZ   LYS  45          2HZ       LYS  45 -15.033   7.020 -10.453
  349   3HZ   LYS  45          3HZ       LYS  45 -16.320   5.985 -10.817
  350    H    ALA  46           H        ALA  46 -13.027   0.145  -8.105
  351    HA   ALA  46           HA       ALA  46 -12.275  -0.913 -10.709
  352   1HB   ALA  46          1HB       ALA  46 -10.132   0.765 -10.106
  353   2HB   ALA  46          2HB       ALA  46 -11.573   1.749  -9.849
  354   3HB   ALA  46          3HB       ALA  46 -11.309   0.964 -11.406
  355    H    SER  47           H        SER  47 -10.375  -2.178 -10.675
  356    HA   SER  47           HA       SER  47  -9.646  -3.106  -7.990
  357   1HB   SER  47          2HB       SER  47  -8.463  -4.780  -9.922
  358   2HB   SER  47          1HB       SER  47  -9.880  -5.128  -8.932
  359    HG   SER  47           HG       SER  47  -9.809  -4.890 -11.525
  360    H    VAL  48           H        VAL  48  -7.811  -2.392  -7.135
  361    HA   VAL  48           HA       VAL  48  -5.670  -1.504  -8.952
  362    HB   VAL  48           HB       VAL  48  -6.014  -0.692  -6.068
  363   1HG1  VAL  48          1HG1      VAL  48  -4.628   1.155  -7.789
  364   2HG1  VAL  48          2HG1      VAL  48  -3.874  -0.440  -7.840
  365   3HG1  VAL  48          3HG1      VAL  48  -4.086   0.387  -6.297
  366   1HG2  VAL  48          1HG2      VAL  48  -6.560   1.483  -7.761
  367   2HG2  VAL  48          2HG2      VAL  48  -7.677   0.645  -6.684
  368   3HG2  VAL  48          3HG2      VAL  48  -7.519   0.131  -8.364
  369    H    THR  49           H        THR  49  -3.673  -2.318  -8.798
  370    HA   THR  49           HA       THR  49  -3.109  -4.236  -6.631
  371    HB   THR  49           HB       THR  49  -1.864  -5.622  -8.158
  372    HG1  THR  49           1HG      THR  49  -1.085  -4.763  -9.921
  373   1HG2  THR  49          1HG2      THR  49  -4.522  -4.874  -9.385
  374   2HG2  THR  49          2HG2      THR  49  -4.276  -6.026  -8.072
  375   3HG2  THR  49          3HG2      THR  49  -3.637  -6.371  -9.680
  376    H    ILE  50           H        ILE  50  -1.336  -3.760  -5.466
  377    HA   ILE  50           HA       ILE  50   0.396  -1.615  -6.454
  378    HB   ILE  50           HB       ILE  50   0.321  -2.757  -3.668
  379   1HG1  ILE  50          2HG1      ILE  50  -1.881  -1.906  -4.145
  380   2HG1  ILE  50          1HG1      ILE  50  -1.048  -0.730  -3.133
  381   1HG2  ILE  50          1HG2      ILE  50   2.185  -1.524  -3.521
  382   2HG2  ILE  50          2HG2      ILE  50   1.093  -0.139  -3.511
  383   3HG2  ILE  50          3HG2      ILE  50   1.843  -0.659  -5.020
  384   1HD1  ILE  50          1HD1      ILE  50  -2.064   0.591  -4.723
  385   2HD1  ILE  50          2HD1      ILE  50  -1.769  -0.565  -6.022
  386   3HD1  ILE  50          3HD1      ILE  50  -0.439   0.398  -5.379
  387    H    THR  51           H        THR  51   2.044  -2.350  -7.600
  388    HA   THR  51           HA       THR  51   3.431  -4.795  -6.829
  389    HB   THR  51           HB       THR  51   4.562  -4.694  -8.911
  390    HG1  THR  51           1HG      THR  51   3.608  -2.014  -9.147
  391   1HG2  THR  51          1HG2      THR  51   2.362  -5.415  -9.326
  392   2HG2  THR  51          2HG2      THR  51   2.669  -4.191 -10.558
  393   3HG2  THR  51          3HG2      THR  51   1.702  -3.791  -9.137
  394    H    SER  52           H        SER  52   5.639  -4.845  -6.283
  395    HA   SER  52           HA       SER  52   6.523  -2.629  -4.745
  396   1HB   SER  52          2HB       SER  52   7.926  -5.169  -5.591
  397   2HB   SER  52          1HB       SER  52   8.629  -3.982  -4.492
  398    HG   SER  52           HG       SER  52   6.126  -5.239  -4.057
  399    H    ARG  53           H        ARG  53   7.960  -4.158  -7.628
  400    HA   ARG  53           HA       ARG  53   9.209  -3.343  -9.329
  401   1HB   ARG  53          2HB       ARG  53   8.667  -1.309 -10.237
  402   2HB   ARG  53          1HB       ARG  53   7.277  -1.563  -9.200
  403   1HG   ARG  53          2HG       ARG  53   9.206  -0.178  -7.660
  404   2HG   ARG  53          1HG       ARG  53   9.128   0.603  -9.237
  405   1HD   ARG  53          2HD       ARG  53   6.973   1.274  -8.951
  406   2HD   ARG  53          1HD       ARG  53   6.561  -0.110  -7.939
  407    HE   ARG  53           HE       ARG  53   8.350   1.479  -6.513
  408   1HH1  ARG  53          1HH1      ARG  53   5.123   1.678  -7.805
  409   2HH1  ARG  53          2HH1      ARG  53   4.560   2.767  -6.581
  410   1HH2  ARG  53          1HH2      ARG  53   7.622   2.916  -4.897
  411   2HH2  ARG  53          2HH2      ARG  53   5.981   3.471  -4.927
  412    H    TYR  54           H        TYR  54  10.007  -3.176  -6.279
  413    HA   TYR  54           HA       TYR  54  12.735  -2.710  -6.671
  414   1HB   TYR  54          2HB       TYR  54  11.137  -0.352  -6.122
  415   2HB   TYR  54          1HB       TYR  54  12.285  -0.641  -4.821
  416    HD1  TYR  54           1HD      TYR  54  11.879   1.250  -7.588
  417    HD2  TYR  54           2HD      TYR  54  14.695  -1.506  -5.984
  418    HE1  TYR  54           1HE      TYR  54  13.655   2.292  -8.932
  419    HE2  TYR  54           2HE      TYR  54  16.480  -0.472  -7.325
  420    HH   TYR  54           HH       TYR  54  16.339   1.024  -9.741
  421    H    ASP  55           H        ASP  55  13.882  -2.708  -4.475
  422    HA   ASP  55           HA       ASP  55  12.298  -4.376  -2.662
  423   1HB   ASP  55          2HB       ASP  55  14.244  -5.533  -3.271
  424   2HB   ASP  55          1HB       ASP  55  15.262  -4.105  -3.119
  425    H    GLY  56           H        GLY  56  11.531  -3.530  -0.857
  426   1HA   GLY  56          2HA       GLY  56  13.020  -1.328   0.400
  427   2HA   GLY  56          1HA       GLY  56  11.317  -1.108   0.031
  428    H    VAL  57           H        VAL  57  12.247  -0.797   2.590
  429    HA   VAL  57           HA       VAL  57  11.565  -3.282   3.990
  430    HB   VAL  57           HB       VAL  57  12.579  -0.733   5.236
  431   1HG1  VAL  57          1HG1      VAL  57  11.700  -2.097   6.915
  432   2HG1  VAL  57          2HG1      VAL  57  13.424  -2.467   6.928
  433   3HG1  VAL  57          3HG1      VAL  57  12.290  -3.574   6.154
  434   1HG2  VAL  57          1HG2      VAL  57  14.242  -1.339   3.646
  435   2HG2  VAL  57          2HG2      VAL  57  14.126  -3.044   4.079
  436   3HG2  VAL  57          3HG2      VAL  57  14.812  -1.889   5.222
  437    H    ILE  58           H        ILE  58   9.576  -3.581   4.724
  438    HA   ILE  58           HA       ILE  58   7.801  -1.270   5.102
  439    HB   ILE  58           HB       ILE  58   6.978  -4.168   5.187
  440   1HG1  ILE  58          2HG1      ILE  58   6.882  -2.402   2.746
  441   2HG1  ILE  58          1HG1      ILE  58   8.207  -3.519   3.053
  442   1HG2  ILE  58          1HG2      ILE  58   5.197  -2.940   5.973
  443   2HG2  ILE  58          2HG2      ILE  58   4.847  -2.980   4.244
  444   3HG2  ILE  58          3HG2      ILE  58   5.577  -1.543   4.965
  445   1HD1  ILE  58          1HD1      ILE  58   5.759  -4.926   3.340
  446   2HD1  ILE  58          2HD1      ILE  58   7.043  -5.162   2.155
  447   3HD1  ILE  58          3HD1      ILE  58   5.728  -4.036   1.818
  448    H    LYS  59           H        LYS  59   7.362  -0.567   7.099
  449    HA   LYS  59           HA       LYS  59   8.279  -2.208   9.340
  450   1HB   LYS  59          2HB       LYS  59   8.755   0.381   8.792
  451   2HB   LYS  59          1HB       LYS  59   7.355   0.548   9.841
  452   1HG   LYS  59          2HG       LYS  59   8.475  -0.641  11.610
  453   2HG   LYS  59          1HG       LYS  59   9.848  -0.979  10.554
  454   1HD   LYS  59          2HD       LYS  59   9.782   1.691  10.341
  455   2HD   LYS  59          1HD       LYS  59   9.093   1.516  11.956
  456   1HE   LYS  59          2HE       LYS  59  11.076  -0.015  12.446
  457   2HE   LYS  59          1HE       LYS  59  11.783   0.620  10.961
  458   1HZ   LYS  59          1HZ       LYS  59  12.633   2.017  12.558
  459   2HZ   LYS  59          2HZ       LYS  59  11.222   2.016  13.490
  460   3HZ   LYS  59          3HZ       LYS  59  11.279   2.894  12.046
  461    H    LYS  60           H        LYS  60   5.320  -0.412   8.393
  462    HA   LYS  60           HA       LYS  60   3.889  -2.181  10.234
  463   1HB   LYS  60          2HB       LYS  60   2.852  -0.519  11.460
  464   2HB   LYS  60          1HB       LYS  60   4.475   0.114  11.265
  465   1HG   LYS  60          2HG       LYS  60   2.054   0.919   9.663
  466   2HG   LYS  60          1HG       LYS  60   2.803   1.850  10.960
  467   1HD   LYS  60          2HD       LYS  60   4.111   1.096   8.347
  468   2HD   LYS  60          1HD       LYS  60   3.459   2.682   8.754
  469   1HE   LYS  60          2HE       LYS  60   5.642   1.329  10.324
  470   2HE   LYS  60          1HE       LYS  60   5.949   2.445   8.997
  471   1HZ   LYS  60          1HZ       LYS  60   5.146   2.992  11.704
  472   2HZ   LYS  60          2HZ       LYS  60   4.216   3.816  10.557
  473   3HZ   LYS  60          3HZ       LYS  60   5.897   4.002  10.573
  474    H    LEU  61           H        LEU  61   1.904  -2.791   9.665
  475    HA   LEU  61           HA       LEU  61   0.731  -1.647   7.223
  476   1HB   LEU  61          2HB       LEU  61   1.162  -4.497   8.020
  477   2HB   LEU  61          1HB       LEU  61  -0.244  -4.092   7.055
  478    HG   LEU  61           HG       LEU  61   2.656  -3.767   6.298
  479   1HD1  LEU  61          1HD1      LEU  61   2.090  -5.265   4.497
  480   2HD1  LEU  61          2HD1      LEU  61   0.400  -5.285   5.001
  481   3HD1  LEU  61          3HD1      LEU  61   1.638  -5.999   6.035
  482   1HD2  LEU  61          1HD2      LEU  61   1.737  -2.874   4.144
  483   2HD2  LEU  61          2HD2      LEU  61   1.600  -1.786   5.523
  484   3HD2  LEU  61          3HD2      LEU  61   0.188  -2.680   4.964
  485    H    TYR  62           H        TYR  62  -0.777  -0.380   8.182
  486    HA   TYR  62           HA       TYR  62  -2.284  -1.104  10.456
  487   1HB   TYR  62          2HB       TYR  62  -1.806   1.227   9.280
  488   2HB   TYR  62          1HB       TYR  62  -3.360   0.889   8.522
  489    HD1  TYR  62           1HD      TYR  62  -4.860   2.364   9.531
  490    HD2  TYR  62           2HD      TYR  62  -2.187   0.137  11.979
  491    HE1  TYR  62           1HE      TYR  62  -6.019   3.188  11.538
  492    HE2  TYR  62           2HE      TYR  62  -3.339   0.952  13.991
  493    HH   TYR  62           HH       TYR  62  -5.334   3.535  14.049
  494    H    TYR  63           H        TYR  63  -3.032  -1.232   6.986
  495    HA   TYR  63           HA       TYR  63  -5.581  -2.529   7.646
  496   1HB   TYR  63          2HB       TYR  63  -4.644  -1.365   5.017
  497   2HB   TYR  63          1HB       TYR  63  -6.243  -2.027   5.338
  498    HD1  TYR  63           1HD      TYR  63  -5.616   0.777   4.332
  499    HD2  TYR  63           2HD      TYR  63  -6.229  -0.759   8.253
  500    HE1  TYR  63           1HE      TYR  63  -6.376   2.994   5.077
  501    HE2  TYR  63           2HE      TYR  63  -6.992   1.452   9.007
  502    HH   TYR  63           HH       TYR  63  -6.421   4.076   7.894
  503    H    ASN  64           H        ASN  64  -6.024  -4.578   7.134
  504    HA   ASN  64           HA       ASN  64  -3.966  -6.126   5.714
  505   1HB   ASN  64          2HB       ASN  64  -5.897  -7.005   7.868
  506   2HB   ASN  64          1HB       ASN  64  -4.795  -8.082   7.011
  507   1HD2  ASN  64          1HD2      ASN  64  -3.092  -8.575   8.168
  508   2HD2  ASN  64          2HD2      ASN  64  -2.266  -7.540   9.277
  509    H    LEU  65           H        LEU  65  -5.184  -8.410   5.213
  510    HA   LEU  65           HA       LEU  65  -6.594  -8.081   2.894
  511   1HB   LEU  65          2HB       LEU  65  -6.511 -10.347   4.864
  512   2HB   LEU  65          1HB       LEU  65  -7.305 -10.472   3.314
  513    HG   LEU  65           HG       LEU  65  -4.807  -9.544   2.631
  514   1HD1  LEU  65          1HD1      LEU  65  -3.521 -11.526   3.903
  515   2HD1  LEU  65          2HD1      LEU  65  -4.658 -11.045   5.162
  516   3HD1  LEU  65          3HD1      LEU  65  -3.550  -9.858   4.474
  517   1HD2  LEU  65          1HD2      LEU  65  -5.979 -12.312   2.720
  518   2HD2  LEU  65          2HD2      LEU  65  -4.419 -11.962   1.974
  519   3HD2  LEU  65          3HD2      LEU  65  -5.884 -11.205   1.350
  520    H    ASP  66           H        ASP  66  -7.809  -8.042   6.161
  521    HA   ASP  66           HA       ASP  66 -10.569  -8.240   5.213
  522   1HB   ASP  66          2HB       ASP  66  -9.546  -9.487   7.274
  523   2HB   ASP  66          1HB       ASP  66  -9.833  -7.959   8.100
  524    H    ASP  67           H        ASP  67  -8.325  -5.891   6.481
  525    HA   ASP  67           HA       ASP  67 -10.371  -4.010   7.212
  526   1HB   ASP  67          2HB       ASP  67  -7.458  -3.373   6.799
  527   2HB   ASP  67          1HB       ASP  67  -8.622  -2.528   7.812
  528    H    ILE  68           H        ILE  68 -10.762  -1.991   6.289
  529    HA   ILE  68           HA       ILE  68 -10.468  -1.931   3.367
  530    HB   ILE  68           HB       ILE  68 -12.176   0.067   4.723
  531   1HG1  ILE  68          2HG1      ILE  68 -12.700  -1.987   6.003
  532   2HG1  ILE  68          1HG1      ILE  68 -14.056  -1.462   5.008
  533   1HG2  ILE  68          1HG2      ILE  68 -13.552  -0.230   2.794
  534   2HG2  ILE  68          2HG2      ILE  68 -12.699  -1.705   2.350
  535   3HG2  ILE  68          3HG2      ILE  68 -11.873  -0.147   2.257
  536   1HD1  ILE  68          1HD1      ILE  68 -12.955  -3.994   5.110
  537   2HD1  ILE  68          2HD1      ILE  68 -12.356  -3.313   3.598
  538   3HD1  ILE  68          3HD1      ILE  68 -14.090  -3.383   3.905
  539    H    ALA  69           H        ALA  69  -9.535  -0.297   2.311
  540    HA   ALA  69           HA       ALA  69  -8.008   1.591   3.936
  541   1HB   ALA  69          1HB       ALA  69  -7.669   0.506   1.164
  542   2HB   ALA  69          2HB       ALA  69  -6.536   0.484   2.516
  543   3HB   ALA  69          3HB       ALA  69  -6.858   1.992   1.659
  544    H    TYR  70           H        TYR  70  -7.946   3.788   3.407
  545    HA   TYR  70           HA       TYR  70 -10.129   4.792   1.715
  546   1HB   TYR  70          2HB       TYR  70  -9.534   6.507   4.012
  547   2HB   TYR  70          1HB       TYR  70 -11.087   5.997   3.368
  548    HD1  TYR  70           1HD      TYR  70  -9.202   5.983   6.217
  549    HD2  TYR  70           2HD      TYR  70 -11.437   3.288   3.801
  550    HE1  TYR  70           1HE      TYR  70  -9.493   4.499   8.155
  551    HE2  TYR  70           2HE      TYR  70 -11.736   1.795   5.733
  552    HH   TYR  70           HH       TYR  70  -9.980   1.740   8.301
  553    H    VAL  71           H        VAL  71  -9.753   6.802   0.716
  554    HA   VAL  71           HA       VAL  71  -6.952   7.376   0.271
  555    HB   VAL  71           HB       VAL  71  -9.476   8.423  -1.013
  556   1HG1  VAL  71          1HG1      VAL  71  -7.724   9.407  -2.690
  557   2HG1  VAL  71          2HG1      VAL  71  -6.670   9.416  -1.277
  558   3HG1  VAL  71          3HG1      VAL  71  -8.184  10.320  -1.253
  559   1HG2  VAL  71          1HG2      VAL  71  -7.543   6.320  -1.560
  560   2HG2  VAL  71          2HG2      VAL  71  -7.837   7.372  -2.943
  561   3HG2  VAL  71          3HG2      VAL  71  -9.182   6.540  -2.167
  562    H    GLY  72           H        GLY  72  -5.872   9.233   0.759
  563   1HA   GLY  72          2HA       GLY  72  -6.098  11.640   1.361
  564   2HA   GLY  72          1HA       GLY  72  -7.290  11.115   2.538
  565    H    LYS  73           H        LYS  73  -5.234   8.693   2.813
  566    HA   LYS  73           HA       LYS  73  -3.071   9.995   4.191
  567   1HB   LYS  73          2HB       LYS  73  -3.543   9.242   6.399
  568   2HB   LYS  73          1HB       LYS  73  -4.981  10.069   5.816
  569   1HG   LYS  73          2HG       LYS  73  -5.848   7.759   5.178
  570   2HG   LYS  73          1HG       LYS  73  -4.537   7.125   6.174
  571   1HD   LYS  73          2HD       LYS  73  -6.780   8.938   7.056
  572   2HD   LYS  73          1HD       LYS  73  -6.541   7.248   7.501
  573   1HE   LYS  73          2HE       LYS  73  -4.162   8.643   8.138
  574   2HE   LYS  73          1HE       LYS  73  -5.514   9.592   8.755
  575   1HZ   LYS  73          1HZ       LYS  73  -4.791   6.799   9.407
  576   2HZ   LYS  73          2HZ       LYS  73  -6.328   7.421   9.739
  577   3HZ   LYS  73          3HZ       LYS  73  -4.963   8.112  10.459
  578    HA   PRO  74           HA       PRO  74  -1.107   6.251   2.794
  579   1HB   PRO  74          2HB       PRO  74   0.875   6.829   4.916
  580   2HB   PRO  74          1HB       PRO  74   1.114   6.632   3.178
  581   1HG   PRO  74          2HG       PRO  74   1.262   9.039   4.336
  582   2HG   PRO  74          1HG       PRO  74   0.573   8.829   2.716
  583   1HD   PRO  74          2HD       PRO  74  -0.816   9.246   5.330
  584   2HD   PRO  74          1HD       PRO  74  -1.212   9.888   3.723
  585    H    LEU  75           H        LEU  75  -1.228   4.150   3.397
  586    HA   LEU  75           HA       LEU  75  -2.123   3.623   6.133
  587   1HB   LEU  75          2HB       LEU  75  -2.860   1.422   5.217
  588   2HB   LEU  75          1HB       LEU  75  -3.662   2.816   4.526
  589    HG   LEU  75           HG       LEU  75  -1.514   2.334   2.811
  590   1HD1  LEU  75          1HD1      LEU  75  -1.738   0.030   4.213
  591   2HD1  LEU  75          2HD1      LEU  75  -1.172   0.130   2.544
  592   3HD1  LEU  75          3HD1      LEU  75  -2.856  -0.275   2.883
  593   1HD2  LEU  75          1HD2      LEU  75  -4.290   2.642   2.684
  594   2HD2  LEU  75          2HD2      LEU  75  -3.961   1.091   1.910
  595   3HD2  LEU  75          3HD2      LEU  75  -3.164   2.552   1.329
  596    H    VAL  76           H        VAL  76   0.565   3.083   4.028
  597    HA   VAL  76           HA       VAL  76   1.853   1.540   6.174
  598    HB   VAL  76           HB       VAL  76   1.121  -0.140   4.575
  599   1HG1  VAL  76          1HG1      VAL  76   1.414   1.758   2.677
  600   2HG1  VAL  76          2HG1      VAL  76   1.281   0.032   2.334
  601   3HG1  VAL  76          3HG1      VAL  76   2.868   0.799   2.402
  602   1HG2  VAL  76          1HG2      VAL  76   3.476  -0.138   5.678
  603   2HG2  VAL  76          2HG2      VAL  76   4.051   0.148   4.037
  604   3HG2  VAL  76          3HG2      VAL  76   3.118  -1.303   4.404
  605    H    ASP  77           H        ASP  77   4.169   1.613   6.162
  606    HA   ASP  77           HA       ASP  77   5.283   3.796   4.530
  607   1HB   ASP  77          2HB       ASP  77   6.475   3.061   7.167
  608   2HB   ASP  77          1HB       ASP  77   6.527   4.599   6.320
  609    H    ILE  78           H        ILE  78   6.830   3.146   3.183
  610    HA   ILE  78           HA       ILE  78   8.479   0.825   3.925
  611    HB   ILE  78           HB       ILE  78   7.766   1.152   1.056
  612   1HG1  ILE  78          2HG1      ILE  78   5.835  -0.540   1.599
  613   2HG1  ILE  78          1HG1      ILE  78   5.884   0.211   3.193
  614   1HG2  ILE  78          1HG2      ILE  78   8.407  -1.154   2.874
  615   2HG2  ILE  78          2HG2      ILE  78   9.378  -0.502   1.554
  616   3HG2  ILE  78          3HG2      ILE  78   7.877  -1.361   1.205
  617   1HD1  ILE  78          1HD1      ILE  78   5.812   2.096   0.951
  618   2HD1  ILE  78          2HD1      ILE  78   4.918   2.091   2.474
  619   3HD1  ILE  78          3HD1      ILE  78   4.377   1.083   1.131
  620    H    GLU  79           H        GLU  79  10.613   0.861   3.172
  621    HA   GLU  79           HA       GLU  79  11.468   3.488   2.182
  622   1HB   GLU  79          2HB       GLU  79  12.505   1.718   4.133
  623   2HB   GLU  79          1HB       GLU  79  13.665   1.750   2.811
  624   1HG   GLU  79          2HG       GLU  79  12.609   4.351   3.739
  625   2HG   GLU  79          1HG       GLU  79  13.712   3.493   4.816
  626    H    THR  80           H        THR  80  11.755   3.671   0.080
  627    HA   THR  80           HA       THR  80  13.051   1.501  -1.399
  628    HB   THR  80           HB       THR  80  11.399   2.141  -3.328
  629    HG1  THR  80           1HG      THR  80   9.252   2.477  -2.193
  630   1HG2  THR  80          1HG2      THR  80  11.623  -0.001  -1.718
  631   2HG2  THR  80          2HG2      THR  80  10.384   0.143  -2.965
  632   3HG2  THR  80          3HG2      THR  80   9.996   0.523  -1.287
  633    H    GLU  81           H        GLU  81  13.978   2.191  -3.446
  634    HA   GLU  81           HA       GLU  81  15.432   4.555  -3.258
  635   1HB   GLU  81          2HB       GLU  81  14.731   3.061  -5.792
  636   2HB   GLU  81          1HB       GLU  81  16.078   4.170  -5.577
  637   1HG   GLU  81          2HG       GLU  81  16.660   2.463  -3.627
  638   2HG   GLU  81          1HG       GLU  81  15.755   1.371  -4.674
  639    H    ALA  82           H        ALA  82  15.116   6.605  -3.877
  640    HA   ALA  82           HA       ALA  82  12.744   7.844  -4.019
  641   1HB   ALA  82          1HB       ALA  82  13.818   9.743  -4.835
  642   2HB   ALA  82          2HB       ALA  82  14.957   8.801  -5.798
  643   3HB   ALA  82          3HB       ALA  82  15.104   8.834  -4.041
  644    H    LEU  83           H        LEU  83  11.013   7.419  -5.195
  645    HA   LEU  83           HA       LEU  83  11.332   7.094  -8.107
  646   1HB   LEU  83          2HB       LEU  83  10.178   5.291  -6.228
  647   2HB   LEU  83          1HB       LEU  83   8.883   5.923  -7.226
  648    HG   LEU  83           HG       LEU  83  10.397   5.281  -9.225
  649   1HD1  LEU  83          1HD1      LEU  83  11.560   3.469  -7.118
  650   2HD1  LEU  83          2HD1      LEU  83  12.396   4.853  -7.822
  651   3HD1  LEU  83          3HD1      LEU  83  11.944   3.485  -8.839
  652   1HD2  LEU  83          1HD2      LEU  83   8.925   3.633  -9.473
  653   2HD2  LEU  83          2HD2      LEU  83   8.366   3.982  -7.838
  654   3HD2  LEU  83          3HD2      LEU  83   9.592   2.743  -8.105
  655    H    LYS  84           H        LYS  84  10.295   8.563  -9.290
  656    HA   LYS  84           HA       LYS  84   9.092  10.818  -8.365
  657   1HB   LYS  84          2HB       LYS  84   9.653   9.875 -10.830
  658   2HB   LYS  84          1HB       LYS  84   7.899   9.750 -10.854
  659   1HG   LYS  84          2HG       LYS  84   9.217  12.289  -9.990
  660   2HG   LYS  84          1HG       LYS  84   9.030  11.910 -11.704
  661   1HD   LYS  84          2HD       LYS  84   6.583  11.448 -10.217
  662   2HD   LYS  84          1HD       LYS  84   7.148  13.112 -10.054
  663   1HE   LYS  84          2HE       LYS  84   5.646  12.897 -11.955
  664   2HE   LYS  84          1HE       LYS  84   7.276  13.305 -12.492
  665   1HZ   LYS  84          1HZ       LYS  84   7.584  10.853 -12.874
  666   2HZ   LYS  84          2HZ       LYS  84   6.503  11.624 -13.922
  667   3HZ   LYS  84          3HZ       LYS  84   5.915  10.678 -12.649
  668    H    ASP  85           H        ASP  85   7.582   7.691  -8.826
  669    HA   ASP  85           HA       ASP  85   4.907   8.313  -8.805
  670   1HB   ASP  85          2HB       ASP  85   6.048   6.010  -8.928
  671   2HB   ASP  85          1HB       ASP  85   5.997   6.032  -7.168
  672    H    LEU  86           H        LEU  86   7.061   7.984  -6.007
  673    HA   LEU  86           HA       LEU  86   4.966   9.232  -4.356
  674   1HB   LEU  86          2HB       LEU  86   6.270   6.824  -3.955
  675   2HB   LEU  86          1HB       LEU  86   7.117   7.928  -2.889
  676    HG   LEU  86           HG       LEU  86   5.319   6.793  -1.706
  677   1HD1  LEU  86          1HD1      LEU  86   4.454   9.638  -2.118
  678   2HD1  LEU  86          2HD1      LEU  86   5.940   9.220  -1.265
  679   3HD1  LEU  86          3HD1      LEU  86   4.383   8.667  -0.648
  680   1HD2  LEU  86          1HD2      LEU  86   3.675   6.217  -3.198
  681   2HD2  LEU  86          2HD2      LEU  86   3.704   7.785  -4.005
  682   3HD2  LEU  86          3HD2      LEU  86   2.937   7.621  -2.426
  683    H    GLU  87           H        GLU  87   7.341  10.323  -6.035
  684    HA   GLU  87           HA       GLU  87   8.617  12.207  -5.909
  685   1HB   GLU  87          2HB       GLU  87   7.934  12.501  -2.996
  686   2HB   GLU  87          1HB       GLU  87   8.335  13.755  -4.162
  687   1HG   GLU  87          2HG       GLU  87   6.089  12.695  -5.263
  688   2HG   GLU  87          1HG       GLU  87   5.765  12.507  -3.540
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1  16.041   7.922   1.766
    2   2H    MET   1          2HT       MET   1  17.090   8.028   0.443
    3   3H    MET   1          3HT       MET   1  16.764   9.402   1.375
    4    HA   MET   1           HA       MET   1  18.286   6.995   2.182
    5   1HB   MET   1          2HB       MET   1  18.913   9.799   1.418
    6   2HB   MET   1          1HB       MET   1  19.874   9.092   2.710
    7   1HG   MET   1          2HG       MET   1  20.682   7.380   1.303
    8   2HG   MET   1          1HG       MET   1  19.497   7.750   0.052
    9   1HE   MET   1          1HE       MET   1  22.906  10.536   1.282
   10   2HE   MET   1          2HE       MET   1  21.828   9.613   2.330
   11   3HE   MET   1          3HE       MET   1  21.260  11.100   1.571
   12    H    GLY   2           H        GLY   2  17.418   6.388   4.100
   13   1HA   GLY   2          2HA       GLY   2  17.296   6.517   6.423
   14   2HA   GLY   2          1HA       GLY   2  17.717   8.220   6.324
   15    H    GLN   3           H        GLN   3  15.161   7.229   4.273
   16    HA   GLN   3           HA       GLN   3  13.117   7.936   6.241
   17   1HB   GLN   3          2HB       GLN   3  13.015   9.207   3.526
   18   2HB   GLN   3          1HB       GLN   3  12.196   9.690   5.004
   19   1HG   GLN   3          2HG       GLN   3  14.431  10.315   5.937
   20   2HG   GLN   3          1HG       GLN   3  15.107  10.024   4.335
   21   1HE2  GLN   3          1HE2      GLN   3  15.438  12.457   5.397
   22   2HE2  GLN   3          2HE2      GLN   3  14.429  13.620   4.613
   23    H    VAL   4           H        VAL   4  10.995   7.227   5.684
   24    HA   VAL   4           HA       VAL   4  10.993   5.151   3.595
   25    HB   VAL   4           HB       VAL   4   9.310   3.943   4.851
   26   1HG1  VAL   4          1HG1      VAL   4  10.813   3.976   7.153
   27   2HG1  VAL   4          2HG1      VAL   4  11.942   4.552   5.927
   28   3HG1  VAL   4          3HG1      VAL   4  11.131   2.999   5.720
   29   1HG2  VAL   4          1HG2      VAL   4   8.975   4.861   7.301
   30   2HG2  VAL   4          2HG2      VAL   4   7.949   5.393   5.968
   31   3HG2  VAL   4          3HG2      VAL   4   9.286   6.408   6.512
   32    H    VAL   5           H        VAL   5   9.272   4.925   2.244
   33    HA   VAL   5           HA       VAL   5   7.504   7.252   2.006
   34    HB   VAL   5           HB       VAL   5   7.029   6.418  -0.260
   35   1HG1  VAL   5          1HG1      VAL   5   8.949   7.227  -1.212
   36   2HG1  VAL   5          2HG1      VAL   5  10.000   6.361  -0.092
   37   3HG1  VAL   5          3HG1      VAL   5   9.144   7.808   0.442
   38   1HG2  VAL   5          1HG2      VAL   5   7.262   4.031   0.152
   39   2HG2  VAL   5          2HG2      VAL   5   8.994   4.232   0.420
   40   3HG2  VAL   5          3HG2      VAL   5   8.309   4.532  -1.177
   41    H    GLN   6           H        GLN   6   5.394   7.059   2.507
   42    HA   GLN   6           HA       GLN   6   4.428   4.380   3.183
   43   1HB   GLN   6          2HB       GLN   6   3.492   7.116   4.032
   44   2HB   GLN   6          1HB       GLN   6   2.669   5.624   4.463
   45   1HG   GLN   6          2HG       GLN   6   3.998   5.409   6.205
   46   2HG   GLN   6          1HG       GLN   6   5.384   5.281   5.124
   47   1HE2  GLN   6          1HE2      GLN   6   6.093   7.507   4.258
   48   2HE2  GLN   6          2HE2      GLN   6   6.235   8.754   5.444
   49    H    PHE   7           H        PHE   7   2.504   3.563   2.479
   50    HA   PHE   7           HA       PHE   7   1.372   4.859   0.104
   51   1HB   PHE   7          2HB       PHE   7   2.104   2.712  -0.507
   52   2HB   PHE   7          1HB       PHE   7   1.580   1.996   1.011
   53    HD1  PHE   7           1HD      PHE   7   0.157   3.696  -1.989
   54    HD2  PHE   7           2HD      PHE   7  -0.323   0.726   1.018
   55    HE1  PHE   7           1HE      PHE   7  -1.932   2.960  -3.056
   56    HE2  PHE   7           2HE      PHE   7  -2.410  -0.018  -0.043
   57    HZ   PHE   7           HZ       PHE   7  -3.220   1.098  -2.085
   58    H    LYS   8           H        LYS   8  -0.795   5.306  -0.029
   59    HA   LYS   8           HA       LYS   8  -2.412   4.770   2.374
   60   1HB   LYS   8          2HB       LYS   8  -3.358   6.951   2.281
   61   2HB   LYS   8          1HB       LYS   8  -1.615   7.152   2.172
   62   1HG   LYS   8          2HG       LYS   8  -1.896   7.297  -0.323
   63   2HG   LYS   8          1HG       LYS   8  -3.636   7.375  -0.039
   64   1HD   LYS   8          2HD       LYS   8  -2.650   9.608  -0.298
   65   2HD   LYS   8          1HD       LYS   8  -3.344   9.381   1.308
   66   1HE   LYS   8          2HE       LYS   8  -1.201   9.081   2.285
   67   2HE   LYS   8          1HE       LYS   8  -0.427   8.952   0.707
   68   1HZ   LYS   8          1HZ       LYS   8  -1.708  11.391   0.713
   69   2HZ   LYS   8          2HZ       LYS   8  -0.044  11.117   0.843
   70   3HZ   LYS   8          3HZ       LYS   8  -0.987  11.273   2.239
   71    H    LEU   9           H        LEU   9  -4.573   4.317   2.089
   72    HA   LEU   9           HA       LEU   9  -5.382   2.900  -0.140
   73   1HB   LEU   9          2HB       LEU   9  -6.456   2.837   2.080
   74   2HB   LEU   9          1HB       LEU   9  -7.106   4.439   1.810
   75    HG   LEU   9           HG       LEU   9  -8.781   2.655   1.517
   76   1HD1  LEU   9          1HD1      LEU   9  -9.866   3.784  -0.094
   77   2HD1  LEU   9          2HD1      LEU   9  -8.513   3.691  -1.221
   78   3HD1  LEU   9          3HD1      LEU   9  -8.502   4.889   0.069
   79   1HD2  LEU   9          1HD2      LEU   9  -8.348   0.797   0.433
   80   2HD2  LEU   9          2HD2      LEU   9  -6.729   1.397   0.050
   81   3HD2  LEU   9          3HD2      LEU   9  -8.071   1.708  -1.056
   82    H    SER  10           H        SER  10  -5.609   3.585  -2.175
   83    HA   SER  10           HA       SER  10  -7.070   6.067  -2.679
   84   1HB   SER  10          2HB       SER  10  -4.455   6.322  -2.732
   85   2HB   SER  10          1HB       SER  10  -4.611   5.544  -4.308
   86    HG   SER  10           HG       SER  10  -5.223   8.089  -3.558
   87    H    ASP  11           H        ASP  11  -8.661   5.650  -4.047
   88    HA   ASP  11           HA       ASP  11  -8.451   4.583  -6.560
   89   1HB   ASP  11          2HB       ASP  11  -9.521   2.306  -6.225
   90   2HB   ASP  11          1HB       ASP  11  -7.829   2.443  -5.765
   91    H    ILE  12           H        ILE  12 -10.439   5.021  -3.717
   92    HA   ILE  12           HA       ILE  12 -12.835   5.123  -5.394
   93    HB   ILE  12           HB       ILE  12 -13.812   5.630  -2.932
   94   1HG1  ILE  12          2HG1      ILE  12 -11.476   5.298  -1.987
   95   2HG1  ILE  12          1HG1      ILE  12 -12.768   4.364  -1.240
   96   1HG2  ILE  12          1HG2      ILE  12 -14.579   3.957  -4.558
   97   2HG2  ILE  12          2HG2      ILE  12 -14.584   3.360  -2.899
   98   3HG2  ILE  12          3HG2      ILE  12 -13.302   2.872  -4.009
   99   1HD1  ILE  12          1HD1      ILE  12 -11.844   2.419  -1.818
  100   2HD1  ILE  12          2HD1      ILE  12 -10.377   3.365  -2.070
  101   3HD1  ILE  12          3HD1      ILE  12 -11.428   2.983  -3.435
  102    H    GLY  13           H        GLY  13 -12.621   7.042  -2.454
  103   1HA   GLY  13          2HA       GLY  13 -12.147   9.494  -3.927
  104   2HA   GLY  13          1HA       GLY  13 -13.773   9.303  -3.287
  105    H    GLU  14           H        GLU  14 -12.404  11.435  -2.426
  106    HA   GLU  14           HA       GLU  14 -11.033  10.788   0.048
  107   1HB   GLU  14          2HB       GLU  14 -11.284  13.121  -1.696
  108   2HB   GLU  14          1HB       GLU  14 -11.358  13.530   0.012
  109   1HG   GLU  14          2HG       GLU  14  -9.244  11.775  -0.121
  110   2HG   GLU  14          1HG       GLU  14  -9.102  12.702  -1.614
  111    H    GLY  15           H        GLY  15 -13.446   9.761   0.381
  112   1HA   GLY  15          2HA       GLY  15 -14.459  10.617   2.704
  113   2HA   GLY  15          1HA       GLY  15 -15.235  11.717   1.577
  114    H    ILE  16           H        ILE  16 -15.200   9.410  -0.446
  115    HA   ILE  16           HA       ILE  16 -17.838   8.512   0.130
  116    HB   ILE  16           HB       ILE  16 -17.826   7.418  -1.940
  117   1HG1  ILE  16          2HG1      ILE  16 -15.175   7.512  -2.921
  118   2HG1  ILE  16          1HG1      ILE  16 -15.075   6.822  -1.300
  119   1HG2  ILE  16          1HG2      ILE  16 -16.838  10.043  -1.711
  120   2HG2  ILE  16          2HG2      ILE  16 -17.737   9.327  -3.049
  121   3HG2  ILE  16          3HG2      ILE  16 -15.974   9.282  -3.047
  122   1HD1  ILE  16          1HD1      ILE  16 -16.061   5.655  -3.758
  123   2HD1  ILE  16          2HD1      ILE  16 -17.226   5.519  -2.442
  124   3HD1  ILE  16          3HD1      ILE  16 -15.591   4.885  -2.241
  125    H    ARG  17           H        ARG  17 -17.917   5.900  -0.672
  126    HA   ARG  17           HA       ARG  17 -17.500   4.475   1.679
  127   1HB   ARG  17          2HB       ARG  17 -18.974   3.848  -0.307
  128   2HB   ARG  17          1HB       ARG  17 -17.517   3.230  -1.071
  129   1HG   ARG  17          2HG       ARG  17 -17.706   1.320   0.026
  130   2HG   ARG  17          1HG       ARG  17 -17.711   2.168   1.573
  131   1HD   ARG  17          2HD       ARG  17 -20.031   2.311   1.629
  132   2HD   ARG  17          1HD       ARG  17 -20.185   2.056  -0.108
  133    HE   ARG  17           HE       ARG  17 -20.052   0.046   1.927
  134   1HH1  ARG  17          1HH1      ARG  17 -19.382   0.741  -1.419
  135   2HH1  ARG  17          2HH1      ARG  17 -19.487  -0.914  -1.918
  136   1HH2  ARG  17          1HH2      ARG  17 -20.194  -2.135   1.282
  137   2HH2  ARG  17          2HH2      ARG  17 -19.947  -2.551  -0.381
  138    H    GLU  18           H        GLU  18 -15.968   2.824   2.201
  139    HA   GLU  18           HA       GLU  18 -13.310   3.430   1.141
  140   1HB   GLU  18          2HB       GLU  18 -14.183   1.970   3.637
  141   2HB   GLU  18          1HB       GLU  18 -12.510   2.244   3.174
  142   1HG   GLU  18          2HG       GLU  18 -12.588   4.166   4.268
  143   2HG   GLU  18          1HG       GLU  18 -13.720   4.753   3.044
  144    H    VAL  19           H        VAL  19 -11.765   1.394   1.199
  145    HA   VAL  19           HA       VAL  19 -13.258  -0.861   0.012
  146    HB   VAL  19           HB       VAL  19 -12.231   0.521  -1.763
  147   1HG1  VAL  19          1HG1      VAL  19  -9.799   0.479  -2.047
  148   2HG1  VAL  19          2HG1      VAL  19  -9.637  -0.351  -0.500
  149   3HG1  VAL  19          3HG1      VAL  19 -10.267   1.295  -0.556
  150   1HG2  VAL  19          1HG2      VAL  19 -10.984  -2.212  -1.510
  151   2HG2  VAL  19          2HG2      VAL  19 -11.297  -1.323  -3.000
  152   3HG2  VAL  19          3HG2      VAL  19 -12.644  -1.909  -2.023
  153    H    THR  20           H        THR  20 -12.251  -2.905   0.025
  154    HA   THR  20           HA       THR  20 -10.507  -3.292   2.347
  155    HB   THR  20           HB       THR  20 -11.574  -5.652   0.926
  156    HG1  THR  20           1HG      THR  20 -13.605  -5.112   1.058
  157   1HG2  THR  20          1HG2      THR  20 -10.352  -5.806   3.052
  158   2HG2  THR  20          2HG2      THR  20 -11.997  -6.424   3.195
  159   3HG2  THR  20          3HG2      THR  20 -11.597  -4.830   3.832
  160    H    VAL  21           H        VAL  21  -8.791  -4.883   2.219
  161    HA   VAL  21           HA       VAL  21  -7.258  -4.583  -0.213
  162    HB   VAL  21           HB       VAL  21  -6.592  -6.220   2.238
  163   1HG1  VAL  21          1HG1      VAL  21  -5.031  -6.982   0.795
  164   2HG1  VAL  21          2HG1      VAL  21  -4.227  -5.468   1.206
  165   3HG1  VAL  21          3HG1      VAL  21  -5.180  -5.586  -0.272
  166   1HG2  VAL  21          1HG2      VAL  21  -5.976  -4.368   3.323
  167   2HG2  VAL  21          2HG2      VAL  21  -6.898  -3.477   2.111
  168   3HG2  VAL  21          3HG2      VAL  21  -5.163  -3.714   1.901
  169    H    LYS  22           H        LYS  22  -7.092  -6.020  -1.832
  170    HA   LYS  22           HA       LYS  22  -8.616  -8.497  -1.602
  171   1HB   LYS  22          2HB       LYS  22  -9.111  -7.134  -3.533
  172   2HB   LYS  22          1HB       LYS  22  -7.414  -7.090  -3.989
  173   1HG   LYS  22          2HG       LYS  22  -7.623  -8.958  -5.157
  174   2HG   LYS  22          1HG       LYS  22  -8.298  -9.809  -3.767
  175   1HD   LYS  22          2HD       LYS  22 -10.501  -9.183  -4.323
  176   2HD   LYS  22          1HD       LYS  22  -9.947  -7.956  -5.464
  177   1HE   LYS  22          2HE       LYS  22  -9.013  -9.761  -6.881
  178   2HE   LYS  22          1HE       LYS  22  -9.697 -10.946  -5.769
  179   1HZ   LYS  22          1HZ       LYS  22 -11.514 -10.847  -7.018
  180   2HZ   LYS  22          2HZ       LYS  22 -10.970  -9.487  -7.864
  181   3HZ   LYS  22          3HZ       LYS  22 -11.787  -9.297  -6.396
  182    H    GLU  23           H        GLU  23  -5.332  -7.380  -2.245
  183    HA   GLU  23           HA       GLU  23  -4.409 -10.130  -1.800
  184   1HB   GLU  23          2HB       GLU  23  -4.267  -8.718  -4.268
  185   2HB   GLU  23          1HB       GLU  23  -2.632  -8.881  -3.642
  186   1HG   GLU  23          2HG       GLU  23  -2.661 -11.172  -3.772
  187   2HG   GLU  23          1HG       GLU  23  -4.419 -11.262  -3.671
  188    H    TRP  24           H        TRP  24  -2.801 -10.303  -0.403
  189    HA   TRP  24           HA       TRP  24  -1.212  -7.911   0.257
  190   1HB   TRP  24          2HB       TRP  24  -2.806  -9.685   1.993
  191   2HB   TRP  24          1HB       TRP  24  -1.183  -9.352   2.584
  192    HD1  TRP  24           HD       TRP  24  -4.471  -8.097   3.069
  193    HE1  TRP  24           1HE      TRP  24  -4.498  -5.617   3.754
  194    HE3  TRP  24           3HE      TRP  24   0.288  -6.843   1.714
  195    HZ2  TRP  24           2HZ      TRP  24  -2.728  -3.417   3.725
  196    HZ3  TRP  24           3HZ      TRP  24   1.046  -4.531   2.074
  197    HH2  TRP  24           HH       TRP  24  -0.432  -2.854   3.058
  198    H    TYR  25           H        TYR  25   0.913  -8.223  -0.113
  199    HA   TYR  25           HA       TYR  25   1.954 -10.964   0.161
  200   1HB   TYR  25          2HB       TYR  25   2.026  -9.180  -2.200
  201   2HB   TYR  25          1HB       TYR  25   3.504 -10.070  -1.847
  202    HD1  TYR  25           1HD      TYR  25  -0.176 -10.658  -2.137
  203    HD2  TYR  25           2HD      TYR  25   3.749 -12.178  -2.758
  204    HE1  TYR  25           1HE      TYR  25  -1.126 -12.654  -3.216
  205    HE2  TYR  25           2HE      TYR  25   2.810 -14.176  -3.840
  206    HH   TYR  25           HH       TYR  25  -0.013 -14.438  -5.092
  207    H    VAL  26           H        VAL  26   2.164  -8.822   2.066
  208    HA   VAL  26           HA       VAL  26   5.025  -8.865   2.413
  209    HB   VAL  26           HB       VAL  26   5.383  -6.483   2.578
  210   1HG1  VAL  26          1HG1      VAL  26   3.998  -7.117  -0.013
  211   2HG1  VAL  26          2HG1      VAL  26   5.659  -7.548   0.384
  212   3HG1  VAL  26          3HG1      VAL  26   5.191  -5.853   0.257
  213   1HG2  VAL  26          1HG2      VAL  26   2.986  -5.478   1.367
  214   2HG2  VAL  26          2HG2      VAL  26   3.732  -5.025   2.900
  215   3HG2  VAL  26          3HG2      VAL  26   2.583  -6.362   2.839
  216    H    LYS  27           H        LYS  27   5.682  -8.127   4.557
  217    HA   LYS  27           HA       LYS  27   3.458  -7.844   6.454
  218   1HB   LYS  27          2HB       LYS  27   5.519  -9.980   6.362
  219   2HB   LYS  27          1HB       LYS  27   5.066  -9.361   7.944
  220   1HG   LYS  27          2HG       LYS  27   2.676  -9.819   6.512
  221   2HG   LYS  27          1HG       LYS  27   3.702 -11.238   6.297
  222   1HD   LYS  27          2HD       LYS  27   3.228 -11.920   8.359
  223   2HD   LYS  27          1HD       LYS  27   3.843 -10.406   9.023
  224   1HE   LYS  27          2HE       LYS  27   1.767  -9.912   9.641
  225   2HE   LYS  27          1HE       LYS  27   1.348  -9.780   7.933
  226   1HZ   LYS  27          1HZ       LYS  27   1.076 -12.157   9.682
  227   2HZ   LYS  27          2HZ       LYS  27   0.935 -12.234   7.998
  228   3HZ   LYS  27          3HZ       LYS  27  -0.154 -11.302   8.896
  229    H    GLU  28           H        GLU  28   4.225  -7.236   8.662
  230    HA   GLU  28           HA       GLU  28   5.708  -4.863   8.589
  231   1HB   GLU  28          2HB       GLU  28   5.503  -6.461  11.118
  232   2HB   GLU  28          1HB       GLU  28   5.376  -4.724  10.892
  233   1HG   GLU  28          2HG       GLU  28   3.210  -5.379   9.564
  234   2HG   GLU  28          1HG       GLU  28   3.321  -6.841  10.543
  235    H    GLY  29           H        GLY  29   7.845  -4.389   8.872
  236   1HA   GLY  29          2HA       GLY  29  10.096  -4.714   9.276
  237   2HA   GLY  29          1HA       GLY  29   9.678  -6.213  10.093
  238    H    ASP  30           H        ASP  30   8.288  -6.291   7.073
  239    HA   ASP  30           HA       ASP  30  10.415  -8.042   6.102
  240   1HB   ASP  30          2HB       ASP  30   7.583  -7.680   5.102
  241   2HB   ASP  30          1HB       ASP  30   8.731  -8.880   4.521
  242    H    THR  31           H        THR  31  11.142  -7.959   3.923
  243    HA   THR  31           HA       THR  31  11.166  -5.227   2.866
  244    HB   THR  31           HB       THR  31  12.916  -7.340   1.707
  245    HG1  THR  31           1HG      THR  31  13.587  -6.037   4.145
  246   1HG2  THR  31          1HG2      THR  31  13.041  -5.131   0.778
  247   2HG2  THR  31          2HG2      THR  31  14.513  -5.415   1.708
  248   3HG2  THR  31          3HG2      THR  31  13.225  -4.415   2.379
  249    H    VAL  32           H        VAL  32  10.865  -4.844   0.632
  250    HA   VAL  32           HA       VAL  32   9.141  -6.830  -0.665
  251    HB   VAL  32           HB       VAL  32   8.812  -4.441  -2.055
  252   1HG1  VAL  32          1HG1      VAL  32   6.677  -4.968  -1.738
  253   2HG1  VAL  32          2HG1      VAL  32   6.831  -4.858   0.016
  254   3HG1  VAL  32          3HG1      VAL  32   7.270  -6.350  -0.815
  255   1HG2  VAL  32          1HG2      VAL  32   8.899  -3.878   0.905
  256   2HG2  VAL  32          2HG2      VAL  32   8.132  -2.832  -0.289
  257   3HG2  VAL  32          3HG2      VAL  32   9.871  -3.115  -0.354
  258    H    SER  33           H        SER  33   9.248  -7.046  -2.972
  259    HA   SER  33           HA       SER  33  11.730  -6.126  -4.226
  260   1HB   SER  33          2HB       SER  33  10.789  -9.005  -4.242
  261   2HB   SER  33          1HB       SER  33  12.174  -8.371  -5.132
  262    HG   SER  33           HG       SER  33  12.856  -7.649  -2.896
  263    H    GLN  34           H        GLN  34  11.710  -6.428  -6.599
  264    HA   GLN  34           HA       GLN  34   9.515  -5.291  -7.809
  265   1HB   GLN  34          2HB       GLN  34  11.644  -5.310  -8.917
  266   2HB   GLN  34          1HB       GLN  34  11.652  -7.067  -8.988
  267   1HG   GLN  34          2HG       GLN  34  10.403  -7.123 -10.839
  268   2HG   GLN  34          1HG       GLN  34   9.338  -5.835 -10.279
  269   1HE2  GLN  34          1HE2      GLN  34  12.292  -6.591 -11.956
  270   2HE2  GLN  34          2HE2      GLN  34  12.511  -5.039 -12.685
  271    H    PHE  35           H        PHE  35   9.999  -8.604  -6.943
  272    HA   PHE  35           HA       PHE  35   7.761  -9.480  -8.609
  273   1HB   PHE  35          2HB       PHE  35  10.115 -10.753  -7.491
  274   2HB   PHE  35          1HB       PHE  35   8.655 -11.664  -7.116
  275    HD1  PHE  35           1HD      PHE  35   9.968  -9.797 -10.075
  276    HD2  PHE  35           2HD      PHE  35   8.250 -13.387  -8.565
  277    HE1  PHE  35           1HE      PHE  35   9.995 -10.757 -12.339
  278    HE2  PHE  35           2HE      PHE  35   8.275 -14.354 -10.828
  279    HZ   PHE  35           HZ       PHE  35   9.149 -13.039 -12.718
  280    H    ASP  36           H        ASP  36   8.415  -8.521  -5.389
  281    HA   ASP  36           HA       ASP  36   5.975  -9.853  -4.432
  282   1HB   ASP  36          2HB       ASP  36   8.463  -9.785  -3.288
  283   2HB   ASP  36          1HB       ASP  36   7.639  -8.481  -2.439
  284    H    SER  37           H        SER  37   4.326  -8.511  -4.966
  285    HA   SER  37           HA       SER  37   4.444  -5.675  -4.821
  286   1HB   SER  37          2HB       SER  37   1.805  -7.023  -4.586
  287   2HB   SER  37          1HB       SER  37   2.309  -5.712  -5.652
  288    HG   SER  37           HG       SER  37   1.940  -7.671  -6.788
  289    H    ILE  38           H        ILE  38   3.136  -4.320  -3.341
  290    HA   ILE  38           HA       ILE  38   3.427  -5.310  -0.617
  291    HB   ILE  38           HB       ILE  38   2.759  -2.535  -1.602
  292   1HG1  ILE  38          2HG1      ILE  38   5.299  -3.861  -0.660
  293   2HG1  ILE  38          1HG1      ILE  38   5.002  -3.067  -2.201
  294   1HG2  ILE  38          1HG2      ILE  38   2.238  -1.981   0.490
  295   2HG2  ILE  38          2HG2      ILE  38   3.780  -2.612   1.069
  296   3HG2  ILE  38          3HG2      ILE  38   2.379  -3.675   0.955
  297   1HD1  ILE  38          1HD1      ILE  38   6.092  -1.986   0.179
  298   2HD1  ILE  38          2HD1      ILE  38   4.566  -1.163  -0.155
  299   3HD1  ILE  38          3HD1      ILE  38   5.837  -1.198  -1.378
  300    H    CYS  39           H        CYS  39   0.924  -3.068  -1.739
  301    HA   CYS  39           HA       CYS  39  -1.086  -4.898  -0.603
  302   1HB   CYS  39          2HB       CYS  39  -0.628  -2.808   0.736
  303   2HB   CYS  39          1HB       CYS  39  -1.264  -1.885  -0.620
  304    HG   CYS  39           HG       CYS  39  -3.832  -2.871  -0.453
  305    H    GLU  40           H        GLU  40  -3.060  -5.083  -1.628
  306    HA   GLU  40           HA       GLU  40  -3.457  -3.620  -4.130
  307   1HB   GLU  40          2HB       GLU  40  -3.621  -6.632  -3.909
  308   2HB   GLU  40          1HB       GLU  40  -4.040  -5.685  -5.329
  309   1HG   GLU  40          2HG       GLU  40  -1.957  -6.064  -5.999
  310   2HG   GLU  40          1HG       GLU  40  -1.483  -4.861  -4.801
  311    H    VAL  41           H        VAL  41  -5.466  -2.860  -4.243
  312    HA   VAL  41           HA       VAL  41  -7.596  -4.287  -2.790
  313    HB   VAL  41           HB       VAL  41  -8.634  -2.179  -2.182
  314   1HG1  VAL  41          1HG1      VAL  41  -6.246  -3.183  -1.116
  315   2HG1  VAL  41          2HG1      VAL  41  -7.442  -2.169  -0.308
  316   3HG1  VAL  41          3HG1      VAL  41  -6.068  -1.428  -1.129
  317   1HG2  VAL  41          1HG2      VAL  41  -7.751  -0.052  -2.674
  318   2HG2  VAL  41          2HG2      VAL  41  -7.691  -0.947  -4.192
  319   3HG2  VAL  41          3HG2      VAL  41  -6.223  -0.728  -3.241
  320    H    GLN  42           H        GLN  42  -9.751  -3.982  -3.662
  321    HA   GLN  42           HA       GLN  42  -9.760  -3.075  -6.462
  322   1HB   GLN  42          2HB       GLN  42 -10.836  -5.660  -5.351
  323   2HB   GLN  42          1HB       GLN  42 -11.365  -5.009  -6.897
  324   1HG   GLN  42          2HG       GLN  42  -8.907  -4.969  -7.542
  325   2HG   GLN  42          1HG       GLN  42  -8.633  -5.967  -6.115
  326   1HE2  GLN  42          1HE2      GLN  42  -7.854  -7.111  -8.303
  327   2HE2  GLN  42          2HE2      GLN  42  -8.965  -8.306  -8.872
  328    H    SER  43           H        SER  43 -11.485  -1.921  -7.103
  329    HA   SER  43           HA       SER  43 -13.642  -1.525  -5.138
  330   1HB   SER  43          2HB       SER  43 -12.041   0.427  -5.805
  331   2HB   SER  43          1HB       SER  43 -12.998   0.474  -7.285
  332    HG   SER  43           HG       SER  43 -14.147   0.563  -4.698
  333    H    ASP  44           H        ASP  44 -15.778  -1.342  -5.892
  334    HA   ASP  44           HA       ASP  44 -16.598  -3.134  -7.807
  335   1HB   ASP  44          2HB       ASP  44 -17.913  -0.729  -6.590
  336   2HB   ASP  44          1HB       ASP  44 -18.735  -1.635  -7.856
  337    H    LYS  45           H        LYS  45 -15.626   0.199  -8.237
  338    HA   LYS  45           HA       LYS  45 -16.569   0.282 -10.974
  339   1HB   LYS  45          2HB       LYS  45 -15.727   2.551 -11.012
  340   2HB   LYS  45          1HB       LYS  45 -16.659   2.291  -9.544
  341   1HG   LYS  45          2HG       LYS  45 -14.596   2.020  -8.273
  342   2HG   LYS  45          1HG       LYS  45 -13.654   2.265  -9.746
  343   1HD   LYS  45          2HD       LYS  45 -15.271   4.457  -9.758
  344   2HD   LYS  45          1HD       LYS  45 -15.019   4.215  -8.029
  345   1HE   LYS  45          2HE       LYS  45 -12.578   4.153  -8.438
  346   2HE   LYS  45          1HE       LYS  45 -12.883   4.508 -10.138
  347   1HZ   LYS  45          1HZ       LYS  45 -13.841   6.609  -9.529
  348   2HZ   LYS  45          2HZ       LYS  45 -12.305   6.488  -8.830
  349   3HZ   LYS  45          3HZ       LYS  45 -13.686   6.261  -7.879
  350    H    ALA  46           H        ALA  46 -13.423   0.263  -9.308
  351    HA   ALA  46           HA       ALA  46 -12.237  -0.962 -11.669
  352   1HB   ALA  46          1HB       ALA  46 -10.820   1.400 -10.503
  353   2HB   ALA  46          2HB       ALA  46 -12.050   1.617 -11.747
  354   3HB   ALA  46          3HB       ALA  46 -10.619   0.643 -12.083
  355    H    SER  47           H        SER  47 -10.094  -1.829 -11.275
  356    HA   SER  47           HA       SER  47  -9.680  -2.480  -8.433
  357   1HB   SER  47          2HB       SER  47  -8.390  -4.481  -9.449
  358   2HB   SER  47          1HB       SER  47 -10.152  -4.515  -9.516
  359    HG   SER  47           HG       SER  47  -8.675  -3.421 -11.645
  360    H    VAL  48           H        VAL  48  -7.697  -2.158  -7.518
  361    HA   VAL  48           HA       VAL  48  -5.569  -1.135  -9.278
  362    HB   VAL  48           HB       VAL  48  -4.904   0.359  -7.340
  363   1HG1  VAL  48          1HG1      VAL  48  -6.440   2.119  -7.975
  364   2HG1  VAL  48          2HG1      VAL  48  -7.563   0.933  -8.640
  365   3HG1  VAL  48          3HG1      VAL  48  -5.989   1.177  -9.397
  366   1HG2  VAL  48          1HG2      VAL  48  -7.732  -0.176  -6.445
  367   2HG2  VAL  48          2HG2      VAL  48  -6.575   0.929  -5.703
  368   3HG2  VAL  48          3HG2      VAL  48  -6.291  -0.811  -5.652
  369    H    THR  49           H        THR  49  -3.513  -1.749  -8.839
  370    HA   THR  49           HA       THR  49  -3.033  -3.434  -6.478
  371    HB   THR  49           HB       THR  49  -1.762  -5.029  -7.754
  372    HG1  THR  49           1HG      THR  49  -1.646  -4.792 -10.070
  373   1HG2  THR  49          1HG2      THR  49  -3.600  -6.161  -8.309
  374   2HG2  THR  49          2HG2      THR  49  -3.931  -5.070  -9.654
  375   3HG2  THR  49          3HG2      THR  49  -4.522  -4.682  -8.038
  376    H    ILE  50           H        ILE  50  -1.187  -2.944  -5.412
  377    HA   ILE  50           HA       ILE  50   0.514  -0.878  -6.601
  378    HB   ILE  50           HB       ILE  50   0.421  -1.845  -3.742
  379   1HG1  ILE  50          2HG1      ILE  50  -1.669  -0.738  -4.475
  380   2HG1  ILE  50          1HG1      ILE  50  -0.802   0.208  -3.268
  381   1HG2  ILE  50          1HG2      ILE  50   2.124   0.067  -5.200
  382   2HG2  ILE  50          2HG2      ILE  50   2.455  -0.869  -3.742
  383   3HG2  ILE  50          3HG2      ILE  50   1.510   0.617  -3.641
  384   1HD1  ILE  50          1HD1      ILE  50  -1.793   1.166  -5.613
  385   2HD1  ILE  50          2HD1      ILE  50  -0.101   0.881  -6.019
  386   3HD1  ILE  50          3HD1      ILE  50  -0.518   1.925  -4.661
  387    H    THR  51           H        THR  51   2.110  -1.706  -7.761
  388    HA   THR  51           HA       THR  51   3.390  -4.194  -7.080
  389    HB   THR  51           HB       THR  51   4.767  -3.841  -9.045
  390    HG1  THR  51           1HG      THR  51   3.503  -1.313  -9.371
  391   1HG2  THR  51          1HG2      THR  51   1.833  -3.483  -9.184
  392   2HG2  THR  51          2HG2      THR  51   2.856  -4.737  -9.884
  393   3HG2  THR  51          3HG2      THR  51   2.737  -3.160 -10.664
  394    H    SER  52           H        SER  52   5.971  -4.012  -7.383
  395    HA   SER  52           HA       SER  52   6.795  -2.263  -5.191
  396   1HB   SER  52          2HB       SER  52   8.546  -4.379  -6.398
  397   2HB   SER  52          1HB       SER  52   8.521  -3.765  -4.745
  398    HG   SER  52           HG       SER  52   7.568  -5.821  -4.855
  399    H    ARG  53           H        ARG  53   8.209  -3.383  -8.271
  400    HA   ARG  53           HA       ARG  53   9.498  -2.372  -9.827
  401   1HB   ARG  53          2HB       ARG  53   8.990  -0.225 -10.483
  402   2HB   ARG  53          1HB       ARG  53   7.553  -0.659  -9.578
  403   1HG   ARG  53          2HG       ARG  53   9.411   0.570  -7.791
  404   2HG   ARG  53          1HG       ARG  53   9.245   1.571  -9.232
  405   1HD   ARG  53          2HD       ARG  53   6.893   0.483  -7.701
  406   2HD   ARG  53          1HD       ARG  53   7.619   2.052  -7.364
  407    HE   ARG  53           HE       ARG  53   7.071   2.049 -10.061
  408   1HH1  ARG  53          1HH1      ARG  53   5.255   1.683  -7.110
  409   2HH1  ARG  53          2HH1      ARG  53   3.796   2.340  -7.773
  410   1HH2  ARG  53          1HH2      ARG  53   5.152   2.916 -10.943
  411   2HH2  ARG  53          2HH2      ARG  53   3.738   3.042  -9.951
  412    H    TYR  54           H        TYR  54  10.261  -2.486  -6.738
  413    HA   TYR  54           HA       TYR  54  12.985  -2.041  -7.065
  414   1HB   TYR  54          2HB       TYR  54  11.481   0.345  -6.450
  415   2HB   TYR  54          1HB       TYR  54  12.546  -0.052  -5.105
  416    HD1  TYR  54           1HD      TYR  54  15.022  -0.399  -5.610
  417    HD2  TYR  54           2HD      TYR  54  12.323   1.373  -8.379
  418    HE1  TYR  54           1HE      TYR  54  16.922   0.580  -6.826
  419    HE2  TYR  54           2HE      TYR  54  14.215   2.359  -9.603
  420    HH   TYR  54           HH       TYR  54  17.446   2.296  -8.354
  421    H    ASP  55           H        ASP  55  14.096  -2.111  -4.811
  422    HA   ASP  55           HA       ASP  55  12.482  -3.916  -3.165
  423   1HB   ASP  55          2HB       ASP  55  14.490  -4.844  -2.313
  424   2HB   ASP  55          1HB       ASP  55  14.724  -4.681  -4.050
  425    H    GLY  56           H        GLY  56  11.666  -3.235  -1.301
  426   1HA   GLY  56          2HA       GLY  56  13.069  -1.066   0.107
  427   2HA   GLY  56          1HA       GLY  56  11.345  -0.925  -0.208
  428    H    VAL  57           H        VAL  57  12.335  -0.770   2.361
  429    HA   VAL  57           HA       VAL  57  11.752  -3.401   3.534
  430    HB   VAL  57           HB       VAL  57  12.927  -0.991   4.920
  431   1HG1  VAL  57          1HG1      VAL  57  12.715  -3.892   5.714
  432   2HG1  VAL  57          2HG1      VAL  57  11.874  -2.528   6.451
  433   3HG1  VAL  57          3HG1      VAL  57  13.626  -2.668   6.599
  434   1HG2  VAL  57          1HG2      VAL  57  15.051  -1.702   4.442
  435   2HG2  VAL  57          2HG2      VAL  57  14.226  -2.172   2.956
  436   3HG2  VAL  57          3HG2      VAL  57  14.556  -3.377   4.200
  437    H    ILE  58           H        ILE  58   9.826  -3.755   4.377
  438    HA   ILE  58           HA       ILE  58   8.099  -1.483   5.067
  439    HB   ILE  58           HB       ILE  58   7.265  -4.379   4.922
  440   1HG1  ILE  58          2HG1      ILE  58   7.108  -2.336   2.701
  441   2HG1  ILE  58          1HG1      ILE  58   8.331  -3.600   2.787
  442   1HG2  ILE  58          1HG2      ILE  58   5.115  -2.956   4.181
  443   2HG2  ILE  58          2HG2      ILE  58   5.901  -1.775   5.231
  444   3HG2  ILE  58          3HG2      ILE  58   5.467  -3.364   5.861
  445   1HD1  ILE  58          1HD1      ILE  58   5.909  -3.772   1.521
  446   2HD1  ILE  58          2HD1      ILE  58   5.631  -4.628   3.037
  447   3HD1  ILE  58          3HD1      ILE  58   6.944  -5.127   1.970
  448    H    LYS  59           H        LYS  59   7.707  -0.986   7.122
  449    HA   LYS  59           HA       LYS  59   8.828  -2.740   9.173
  450   1HB   LYS  59          2HB       LYS  59   9.594  -0.437   9.135
  451   2HB   LYS  59          1HB       LYS  59   7.943   0.138   9.318
  452   1HG   LYS  59          2HG       LYS  59   7.802  -0.772  11.525
  453   2HG   LYS  59          1HG       LYS  59   9.366  -1.570  11.344
  454   1HD   LYS  59          2HD       LYS  59  10.543   0.398  11.551
  455   2HD   LYS  59          1HD       LYS  59   9.196   1.385  10.982
  456   1HE   LYS  59          2HE       LYS  59   9.235   1.888  13.233
  457   2HE   LYS  59          1HE       LYS  59   8.039   0.595  13.171
  458   1HZ   LYS  59          1HZ       LYS  59   9.884  -0.961  13.742
  459   2HZ   LYS  59          2HZ       LYS  59   9.498   0.142  14.965
  460   3HZ   LYS  59          3HZ       LYS  59  10.875   0.384  14.013
  461    H    LYS  60           H        LYS  60   5.698  -1.224   8.375
  462    HA   LYS  60           HA       LYS  60   4.470  -3.148  10.172
  463   1HB   LYS  60          2HB       LYS  60   3.447  -1.673  11.639
  464   2HB   LYS  60          1HB       LYS  60   5.049  -0.983  11.441
  465   1HG   LYS  60          2HG       LYS  60   2.555  -0.050  10.033
  466   2HG   LYS  60          1HG       LYS  60   3.307   0.726  11.427
  467   1HD   LYS  60          2HD       LYS  60   4.603   0.333   8.730
  468   2HD   LYS  60          1HD       LYS  60   3.894   1.839   9.315
  469   1HE   LYS  60          2HE       LYS  60   6.223   0.372  10.551
  470   2HE   LYS  60          1HE       LYS  60   6.320   1.843   9.583
  471   1HZ   LYS  60          1HZ       LYS  60   5.384   1.484  12.333
  472   2HZ   LYS  60          2HZ       LYS  60   4.654   2.693  11.402
  473   3HZ   LYS  60          3HZ       LYS  60   6.324   2.723  11.666
  474    H    LEU  61           H        LEU  61   2.383  -3.640   9.785
  475    HA   LEU  61           HA       LEU  61   0.962  -2.252   7.635
  476   1HB   LEU  61          2HB       LEU  61   1.476  -5.217   7.842
  477   2HB   LEU  61          1HB       LEU  61   0.218  -4.538   6.828
  478    HG   LEU  61           HG       LEU  61   2.729  -3.247   6.249
  479   1HD1  LEU  61          1HD1      LEU  61   2.932  -6.038   6.877
  480   2HD1  LEU  61          2HD1      LEU  61   4.190  -4.905   6.388
  481   3HD1  LEU  61          3HD1      LEU  61   3.258  -5.770   5.165
  482   1HD2  LEU  61          1HD2      LEU  61   2.187  -3.880   4.007
  483   2HD2  LEU  61          2HD2      LEU  61   0.700  -3.389   4.819
  484   3HD2  LEU  61          3HD2      LEU  61   1.048  -5.101   4.574
  485    H    TYR  62           H        TYR  62  -1.224  -2.026   8.049
  486    HA   TYR  62           HA       TYR  62  -2.174  -3.293  10.534
  487   1HB   TYR  62          2HB       TYR  62  -1.878  -0.767  10.461
  488   2HB   TYR  62          1HB       TYR  62  -3.255  -0.739   9.364
  489    HD1  TYR  62           1HD      TYR  62  -5.493  -1.409  10.170
  490    HD2  TYR  62           2HD      TYR  62  -2.165  -1.136  12.806
  491    HE1  TYR  62           1HE      TYR  62  -7.026  -1.395  12.092
  492    HE2  TYR  62           2HE      TYR  62  -3.688  -1.122  14.737
  493    HH   TYR  62           HH       TYR  62  -6.993  -1.908  14.476
  494    H    TYR  63           H        TYR  63  -3.302  -2.212   7.322
  495    HA   TYR  63           HA       TYR  63  -5.816  -3.592   7.693
  496   1HB   TYR  63          2HB       TYR  63  -4.707  -2.163   5.272
  497   2HB   TYR  63          1HB       TYR  63  -6.347  -2.788   5.423
  498    HD1  TYR  63           1HD      TYR  63  -7.975  -1.681   6.855
  499    HD2  TYR  63           2HD      TYR  63  -4.017  -0.179   6.476
  500    HE1  TYR  63           1HE      TYR  63  -8.687   0.434   7.886
  501    HE2  TYR  63           2HE      TYR  63  -4.715   1.943   7.504
  502    HH   TYR  63           HH       TYR  63  -6.876   3.237   7.775
  503    H    ASN  64           H        ASN  64  -6.462  -5.473   6.831
  504    HA   ASN  64           HA       ASN  64  -4.476  -7.003   5.293
  505   1HB   ASN  64          2HB       ASN  64  -6.559  -8.036   7.224
  506   2HB   ASN  64          1HB       ASN  64  -5.448  -9.036   6.287
  507   1HD2  ASN  64          1HD2      ASN  64  -4.080  -9.876   7.695
  508   2HD2  ASN  64          2HD2      ASN  64  -3.194  -9.001   8.892
  509    H    LEU  65           H        LEU  65  -5.804  -9.059   4.421
  510    HA   LEU  65           HA       LEU  65  -7.140  -8.264   2.161
  511   1HB   LEU  65          2HB       LEU  65  -6.997 -10.819   3.702
  512   2HB   LEU  65          1HB       LEU  65  -8.019 -10.708   2.289
  513    HG   LEU  65           HG       LEU  65  -5.396  -9.700   1.680
  514   1HD1  LEU  65          1HD1      LEU  65  -5.039 -11.435   3.627
  515   2HD1  LEU  65          2HD1      LEU  65  -3.981 -11.410   2.216
  516   3HD1  LEU  65          3HD1      LEU  65  -5.278 -12.600   2.325
  517   1HD2  LEU  65          1HD2      LEU  65  -6.743 -12.191   0.664
  518   2HD2  LEU  65          2HD2      LEU  65  -5.570 -11.169  -0.168
  519   3HD2  LEU  65          3HD2      LEU  65  -7.200 -10.570   0.141
  520    H    ASP  66           H        ASP  66  -8.413  -8.554   5.366
  521    HA   ASP  66           HA       ASP  66 -11.160  -8.531   4.320
  522   1HB   ASP  66          2HB       ASP  66  -9.912  -9.790   6.588
  523   2HB   ASP  66          1HB       ASP  66 -11.232  -8.755   7.124
  524    H    ASP  67           H        ASP  67  -8.868  -6.619   6.124
  525    HA   ASP  67           HA       ASP  67 -10.810  -4.821   7.202
  526   1HB   ASP  67          2HB       ASP  67  -7.892  -4.192   6.825
  527   2HB   ASP  67          1HB       ASP  67  -8.993  -3.571   8.048
  528    H    ILE  68           H        ILE  68 -11.157  -2.657   6.676
  529    HA   ILE  68           HA       ILE  68 -10.814  -2.036   3.816
  530    HB   ILE  68           HB       ILE  68 -12.615  -0.452   5.595
  531   1HG1  ILE  68          2HG1      ILE  68 -13.121  -2.874   6.022
  532   2HG1  ILE  68          1HG1      ILE  68 -14.456  -1.967   5.318
  533   1HG2  ILE  68          1HG2      ILE  68 -12.038   0.052   3.153
  534   2HG2  ILE  68          2HG2      ILE  68 -13.741   0.074   3.620
  535   3HG2  ILE  68          3HG2      ILE  68 -13.082  -1.318   2.764
  536   1HD1  ILE  68          1HD1      ILE  68 -12.693  -3.299   3.393
  537   2HD1  ILE  68          2HD1      ILE  68 -14.451  -3.180   3.435
  538   3HD1  ILE  68          3HD1      ILE  68 -13.623  -4.370   4.441
  539    H    ALA  69           H        ALA  69  -9.738  -0.273   3.180
  540    HA   ALA  69           HA       ALA  69  -8.498   1.347   5.284
  541   1HB   ALA  69          1HB       ALA  69  -6.766   1.870   3.741
  542   2HB   ALA  69          2HB       ALA  69  -7.684   1.208   2.389
  543   3HB   ALA  69          3HB       ALA  69  -7.047   0.133   3.630
  544    H    TYR  70           H        TYR  70  -8.527   3.599   5.169
  545    HA   TYR  70           HA       TYR  70 -10.769   4.686   3.624
  546   1HB   TYR  70          2HB       TYR  70  -9.355   5.755   6.075
  547   2HB   TYR  70          1HB       TYR  70 -10.677   6.571   5.248
  548    HD1  TYR  70           1HD      TYR  70 -12.717   6.385   6.286
  549    HD2  TYR  70           2HD      TYR  70  -9.996   3.126   6.559
  550    HE1  TYR  70           1HE      TYR  70 -14.344   5.149   7.655
  551    HE2  TYR  70           2HE      TYR  70 -11.616   1.880   7.926
  552    HH   TYR  70           HH       TYR  70 -14.874   2.911   8.314
  553    H    VAL  71           H        VAL  71 -10.567   6.606   2.450
  554    HA   VAL  71           HA       VAL  71  -7.919   7.040   1.353
  555    HB   VAL  71           HB       VAL  71 -10.441   8.499   0.590
  556   1HG1  VAL  71          1HG1      VAL  71  -9.162   8.423  -1.663
  557   2HG1  VAL  71          2HG1      VAL  71  -7.755   8.083  -0.655
  558   3HG1  VAL  71          3HG1      VAL  71  -8.662   9.577  -0.426
  559   1HG2  VAL  71          1HG2      VAL  71 -10.190   5.767   0.479
  560   2HG2  VAL  71          2HG2      VAL  71  -9.657   6.268  -1.124
  561   3HG2  VAL  71          3HG2      VAL  71 -11.252   6.739  -0.538
  562    H    GLY  72           H        GLY  72  -6.588   8.656   1.891
  563   1HA   GLY  72          2HA       GLY  72  -6.419  11.104   2.226
  564   2HA   GLY  72          1HA       GLY  72  -7.738  10.939   3.371
  565    H    LYS  73           H        LYS  73  -5.641   8.318   3.655
  566    HA   LYS  73           HA       LYS  73  -3.738   9.605   5.400
  567   1HB   LYS  73          2HB       LYS  73  -5.818   9.336   6.786
  568   2HB   LYS  73          1HB       LYS  73  -5.644   7.596   6.598
  569   1HG   LYS  73          2HG       LYS  73  -4.728   8.156   8.702
  570   2HG   LYS  73          1HG       LYS  73  -3.366   7.814   7.632
  571   1HD   LYS  73          2HD       LYS  73  -2.584   9.759   8.486
  572   2HD   LYS  73          1HD       LYS  73  -3.606  10.459   7.229
  573   1HE   LYS  73          2HE       LYS  73  -4.718  11.555   8.807
  574   2HE   LYS  73          1HE       LYS  73  -5.281  10.006   9.435
  575   1HZ   LYS  73          1HZ       LYS  73  -2.623  10.998  10.208
  576   2HZ   LYS  73          2HZ       LYS  73  -3.673   9.976  11.054
  577   3HZ   LYS  73          3HZ       LYS  73  -3.996  11.634  10.967
  578    HA   PRO  74           HA       PRO  74  -1.288   6.231   3.842
  579   1HB   PRO  74          2HB       PRO  74   0.296   6.608   6.318
  580   2HB   PRO  74          1HB       PRO  74   0.816   6.662   4.631
  581   1HG   PRO  74          2HG       PRO  74   0.602   8.894   6.080
  582   2HG   PRO  74          1HG       PRO  74   0.166   8.865   4.361
  583   1HD   PRO  74          2HD       PRO  74  -1.606   8.842   6.770
  584   2HD   PRO  74          1HD       PRO  74  -1.823   9.670   5.215
  585    H    LEU  75           H        LEU  75  -0.684   4.056   4.409
  586    HA   LEU  75           HA       LEU  75  -1.987   3.061   6.849
  587   1HB   LEU  75          2HB       LEU  75  -2.934   1.224   5.722
  588   2HB   LEU  75          1HB       LEU  75  -3.324   2.641   4.771
  589    HG   LEU  75           HG       LEU  75  -0.976   1.740   3.621
  590   1HD1  LEU  75          1HD1      LEU  75  -2.300  -0.729   3.309
  591   2HD1  LEU  75          2HD1      LEU  75  -2.143  -0.444   5.042
  592   3HD1  LEU  75          3HD1      LEU  75  -0.712  -0.426   4.012
  593   1HD2  LEU  75          1HD2      LEU  75  -2.581   2.502   2.172
  594   2HD2  LEU  75          2HD2      LEU  75  -3.878   1.598   2.953
  595   3HD2  LEU  75          3HD2      LEU  75  -2.719   0.763   1.916
  596    H    VAL  76           H        VAL  76   0.581   2.599   4.465
  597    HA   VAL  76           HA       VAL  76   1.988   0.961   6.472
  598    HB   VAL  76           HB       VAL  76   1.101  -0.520   4.700
  599   1HG1  VAL  76          1HG1      VAL  76   1.760  -0.356   2.446
  600   2HG1  VAL  76          2HG1      VAL  76   3.000   0.844   2.813
  601   3HG1  VAL  76          3HG1      VAL  76   1.294   1.280   2.914
  602   1HG2  VAL  76          1HG2      VAL  76   4.005  -0.562   4.168
  603   2HG2  VAL  76          2HG2      VAL  76   2.938  -1.841   4.748
  604   3HG2  VAL  76          3HG2      VAL  76   3.522  -0.607   5.861
  605    H    ASP  77           H        ASP  77   4.269   1.080   6.448
  606    HA   ASP  77           HA       ASP  77   5.347   3.363   4.937
  607   1HB   ASP  77          2HB       ASP  77   6.616   2.397   7.466
  608   2HB   ASP  77          1HB       ASP  77   6.660   4.000   6.747
  609    H    ILE  78           H        ILE  78   6.976   2.942   3.589
  610    HA   ILE  78           HA       ILE  78   8.601   0.531   4.000
  611    HB   ILE  78           HB       ILE  78   7.736   1.234   1.225
  612   1HG1  ILE  78          2HG1      ILE  78   6.024  -0.761   1.735
  613   2HG1  ILE  78          1HG1      ILE  78   6.082  -0.039   3.343
  614   1HG2  ILE  78          1HG2      ILE  78   8.783  -1.203   2.620
  615   2HG2  ILE  78          2HG2      ILE  78   9.461  -0.334   1.243
  616   3HG2  ILE  78          3HG2      ILE  78   8.004  -1.306   1.041
  617   1HD1  ILE  78          1HD1      ILE  78   4.480   0.746   1.241
  618   2HD1  ILE  78          2HD1      ILE  78   5.761   1.961   1.284
  619   3HD1  ILE  78          3HD1      ILE  78   4.793   1.646   2.726
  620    H    GLU  79           H        GLU  79  10.738   0.678   3.188
  621    HA   GLU  79           HA       GLU  79  11.519   3.428   2.525
  622   1HB   GLU  79          2HB       GLU  79  12.733   1.275   4.046
  623   2HB   GLU  79          1HB       GLU  79  13.839   1.898   2.830
  624   1HG   GLU  79          2HG       GLU  79  12.589   4.100   4.122
  625   2HG   GLU  79          1HG       GLU  79  13.194   2.992   5.352
  626    H    THR  80           H        THR  80  11.676   3.872   0.456
  627    HA   THR  80           HA       THR  80  13.071   2.021  -1.322
  628    HB   THR  80           HB       THR  80  11.277   2.720  -3.104
  629    HG1  THR  80           1HG      THR  80   9.209   2.964  -2.163
  630   1HG2  THR  80          1HG2      THR  80  10.456   0.599  -2.962
  631   2HG2  THR  80          2HG2      THR  80  10.164   0.711  -1.226
  632   3HG2  THR  80          3HG2      THR  80  11.796   0.423  -1.829
  633    H    GLU  81           H        GLU  81  13.880   3.061  -3.270
  634    HA   GLU  81           HA       GLU  81  15.011   5.573  -2.806
  635   1HB   GLU  81          2HB       GLU  81  14.873   3.680  -5.030
  636   2HB   GLU  81          1HB       GLU  81  14.965   5.354  -5.563
  637   1HG   GLU  81          2HG       GLU  81  16.852   4.648  -3.437
  638   2HG   GLU  81          1HG       GLU  81  17.097   3.792  -4.959
  639    H    ALA  82           H        ALA  82  14.486   7.643  -3.462
  640    HA   ALA  82           HA       ALA  82  11.954   8.562  -3.357
  641   1HB   ALA  82          1HB       ALA  82  12.690  10.586  -4.479
  642   2HB   ALA  82          2HB       ALA  82  14.102   9.741  -5.112
  643   3HB   ALA  82          3HB       ALA  82  13.935  10.001  -3.375
  644    H    LEU  83           H        LEU  83  10.208   7.920  -4.425
  645    HA   LEU  83           HA       LEU  83  10.386   7.608  -7.350
  646   1HB   LEU  83          2HB       LEU  83   8.706   6.149  -5.322
  647   2HB   LEU  83          1HB       LEU  83   8.300   6.155  -7.027
  648    HG   LEU  83           HG       LEU  83  10.665   4.895  -5.673
  649   1HD1  LEU  83          1HD1      LEU  83   9.786   2.916  -6.349
  650   2HD1  LEU  83          2HD1      LEU  83   9.068   3.602  -7.806
  651   3HD1  LEU  83          3HD1      LEU  83   8.291   3.846  -6.241
  652   1HD2  LEU  83          1HD2      LEU  83  10.428   5.841  -8.492
  653   2HD2  LEU  83          2HD2      LEU  83  11.271   4.329  -8.157
  654   3HD2  LEU  83          3HD2      LEU  83  11.830   5.831  -7.421
  655    H    LYS  84           H        LYS  84   9.008   8.744  -8.602
  656    HA   LYS  84           HA       LYS  84   7.672  10.982  -7.523
  657   1HB   LYS  84          2HB       LYS  84   6.807  11.300  -9.824
  658   2HB   LYS  84          1HB       LYS  84   8.545  11.035  -9.776
  659   1HG   LYS  84          2HG       LYS  84   7.067   8.560 -10.087
  660   2HG   LYS  84          1HG       LYS  84   6.728   9.718 -11.375
  661   1HD   LYS  84          2HD       LYS  84   9.539   9.691 -10.818
  662   2HD   LYS  84          1HD       LYS  84   8.975   8.042 -11.098
  663   1HE   LYS  84          2HE       LYS  84   8.000  10.125 -12.960
  664   2HE   LYS  84          1HE       LYS  84   9.706   9.694 -13.074
  665   1HZ   LYS  84          1HZ       LYS  84   8.163   8.385 -14.521
  666   2HZ   LYS  84          2HZ       LYS  84   7.527   7.685 -13.119
  667   3HZ   LYS  84          3HZ       LYS  84   9.154   7.454 -13.514
  668    H    ASP  85           H        ASP  85   6.659   7.731  -8.118
  669    HA   ASP  85           HA       ASP  85   3.955   7.910  -8.503
  670   1HB   ASP  85          2HB       ASP  85   5.268   5.794  -8.389
  671   2HB   ASP  85          1HB       ASP  85   5.301   5.948  -6.635
  672    H    LEU  86           H        LEU  86   5.699   8.224  -5.433
  673    HA   LEU  86           HA       LEU  86   3.189   8.774  -4.042
  674   1HB   LEU  86          2HB       LEU  86   5.534   7.489  -3.291
  675   2HB   LEU  86          1HB       LEU  86   5.610   9.028  -2.454
  676    HG   LEU  86           HG       LEU  86   2.988   7.802  -2.194
  677   1HD1  LEU  86          1HD1      LEU  86   4.545   5.781  -2.400
  678   2HD1  LEU  86          2HD1      LEU  86   3.496   5.872  -0.986
  679   3HD1  LEU  86          3HD1      LEU  86   5.200   6.295  -0.846
  680   1HD2  LEU  86          1HD2      LEU  86   5.070   8.584  -0.157
  681   2HD2  LEU  86          2HD2      LEU  86   3.359   8.284   0.148
  682   3HD2  LEU  86          3HD2      LEU  86   3.850   9.663  -0.835
  683    H    GLU  87           H        GLU  87   5.961  10.400  -5.316
  684    HA   GLU  87           HA       GLU  87   4.814  12.953  -4.473
  685   1HB   GLU  87          2HB       GLU  87   7.591  11.992  -3.860
  686   2HB   GLU  87          1HB       GLU  87   7.261  13.709  -4.043
  687   1HG   GLU  87          2HG       GLU  87   5.611  12.057  -2.184
  688   2HG   GLU  87          1HG       GLU  87   7.207  12.624  -1.694
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  17.853   5.483   3.577
    2   2H    MET   1          2HT       MET   1  17.907   7.017   2.867
    3   3H    MET   1          3HT       MET   1  16.441   6.405   3.448
    4    HA   MET   1           HA       MET   1  17.281   6.436   5.706
    5   1HB   MET   1          2HB       MET   1  19.716   6.380   4.486
    6   2HB   MET   1          1HB       MET   1  19.619   8.072   4.954
    7   1HG   MET   1          2HG       MET   1  18.960   5.999   6.978
    8   2HG   MET   1          1HG       MET   1  20.650   6.261   6.549
    9   1HE   MET   1          1HE       MET   1  19.851   6.494   9.394
   10   2HE   MET   1          2HE       MET   1  18.216   7.134   9.221
   11   3HE   MET   1          3HE       MET   1  19.453   8.085  10.044
   12    H    GLY   2           H        GLY   2  15.520   7.769   5.935
   13   1HA   GLY   2          2HA       GLY   2  14.778   9.886   6.672
   14   2HA   GLY   2          1HA       GLY   2  16.097  10.633   5.783
   15    H    GLN   3           H        GLN   3  14.284   8.238   4.116
   16    HA   GLN   3           HA       GLN   3  12.329  10.050   3.024
   17   1HB   GLN   3          2HB       GLN   3  14.829  10.023   1.809
   18   2HB   GLN   3          1HB       GLN   3  13.854   8.955   0.809
   19   1HG   GLN   3          2HG       GLN   3  12.151  10.771   0.662
   20   2HG   GLN   3          1HG       GLN   3  13.293  11.829   1.491
   21   1HE2  GLN   3          1HE2      GLN   3  15.475  11.968   0.454
   22   2HE2  GLN   3          2HE2      GLN   3  15.525  12.046  -1.271
   23    H    VAL   4           H        VAL   4  10.565   8.900   2.618
   24    HA   VAL   4           HA       VAL   4  10.835   6.162   1.624
   25    HB   VAL   4           HB       VAL   4   9.247   5.261   3.199
   26   1HG1  VAL   4          1HG1      VAL   4  10.884   6.583   5.203
   27   2HG1  VAL   4          2HG1      VAL   4  11.818   6.021   3.816
   28   3HG1  VAL   4          3HG1      VAL   4  10.818   4.886   4.728
   29   1HG2  VAL   4          1HG2      VAL   4   7.760   7.032   3.625
   30   2HG2  VAL   4          2HG2      VAL   4   9.053   8.090   4.195
   31   3HG2  VAL   4          3HG2      VAL   4   8.550   6.706   5.168
   32    H    VAL   5           H        VAL   5   9.123   5.421   0.394
   33    HA   VAL   5           HA       VAL   5   7.267   7.505  -0.510
   34    HB   VAL   5           HB       VAL   5   6.757   5.931  -2.380
   35   1HG1  VAL   5          1HG1      VAL   5   9.492   7.015  -1.901
   36   2HG1  VAL   5          2HG1      VAL   5   8.261   7.529  -3.054
   37   3HG1  VAL   5          3HG1      VAL   5   9.188   6.058  -3.351
   38   1HG2  VAL   5          1HG2      VAL   5   8.122   3.989  -2.754
   39   2HG2  VAL   5          2HG2      VAL   5   7.373   3.860  -1.166
   40   3HG2  VAL   5          3HG2      VAL   5   9.070   4.322  -1.305
   41    H    GLN   6           H        GLN   6   5.207   7.438   0.123
   42    HA   GLN   6           HA       GLN   6   4.351   5.096   1.623
   43   1HB   GLN   6          2HB       GLN   6   3.452   7.951   1.552
   44   2HB   GLN   6          1HB       GLN   6   2.436   6.705   2.258
   45   1HG   GLN   6          2HG       GLN   6   3.630   6.636   4.115
   46   2HG   GLN   6          1HG       GLN   6   5.154   6.555   3.231
   47   1HE2  GLN   6          1HE2      GLN   6   5.253   8.892   1.909
   48   2HE2  GLN   6          2HE2      GLN   6   5.266  10.224   3.009
   49    H    PHE   7           H        PHE   7   2.435   4.013   1.282
   50    HA   PHE   7           HA       PHE   7   1.333   4.310  -1.409
   51   1HB   PHE   7          2HB       PHE   7   1.995   2.075  -1.087
   52   2HB   PHE   7          1HB       PHE   7   1.411   2.045   0.571
   53    HD1  PHE   7           1HD      PHE   7  -0.291   0.550   0.840
   54    HD2  PHE   7           2HD      PHE   7  -0.141   2.867  -2.724
   55    HE1  PHE   7           1HE      PHE   7  -2.403  -0.460   0.101
   56    HE2  PHE   7           2HE      PHE   7  -2.255   1.859  -3.472
   57    HZ   PHE   7           HZ       PHE   7  -3.392   0.191  -2.060
   58    H    LYS   8           H        LYS   8  -0.675   4.948  -1.754
   59    HA   LYS   8           HA       LYS   8  -2.421   5.465   0.563
   60   1HB   LYS   8          2HB       LYS   8  -1.403   7.443  -0.673
   61   2HB   LYS   8          1HB       LYS   8  -2.404   6.985  -2.041
   62   1HG   LYS   8          2HG       LYS   8  -4.374   7.170  -0.418
   63   2HG   LYS   8          1HG       LYS   8  -3.246   8.029   0.633
   64   1HD   LYS   8          2HD       LYS   8  -4.047   8.783  -2.175
   65   2HD   LYS   8          1HD       LYS   8  -4.467   9.633  -0.687
   66   1HE   LYS   8          2HE       LYS   8  -2.305  10.442  -0.393
   67   2HE   LYS   8          1HE       LYS   8  -1.594   9.216  -1.441
   68   1HZ   LYS   8          1HZ       LYS   8  -1.601  11.341  -2.538
   69   2HZ   LYS   8          2HZ       LYS   8  -3.269  11.506  -2.314
   70   3HZ   LYS   8          3HZ       LYS   8  -2.670  10.299  -3.336
   71    H    LEU   9           H        LEU   9  -4.605   5.001   0.379
   72    HA   LEU   9           HA       LEU   9  -5.355   2.864  -1.290
   73   1HB   LEU   9          2HB       LEU   9  -6.379   3.411   0.907
   74   2HB   LEU   9          1HB       LEU   9  -7.140   4.809   0.181
   75    HG   LEU   9           HG       LEU   9  -8.669   2.877   0.487
   76   1HD1  LEU   9          1HD1      LEU   9  -9.862   3.568  -1.256
   77   2HD1  LEU   9          2HD1      LEU   9  -8.645   3.037  -2.416
   78   3HD1  LEU   9          3HD1      LEU   9  -8.493   4.609  -1.632
   79   1HD2  LEU   9          1HD2      LEU   9  -7.956   1.303  -1.740
   80   2HD2  LEU   9          2HD2      LEU   9  -8.037   0.838  -0.037
   81   3HD2  LEU   9          3HD2      LEU   9  -6.528   1.452  -0.715
   82    H    SER  10           H        SER  10  -5.699   2.930  -3.411
   83    HA   SER  10           HA       SER  10  -6.828   5.393  -4.571
   84   1HB   SER  10          2HB       SER  10  -4.434   4.504  -5.217
   85   2HB   SER  10          1HB       SER  10  -5.348   3.396  -6.240
   86    HG   SER  10           HG       SER  10  -4.681   5.532  -7.142
   87    H    ASP  11           H        ASP  11  -7.865   4.864  -6.804
   88    HA   ASP  11           HA       ASP  11  -9.345   3.689  -8.112
   89   1HB   ASP  11          2HB       ASP  11  -8.290   1.593  -6.794
   90   2HB   ASP  11          1HB       ASP  11  -9.922   1.559  -6.133
   91    H    ILE  12           H        ILE  12  -9.829   4.610  -4.853
   92    HA   ILE  12           HA       ILE  12 -12.742   4.663  -5.246
   93    HB   ILE  12           HB       ILE  12 -11.093   4.726  -2.716
   94   1HG1  ILE  12          2HG1      ILE  12 -13.360   2.862  -3.300
   95   2HG1  ILE  12          1HG1      ILE  12 -11.787   2.564  -4.036
   96   1HG2  ILE  12          1HG2      ILE  12 -14.040   5.235  -3.063
   97   2HG2  ILE  12          2HG2      ILE  12 -12.841   6.299  -2.331
   98   3HG2  ILE  12          3HG2      ILE  12 -13.300   4.800  -1.522
   99   1HD1  ILE  12          1HD1      ILE  12 -10.845   1.939  -2.083
  100   2HD1  ILE  12          2HD1      ILE  12 -12.519   1.545  -1.689
  101   3HD1  ILE  12          3HD1      ILE  12 -11.815   3.060  -1.127
  102    H    GLY  13           H        GLY  13 -13.895   6.569  -4.522
  103   1HA   GLY  13          2HA       GLY  13 -12.283   9.013  -4.891
  104   2HA   GLY  13          1HA       GLY  13 -13.968   8.852  -5.365
  105    H    GLU  14           H        GLU  14 -12.933  10.921  -3.729
  106    HA   GLU  14           HA       GLU  14 -13.446  10.377  -0.979
  107   1HB   GLU  14          2HB       GLU  14 -12.081  12.307  -2.165
  108   2HB   GLU  14          1HB       GLU  14 -13.625  13.144  -2.084
  109   1HG   GLU  14          2HG       GLU  14 -13.449  12.255   0.443
  110   2HG   GLU  14          1HG       GLU  14 -11.738  12.431   0.058
  111    H    GLY  15           H        GLY  15 -15.531   9.393  -0.989
  112   1HA   GLY  15          2HA       GLY  15 -17.649  10.817  -0.167
  113   2HA   GLY  15          1HA       GLY  15 -17.791  10.966  -1.911
  114    H    ILE  16           H        ILE  16 -16.620   8.185  -2.190
  115    HA   ILE  16           HA       ILE  16 -19.160   6.794  -1.754
  116    HB   ILE  16           HB       ILE  16 -18.494   5.218  -3.422
  117   1HG1  ILE  16          2HG1      ILE  16 -15.858   6.587  -3.867
  118   2HG1  ILE  16          1HG1      ILE  16 -15.986   5.338  -2.634
  119   1HG2  ILE  16          1HG2      ILE  16 -17.471   7.595  -4.803
  120   2HG2  ILE  16          2HG2      ILE  16 -18.986   7.828  -3.932
  121   3HG2  ILE  16          3HG2      ILE  16 -18.864   6.575  -5.167
  122   1HD1  ILE  16          1HD1      ILE  16 -16.250   3.672  -4.152
  123   2HD1  ILE  16          2HD1      ILE  16 -15.274   4.789  -5.106
  124   3HD1  ILE  16          3HD1      ILE  16 -17.021   4.721  -5.341
  125    H    ARG  17           H        ARG  17 -18.415   4.196  -1.797
  126    HA   ARG  17           HA       ARG  17 -17.654   3.707   0.878
  127   1HB   ARG  17          2HB       ARG  17 -17.725   1.729  -1.404
  128   2HB   ARG  17          1HB       ARG  17 -17.818   1.361   0.312
  129   1HG   ARG  17          2HG       ARG  17 -19.917   3.055   0.030
  130   2HG   ARG  17          1HG       ARG  17 -19.900   2.256  -1.544
  131   1HD   ARG  17          2HD       ARG  17 -19.780   0.740   1.051
  132   2HD   ARG  17          1HD       ARG  17 -21.302   1.166   0.269
  133    HE   ARG  17           HE       ARG  17 -19.729  -0.102  -1.636
  134   1HH1  ARG  17          1HH1      ARG  17 -21.230  -0.863   1.411
  135   2HH1  ARG  17          2HH1      ARG  17 -21.442  -2.540   1.037
  136   1HH2  ARG  17          1HH2      ARG  17 -20.005  -2.312  -2.142
  137   2HH2  ARG  17          2HH2      ARG  17 -20.746  -3.364  -0.983
  138    H    GLU  18           H        GLU  18 -15.829   2.542   1.655
  139    HA   GLU  18           HA       GLU  18 -13.386   3.149   0.158
  140   1HB   GLU  18          2HB       GLU  18 -13.949   2.550   3.055
  141   2HB   GLU  18          1HB       GLU  18 -12.312   2.533   2.411
  142   1HG   GLU  18          2HG       GLU  18 -12.296   4.693   2.973
  143   2HG   GLU  18          1HG       GLU  18 -13.224   4.916   1.488
  144    H    VAL  19           H        VAL  19 -11.550   1.382   0.620
  145    HA   VAL  19           HA       VAL  19 -12.874  -1.225   0.162
  146    HB   VAL  19           HB       VAL  19 -11.887  -0.267  -1.905
  147   1HG1  VAL  19          1HG1      VAL  19  -9.542  -0.112  -2.207
  148   2HG1  VAL  19          2HG1      VAL  19  -9.226  -0.840  -0.631
  149   3HG1  VAL  19          3HG1      VAL  19  -9.932   0.774  -0.732
  150   1HG2  VAL  19          1HG2      VAL  19 -10.544  -2.807  -0.999
  151   2HG2  VAL  19          2HG2      VAL  19 -10.908  -2.325  -2.656
  152   3HG2  VAL  19          3HG2      VAL  19 -12.219  -2.702  -1.539
  153    H    THR  20           H        THR  20 -11.900  -3.104   0.832
  154    HA   THR  20           HA       THR  20 -10.094  -2.784   3.115
  155    HB   THR  20           HB       THR  20 -11.199  -5.453   2.467
  156    HG1  THR  20           1HG      THR  20 -13.017  -4.211   2.004
  157   1HG2  THR  20          1HG2      THR  20 -11.221  -3.879   5.041
  158   2HG2  THR  20          2HG2      THR  20  -9.886  -4.908   4.521
  159   3HG2  THR  20          3HG2      THR  20 -11.470  -5.613   4.841
  160    H    VAL  21           H        VAL  21  -8.343  -4.297   3.419
  161    HA   VAL  21           HA       VAL  21  -6.906  -4.761   0.956
  162    HB   VAL  21           HB       VAL  21  -6.117  -5.526   3.771
  163   1HG1  VAL  21          1HG1      VAL  21  -4.639  -6.750   2.569
  164   2HG1  VAL  21          2HG1      VAL  21  -3.804  -5.201   2.462
  165   3HG1  VAL  21          3HG1      VAL  21  -4.817  -5.750   1.127
  166   1HG2  VAL  21          1HG2      VAL  21  -5.767  -3.011   2.187
  167   2HG2  VAL  21          2HG2      VAL  21  -4.579  -3.473   3.406
  168   3HG2  VAL  21          3HG2      VAL  21  -6.261  -3.213   3.868
  169    H    LYS  22           H        LYS  22  -6.680  -6.637  -0.114
  170    HA   LYS  22           HA       LYS  22  -8.039  -8.988   1.004
  171   1HB   LYS  22          2HB       LYS  22  -8.747  -7.966  -1.233
  172   2HB   LYS  22          1HB       LYS  22  -7.241  -8.606  -1.876
  173   1HG   LYS  22          2HG       LYS  22  -8.776 -10.242  -2.420
  174   2HG   LYS  22          1HG       LYS  22  -8.059 -10.863  -0.932
  175   1HD   LYS  22          2HD       LYS  22  -9.955  -9.952   0.340
  176   2HD   LYS  22          1HD       LYS  22 -10.674  -9.374  -1.164
  177   1HE   LYS  22          2HE       LYS  22 -11.725 -11.444  -0.564
  178   2HE   LYS  22          1HE       LYS  22 -10.711 -11.720  -1.980
  179   1HZ   LYS  22          1HZ       LYS  22  -9.174 -12.179   0.317
  180   2HZ   LYS  22          2HZ       LYS  22  -9.644 -13.290  -0.869
  181   3HZ   LYS  22          3HZ       LYS  22 -10.625 -13.033   0.484
  182    H    GLU  23           H        GLU  23  -4.972  -7.784  -0.038
  183    HA   GLU  23           HA       GLU  23  -3.778 -10.389   0.602
  184   1HB   GLU  23          2HB       GLU  23  -3.931  -9.976  -1.903
  185   2HB   GLU  23          1HB       GLU  23  -2.778  -8.670  -1.664
  186   1HG   GLU  23          2HG       GLU  23  -1.183 -10.173  -1.967
  187   2HG   GLU  23          1HG       GLU  23  -1.611 -10.822  -0.385
  188    H    TRP  24           H        TRP  24  -2.358 -10.190   2.182
  189    HA   TRP  24           HA       TRP  24  -0.786  -7.710   2.382
  190   1HB   TRP  24          2HB       TRP  24  -2.521  -8.988   4.405
  191   2HB   TRP  24          1HB       TRP  24  -0.935  -8.492   4.985
  192    HD1  TRP  24           HD       TRP  24  -4.241  -7.199   4.933
  193    HE1  TRP  24           1HE      TRP  24  -4.308  -4.628   4.953
  194    HE3  TRP  24           3HE      TRP  24   0.598  -6.258   3.593
  195    HZ2  TRP  24           2HZ      TRP  24  -2.540  -2.482   4.467
  196    HZ3  TRP  24           3HZ      TRP  24   1.331  -3.919   3.396
  197    HH2  TRP  24           HH       TRP  24  -0.205  -2.070   3.822
  198    H    TYR  25           H        TYR  25   1.294  -8.183   2.088
  199    HA   TYR  25           HA       TYR  25   2.351 -10.631   3.322
  200   1HB   TYR  25          2HB       TYR  25   2.436  -9.848   0.459
  201   2HB   TYR  25          1HB       TYR  25   3.902 -10.554   1.135
  202    HD1  TYR  25           1HD      TYR  25   3.532 -12.774   2.506
  203    HD2  TYR  25           2HD      TYR  25   0.816 -11.259  -0.397
  204    HE1  TYR  25           1HE      TYR  25   2.575 -15.023   2.237
  205    HE2  TYR  25           2HE      TYR  25  -0.150 -13.504  -0.674
  206    HH   TYR  25           HH       TYR  25   0.262 -15.750  -0.273
  207    H    VAL  26           H        VAL  26   2.492  -8.059   4.388
  208    HA   VAL  26           HA       VAL  26   5.345  -7.788   4.652
  209    HB   VAL  26           HB       VAL  26   5.545  -5.479   4.029
  210   1HG1  VAL  26          1HG1      VAL  26   5.219  -5.600   1.639
  211   2HG1  VAL  26          2HG1      VAL  26   4.087  -6.936   1.830
  212   3HG1  VAL  26          3HG1      VAL  26   5.788  -7.155   2.244
  213   1HG2  VAL  26          1HG2      VAL  26   3.823  -4.069   3.989
  214   2HG2  VAL  26          2HG2      VAL  26   2.753  -5.410   4.393
  215   3HG2  VAL  26          3HG2      VAL  26   3.049  -4.996   2.705
  216    H    LYS  27           H        LYS  27   5.942  -6.409   6.452
  217    HA   LYS  27           HA       LYS  27   3.722  -5.602   8.187
  218   1HB   LYS  27          2HB       LYS  27   5.918  -7.528   8.913
  219   2HB   LYS  27          1HB       LYS  27   5.015  -6.638  10.131
  220   1HG   LYS  27          2HG       LYS  27   3.498  -8.178   8.092
  221   2HG   LYS  27          1HG       LYS  27   4.308  -9.058   9.390
  222   1HD   LYS  27          2HD       LYS  27   2.887  -8.289  10.973
  223   2HD   LYS  27          1HD       LYS  27   2.741  -6.700  10.218
  224   1HE   LYS  27          2HE       LYS  27   0.918  -7.292   9.046
  225   2HE   LYS  27          1HE       LYS  27   1.565  -8.887   8.664
  226   1HZ   LYS  27          1HZ       LYS  27   0.921  -9.656  10.843
  227   2HZ   LYS  27          2HZ       LYS  27  -0.424  -8.996  10.059
  228   3HZ   LYS  27          3HZ       LYS  27   0.364  -8.116  11.270
  229    H    GLU  28           H        GLU  28   4.476  -4.329  10.083
  230    HA   GLU  28           HA       GLU  28   5.970  -2.117   9.312
  231   1HB   GLU  28          2HB       GLU  28   5.798  -2.959  12.194
  232   2HB   GLU  28          1HB       GLU  28   5.748  -1.339  11.517
  233   1HG   GLU  28          2HG       GLU  28   3.535  -2.154  10.427
  234   2HG   GLU  28          1HG       GLU  28   3.590  -3.385  11.688
  235    H    GLY  29           H        GLY  29   8.101  -1.604   9.323
  236   1HA   GLY  29          2HA       GLY  29  10.369  -1.785   9.724
  237   2HA   GLY  29          1HA       GLY  29  10.004  -2.966  10.973
  238    H    ASP  30           H        ASP  30   8.482  -3.944   8.185
  239    HA   ASP  30           HA       ASP  30  10.563  -5.930   7.696
  240   1HB   ASP  30          2HB       ASP  30   7.921  -6.275   8.035
  241   2HB   ASP  30          1HB       ASP  30   7.957  -6.088   6.284
  242    H    THR  31           H        THR  31  11.209  -6.500   5.556
  243    HA   THR  31           HA       THR  31  11.221  -4.183   3.762
  244    HB   THR  31           HB       THR  31  12.939  -6.641   3.468
  245    HG1  THR  31           1HG      THR  31  13.989  -5.994   5.181
  246   1HG2  THR  31          1HG2      THR  31  12.670  -4.938   1.600
  247   2HG2  THR  31          2HG2      THR  31  14.322  -5.268   2.125
  248   3HG2  THR  31          3HG2      THR  31  13.506  -3.798   2.655
  249    H    VAL  32           H        VAL  32  10.772  -4.369   1.572
  250    HA   VAL  32           HA       VAL  32   9.066  -6.641   0.844
  251    HB   VAL  32           HB       VAL  32   8.698  -4.689  -1.110
  252   1HG1  VAL  32          1HG1      VAL  32   7.198  -6.116   0.819
  253   2HG1  VAL  32          2HG1      VAL  32   6.638  -5.349  -0.668
  254   3HG1  VAL  32          3HG1      VAL  32   6.663  -4.437   0.841
  255   1HG2  VAL  32          1HG2      VAL  32   8.917  -3.387   1.593
  256   2HG2  VAL  32          2HG2      VAL  32   7.984  -2.702   0.264
  257   3HG2  VAL  32          3HG2      VAL  32   9.724  -2.926   0.095
  258    H    SER  33           H        SER  33   9.092  -7.240  -1.482
  259    HA   SER  33           HA       SER  33  11.692  -6.781  -2.760
  260   1HB   SER  33          2HB       SER  33  12.254  -8.996  -2.916
  261   2HB   SER  33          1HB       SER  33  11.328  -9.067  -1.417
  262    HG   SER  33           HG       SER  33  10.821 -10.621  -3.208
  263    H    GLN  34           H        GLN  34  11.686  -7.584  -5.064
  264    HA   GLN  34           HA       GLN  34   9.702  -6.330  -6.533
  265   1HB   GLN  34          2HB       GLN  34  12.022  -7.100  -7.288
  266   2HB   GLN  34          1HB       GLN  34  11.288  -8.671  -7.574
  267   1HG   GLN  34          2HG       GLN  34   9.602  -6.872  -8.848
  268   2HG   GLN  34          1HG       GLN  34  11.229  -6.282  -9.188
  269   1HE2  GLN  34          1HE2      GLN  34   9.251  -9.213  -9.238
  270   2HE2  GLN  34          2HE2      GLN  34  10.025  -9.924 -10.610
  271    H    PHE  35           H        PHE  35   9.952  -9.700  -5.527
  272    HA   PHE  35           HA       PHE  35   7.478 -10.378  -6.900
  273   1HB   PHE  35          2HB       PHE  35   9.616 -11.864  -6.657
  274   2HB   PHE  35          1HB       PHE  35   8.944 -12.250  -5.076
  275    HD1  PHE  35           1HD      PHE  35   8.442 -12.516  -8.701
  276    HD2  PHE  35           2HD      PHE  35   7.011 -13.636  -4.853
  277    HE1  PHE  35           1HE      PHE  35   6.995 -14.215  -9.738
  278    HE2  PHE  35           2HE      PHE  35   5.562 -15.337  -5.882
  279    HZ   PHE  35           HZ       PHE  35   5.553 -15.628  -8.328
  280    H    ASP  36           H        ASP  36   8.530  -9.417  -3.769
  281    HA   ASP  36           HA       ASP  36   6.135 -10.471  -2.479
  282   1HB   ASP  36          2HB       ASP  36   8.763  -9.915  -1.601
  283   2HB   ASP  36          1HB       ASP  36   7.702  -8.797  -0.749
  284    H    SER  37           H        SER  37   4.449  -9.256  -3.237
  285    HA   SER  37           HA       SER  37   4.493  -6.436  -3.508
  286   1HB   SER  37          2HB       SER  37   2.194  -8.390  -3.282
  287   2HB   SER  37          1HB       SER  37   1.990  -6.674  -3.635
  288    HG   SER  37           HG       SER  37   2.316  -7.228  -5.628
  289    H    ILE  38           H        ILE  38   3.166  -4.906  -2.252
  290    HA   ILE  38           HA       ILE  38   3.597  -5.338   0.587
  291    HB   ILE  38           HB       ILE  38   2.430  -2.907  -0.768
  292   1HG1  ILE  38          2HG1      ILE  38   5.232  -3.863  -0.363
  293   2HG1  ILE  38          1HG1      ILE  38   4.537  -2.988  -1.718
  294   1HG2  ILE  38          1HG2      ILE  38   2.055  -3.280   1.721
  295   2HG2  ILE  38          2HG2      ILE  38   2.815  -1.758   1.261
  296   3HG2  ILE  38          3HG2      ILE  38   3.795  -3.071   1.912
  297   1HD1  ILE  38          1HD1      ILE  38   5.210  -1.801   0.963
  298   2HD1  ILE  38          2HD1      ILE  38   4.582  -0.930  -0.436
  299   3HD1  ILE  38          3HD1      ILE  38   6.186  -1.663  -0.500
  300    H    CYS  39           H        CYS  39   0.791  -3.890  -1.071
  301    HA   CYS  39           HA       CYS  39  -0.960  -5.758   0.338
  302   1HB   CYS  39          2HB       CYS  39  -2.455  -3.546   0.657
  303   2HB   CYS  39          1HB       CYS  39  -1.348  -4.142   1.885
  304    HG   CYS  39           HG       CYS  39  -0.067  -1.954  -0.342
  305    H    GLU  40           H        GLU  40  -3.029  -6.012  -0.592
  306    HA   GLU  40           HA       GLU  40  -3.442  -4.710  -3.187
  307   1HB   GLU  40          2HB       GLU  40  -3.942  -7.656  -2.846
  308   2HB   GLU  40          1HB       GLU  40  -3.831  -6.729  -4.336
  309   1HG   GLU  40          2HG       GLU  40  -1.485  -6.536  -4.155
  310   2HG   GLU  40          1HG       GLU  40  -1.494  -7.120  -2.491
  311    H    VAL  41           H        VAL  41  -5.449  -3.968  -3.417
  312    HA   VAL  41           HA       VAL  41  -7.517  -4.981  -1.578
  313    HB   VAL  41           HB       VAL  41  -8.656  -2.814  -1.886
  314   1HG1  VAL  41          1HG1      VAL  41  -6.385  -3.358  -0.365
  315   2HG1  VAL  41          2HG1      VAL  41  -7.563  -2.073  -0.096
  316   3HG1  VAL  41          3HG1      VAL  41  -6.109  -1.753  -1.041
  317   1HG2  VAL  41          1HG2      VAL  41  -6.168  -2.001  -3.387
  318   2HG2  VAL  41          2HG2      VAL  41  -7.538  -0.966  -2.984
  319   3HG2  VAL  41          3HG2      VAL  41  -7.745  -2.302  -4.118
  320    H    GLN  42           H        GLN  42  -9.598  -5.387  -2.356
  321    HA   GLN  42           HA       GLN  42  -9.950  -5.312  -5.270
  322   1HB   GLN  42          2HB       GLN  42 -10.465  -7.687  -3.476
  323   2HB   GLN  42          1HB       GLN  42 -11.036  -7.567  -5.134
  324   1HG   GLN  42          2HG       GLN  42  -8.481  -7.104  -5.609
  325   2HG   GLN  42          1HG       GLN  42  -8.289  -7.988  -4.095
  326   1HE2  GLN  42          1HE2      GLN  42  -7.128  -9.348  -5.802
  327   2HE2  GLN  42          2HE2      GLN  42  -8.063 -10.610  -6.523
  328    H    SER  43           H        SER  43 -11.800  -4.387  -5.836
  329    HA   SER  43           HA       SER  43 -14.013  -4.362  -3.891
  330   1HB   SER  43          2HB       SER  43 -12.994  -2.149  -5.667
  331   2HB   SER  43          1HB       SER  43 -14.615  -2.119  -4.972
  332    HG   SER  43           HG       SER  43 -13.697  -2.153  -2.922
  333    H    ASP  44           H        ASP  44 -16.155  -4.278  -4.776
  334    HA   ASP  44           HA       ASP  44 -16.754  -6.112  -6.700
  335   1HB   ASP  44          2HB       ASP  44 -18.271  -3.662  -5.819
  336   2HB   ASP  44          1HB       ASP  44 -18.941  -4.795  -6.989
  337    H    LYS  45           H        LYS  45 -15.999  -2.717  -7.179
  338    HA   LYS  45           HA       LYS  45 -16.727  -2.585  -9.912
  339   1HB   LYS  45          2HB       LYS  45 -16.431  -0.591  -8.494
  340   2HB   LYS  45          1HB       LYS  45 -14.709  -0.928  -8.387
  341   1HG   LYS  45          2HG       LYS  45 -15.339  -0.872 -11.125
  342   2HG   LYS  45          1HG       LYS  45 -16.145   0.514 -10.387
  343   1HD   LYS  45          2HD       LYS  45 -13.279  -0.111  -9.771
  344   2HD   LYS  45          1HD       LYS  45 -13.718   0.792 -11.223
  345   1HE   LYS  45          2HE       LYS  45 -13.254   2.414  -9.575
  346   2HE   LYS  45          1HE       LYS  45 -15.011   2.346  -9.702
  347   1HZ   LYS  45          1HZ       LYS  45 -14.151   2.403  -7.391
  348   2HZ   LYS  45          2HZ       LYS  45 -13.450   0.885  -7.645
  349   3HZ   LYS  45          3HZ       LYS  45 -15.130   1.062  -7.718
  350    H    ALA  46           H        ALA  46 -13.439  -2.496  -8.537
  351    HA   ALA  46           HA       ALA  46 -12.536  -4.427 -10.516
  352   1HB   ALA  46          1HB       ALA  46 -11.865  -1.546 -10.595
  353   2HB   ALA  46          2HB       ALA  46 -11.992  -2.719 -11.906
  354   3HB   ALA  46          3HB       ALA  46 -10.550  -2.682 -10.891
  355    H    SER  47           H        SER  47 -10.364  -5.214 -10.093
  356    HA   SER  47           HA       SER  47  -9.738  -5.081  -7.233
  357   1HB   SER  47          2HB       SER  47  -8.137  -7.051  -8.435
  358   2HB   SER  47          1HB       SER  47  -9.585  -7.306  -7.459
  359    HG   SER  47           HG       SER  47  -9.676  -8.270  -9.574
  360    H    VAL  48           H        VAL  48  -7.769  -4.433  -6.467
  361    HA   VAL  48           HA       VAL  48  -5.819  -3.490  -8.466
  362    HB   VAL  48           HB       VAL  48  -6.151  -2.159  -5.794
  363   1HG1  VAL  48          1HG1      VAL  48  -4.733  -1.603  -8.345
  364   2HG1  VAL  48          2HG1      VAL  48  -4.196  -1.383  -6.680
  365   3HG1  VAL  48          3HG1      VAL  48  -5.321  -0.234  -7.402
  366   1HG2  VAL  48          1HG2      VAL  48  -8.173  -1.433  -6.404
  367   2HG2  VAL  48          2HG2      VAL  48  -7.987  -2.051  -8.045
  368   3HG2  VAL  48          3HG2      VAL  48  -7.341  -0.466  -7.622
  369    H    THR  49           H        THR  49  -3.703  -3.928  -8.118
  370    HA   THR  49           HA       THR  49  -2.972  -5.286  -5.610
  371    HB   THR  49           HB       THR  49  -1.568  -6.849  -6.809
  372    HG1  THR  49           1HG      THR  49  -1.512  -6.825  -9.094
  373   1HG2  THR  49          1HG2      THR  49  -3.780  -7.394  -8.533
  374   2HG2  THR  49          2HG2      THR  49  -4.391  -6.784  -6.995
  375   3HG2  THR  49          3HG2      THR  49  -3.330  -8.192  -7.027
  376    H    ILE  50           H        ILE  50  -1.227  -4.430  -4.630
  377    HA   ILE  50           HA       ILE  50   0.309  -2.430  -6.125
  378    HB   ILE  50           HB       ILE  50   0.323  -2.912  -3.150
  379   1HG1  ILE  50          2HG1      ILE  50  -1.913  -2.273  -3.786
  380   2HG1  ILE  50          1HG1      ILE  50  -1.122  -0.873  -3.068
  381   1HG2  ILE  50          1HG2      ILE  50   0.965  -0.264  -3.765
  382   2HG2  ILE  50          2HG2      ILE  50   1.868  -1.248  -4.916
  383   3HG2  ILE  50          3HG2      ILE  50   2.056  -1.522  -3.183
  384   1HD1  ILE  50          1HD1      ILE  50  -0.648  -0.045  -5.356
  385   2HD1  ILE  50          2HD1      ILE  50  -2.366  -0.165  -4.978
  386   3HD1  ILE  50          3HD1      ILE  50  -1.598  -1.388  -5.991
  387    H    THR  51           H        THR  51   1.992  -3.290  -7.123
  388    HA   THR  51           HA       THR  51   3.535  -5.424  -5.887
  389    HB   THR  51           HB       THR  51   4.708  -4.404  -8.321
  390    HG1  THR  51           1HG      THR  51   2.796  -5.113  -9.613
  391   1HG2  THR  51          1HG2      THR  51   4.574  -6.672  -9.008
  392   2HG2  THR  51          2HG2      THR  51   3.255  -7.009  -7.887
  393   3HG2  THR  51          3HG2      THR  51   4.880  -6.704  -7.272
  394    H    SER  52           H        SER  52   5.973  -5.207  -6.011
  395    HA   SER  52           HA       SER  52   6.687  -2.629  -4.839
  396   1HB   SER  52          2HB       SER  52   8.387  -5.124  -4.924
  397   2HB   SER  52          1HB       SER  52   8.565  -3.731  -3.857
  398    HG   SER  52           HG       SER  52   7.293  -5.891  -3.292
  399    H    ARG  53           H        ARG  53   8.038  -4.941  -7.201
  400    HA   ARG  53           HA       ARG  53   9.157  -4.587  -9.159
  401   1HB   ARG  53          2HB       ARG  53   8.725  -2.696 -10.331
  402   2HB   ARG  53          1HB       ARG  53   7.615  -2.365  -9.022
  403   1HG   ARG  53          2HG       ARG  53   8.654  -0.377  -8.997
  404   2HG   ARG  53          1HG       ARG  53   9.827  -1.235  -8.006
  405   1HD   ARG  53          2HD       ARG  53  10.165   0.007 -10.584
  406   2HD   ARG  53          1HD       ARG  53  11.375  -0.595  -9.465
  407    HE   ARG  53           HE       ARG  53  11.434  -2.616 -10.625
  408   1HH1  ARG  53          1HH1      ARG  53   9.005  -0.494 -11.984
  409   2HH1  ARG  53          2HH1      ARG  53   8.891  -1.379 -13.464
  410   1HH2  ARG  53          1HH2      ARG  53  11.263  -3.779 -12.569
  411   2HH2  ARG  53          2HH2      ARG  53  10.164  -3.243 -13.796
  412    H    TYR  54           H        TYR  54  10.155  -3.881  -6.149
  413    HA   TYR  54           HA       TYR  54  12.881  -4.188  -6.660
  414   1HB   TYR  54          2HB       TYR  54  12.019  -1.524  -7.005
  415   2HB   TYR  54          1HB       TYR  54  12.813  -1.572  -5.434
  416    HD1  TYR  54           1HD      TYR  54  13.266  -1.883  -9.044
  417    HD2  TYR  54           2HD      TYR  54  15.192  -2.118  -5.257
  418    HE1  TYR  54           1HE      TYR  54  15.456  -1.790 -10.159
  419    HE2  TYR  54           2HE      TYR  54  17.388  -2.024  -6.361
  420    HH   TYR  54           HH       TYR  54  17.675  -1.828  -9.897
  421    H    ASP  55           H        ASP  55  14.132  -3.659  -4.488
  422    HA   ASP  55           HA       ASP  55  12.393  -4.695  -2.382
  423   1HB   ASP  55          2HB       ASP  55  15.367  -4.417  -2.097
  424   2HB   ASP  55          1HB       ASP  55  14.279  -5.577  -1.338
  425    H    GLY  56           H        GLY  56  11.628  -3.438  -0.864
  426   1HA   GLY  56          2HA       GLY  56  13.135  -1.013  -0.124
  427   2HA   GLY  56          1HA       GLY  56  11.408  -0.938  -0.441
  428    H    VAL  57           H        VAL  57  12.406  -0.065   1.975
  429    HA   VAL  57           HA       VAL  57  11.816  -2.255   3.843
  430    HB   VAL  57           HB       VAL  57  13.033   0.428   4.492
  431   1HG1  VAL  57          1HG1      VAL  57  12.587  -0.181   6.585
  432   2HG1  VAL  57          2HG1      VAL  57  13.777  -1.467   6.381
  433   3HG1  VAL  57          3HG1      VAL  57  12.070  -1.789   6.077
  434   1HG2  VAL  57          1HG2      VAL  57  14.293  -2.199   3.770
  435   2HG2  VAL  57          2HG2      VAL  57  15.135  -1.014   4.769
  436   3HG2  VAL  57          3HG2      VAL  57  14.639  -0.592   3.130
  437    H    ILE  58           H        ILE  58   9.929  -2.322   4.824
  438    HA   ILE  58           HA       ILE  58   8.207   0.057   4.847
  439    HB   ILE  58           HB       ILE  58   7.394  -2.753   5.596
  440   1HG1  ILE  58          2HG1      ILE  58   7.177  -1.451   2.877
  441   2HG1  ILE  58          1HG1      ILE  58   8.392  -2.651   3.305
  442   1HG2  ILE  58          1HG2      ILE  58   5.200  -1.655   4.556
  443   2HG2  ILE  58          2HG2      ILE  58   5.996  -0.183   5.117
  444   3HG2  ILE  58          3HG2      ILE  58   5.629  -1.476   6.259
  445   1HD1  ILE  58          1HD1      ILE  58   6.975  -4.336   3.015
  446   2HD1  ILE  58          2HD1      ILE  58   5.952  -3.163   2.187
  447   3HD1  ILE  58          3HD1      ILE  58   5.683  -3.518   3.893
  448    H    LYS  59           H        LYS  59   7.880   1.143   6.683
  449    HA   LYS  59           HA       LYS  59   9.091   0.056   9.108
  450   1HB   LYS  59          2HB       LYS  59   9.743   2.299   8.221
  451   2HB   LYS  59          1HB       LYS  59   8.133   2.871   8.629
  452   1HG   LYS  59          2HG       LYS  59   8.505   2.550  10.944
  453   2HG   LYS  59          1HG       LYS  59   9.996   1.653  10.644
  454   1HD   LYS  59          2HD       LYS  59  10.878   3.769   9.556
  455   2HD   LYS  59          1HD       LYS  59   9.479   4.589  10.250
  456   1HE   LYS  59          2HE       LYS  59  10.848   2.955  12.208
  457   2HE   LYS  59          1HE       LYS  59  11.931   4.141  11.480
  458   1HZ   LYS  59          1HZ       LYS  59  10.608   5.898  12.203
  459   2HZ   LYS  59          2HZ       LYS  59  10.620   4.842  13.524
  460   3HZ   LYS  59          3HZ       LYS  59   9.269   4.910  12.508
  461    H    LYS  60           H        LYS  60   5.930   1.354   8.057
  462    HA   LYS  60           HA       LYS  60   4.784  -0.004  10.361
  463   1HB   LYS  60          2HB       LYS  60   3.799   1.816  11.389
  464   2HB   LYS  60          1HB       LYS  60   5.375   2.440  10.939
  465   1HG   LYS  60          2HG       LYS  60   2.827   2.897   9.399
  466   2HG   LYS  60          1HG       LYS  60   3.554   4.038  10.531
  467   1HD   LYS  60          2HD       LYS  60   4.737   3.039   7.943
  468   2HD   LYS  60          1HD       LYS  60   4.150   4.667   8.286
  469   1HE   LYS  60          2HE       LYS  60   6.484   3.311   9.629
  470   2HE   LYS  60          1HE       LYS  60   6.592   4.547   8.379
  471   1HZ   LYS  60          1HZ       LYS  60   6.905   5.526  10.539
  472   2HZ   LYS  60          2HZ       LYS  60   5.437   4.894  11.093
  473   3HZ   LYS  60          3HZ       LYS  60   5.445   6.080   9.887
  474    H    LEU  61           H        LEU  61   2.616  -0.458  10.260
  475    HA   LEU  61           HA       LEU  61   1.197   0.166   7.772
  476   1HB   LEU  61          2HB       LEU  61   1.575  -2.576   8.976
  477   2HB   LEU  61          1HB       LEU  61   0.363  -2.213   7.762
  478    HG   LEU  61           HG       LEU  61   2.958  -1.327   6.861
  479   1HD1  LEU  61          1HD1      LEU  61   3.007  -4.252   6.955
  480   2HD1  LEU  61          2HD1      LEU  61   3.267  -3.461   8.509
  481   3HD1  LEU  61          3HD1      LEU  61   4.313  -3.083   7.141
  482   1HD2  LEU  61          1HD2      LEU  61   1.118  -1.694   5.370
  483   2HD2  LEU  61          2HD2      LEU  61   0.968  -3.372   5.894
  484   3HD2  LEU  61          3HD2      LEU  61   2.390  -2.854   4.988
  485    H    TYR  62           H        TYR  62  -1.041   0.386   8.027
  486    HA   TYR  62           HA       TYR  62  -1.978   0.181  10.814
  487   1HB   TYR  62          2HB       TYR  62  -1.641   2.510   9.831
  488   2HB   TYR  62          1HB       TYR  62  -3.034   2.164   8.811
  489    HD1  TYR  62           1HD      TYR  62  -2.407   1.339  12.392
  490    HD2  TYR  62           2HD      TYR  62  -4.752   3.523   9.594
  491    HE1  TYR  62           1HE      TYR  62  -3.901   2.052  14.210
  492    HE2  TYR  62           2HE      TYR  62  -6.253   4.242  11.404
  493    HH   TYR  62           HH       TYR  62  -6.421   4.422  13.698
  494    H    TYR  63           H        TYR  63  -2.937  -0.165   7.422
  495    HA   TYR  63           HA       TYR  63  -5.505  -1.276   8.271
  496   1HB   TYR  63          2HB       TYR  63  -4.525  -0.731   5.466
  497   2HB   TYR  63          1HB       TYR  63  -6.175  -1.112   5.951
  498    HD1  TYR  63           1HD      TYR  63  -3.490   1.420   6.448
  499    HD2  TYR  63           2HD      TYR  63  -7.666   0.612   6.448
  500    HE1  TYR  63           1HE      TYR  63  -3.946   3.819   6.736
  501    HE2  TYR  63           2HE      TYR  63  -8.135   3.008   6.736
  502    HH   TYR  63           HH       TYR  63  -6.770   5.042   7.756
  503    H    ASN  64           H        ASN  64  -6.070  -3.360   8.103
  504    HA   ASN  64           HA       ASN  64  -4.062  -5.218   7.014
  505   1HB   ASN  64          2HB       ASN  64  -6.111  -5.697   9.187
  506   2HB   ASN  64          1HB       ASN  64  -4.994  -6.907   8.559
  507   1HD2  ASN  64          1HD2      ASN  64  -3.289  -7.222   9.774
  508   2HD2  ASN  64          2HD2      ASN  64  -2.526  -6.057  10.796
  509    H    LEU  65           H        LEU  65  -5.370  -7.488   6.788
  510    HA   LEU  65           HA       LEU  65  -6.724  -7.367   4.393
  511   1HB   LEU  65          2HB       LEU  65  -6.404  -9.389   6.547
  512   2HB   LEU  65          1HB       LEU  65  -7.597  -9.697   5.306
  513    HG   LEU  65           HG       LEU  65  -4.906  -8.924   4.361
  514   1HD1  LEU  65          1HD1      LEU  65  -5.433 -11.318   6.029
  515   2HD1  LEU  65          2HD1      LEU  65  -3.963 -10.361   5.849
  516   3HD1  LEU  65          3HD1      LEU  65  -4.420 -11.518   4.599
  517   1HD2  LEU  65          1HD2      LEU  65  -6.703  -9.463   2.806
  518   2HD2  LEU  65          2HD2      LEU  65  -6.882 -11.053   3.548
  519   3HD2  LEU  65          3HD2      LEU  65  -5.397 -10.643   2.689
  520    H    ASP  66           H        ASP  66  -7.951  -6.849   7.587
  521    HA   ASP  66           HA       ASP  66 -10.712  -7.173   6.661
  522   1HB   ASP  66          2HB       ASP  66  -9.584  -6.847   9.444
  523   2HB   ASP  66          1HB       ASP  66 -11.299  -6.994   9.075
  524    H    ASP  67           H        ASP  67  -8.446  -4.718   7.634
  525    HA   ASP  67           HA       ASP  67 -10.455  -2.725   8.123
  526   1HB   ASP  67          2HB       ASP  67  -7.533  -2.205   7.613
  527   2HB   ASP  67          1HB       ASP  67  -8.670  -1.210   8.515
  528    H    ILE  68           H        ILE  68 -10.803  -0.831   6.960
  529    HA   ILE  68           HA       ILE  68 -10.454  -1.106   4.044
  530    HB   ILE  68           HB       ILE  68 -12.275   0.946   5.199
  531   1HG1  ILE  68          2HG1      ILE  68 -12.775  -1.112   6.506
  532   2HG1  ILE  68          1HG1      ILE  68 -14.114  -0.605   5.479
  533   1HG2  ILE  68          1HG2      ILE  68 -12.754  -0.899   2.886
  534   2HG2  ILE  68          2HG2      ILE  68 -11.761   0.555   2.736
  535   3HG2  ILE  68          3HG2      ILE  68 -13.460   0.684   3.198
  536   1HD1  ILE  68          1HD1      ILE  68 -12.293  -2.499   4.217
  537   2HD1  ILE  68          2HD1      ILE  68 -14.056  -2.486   4.282
  538   3HD1  ILE  68          3HD1      ILE  68 -13.126  -3.129   5.637
  539    H    ALA  69           H        ALA  69  -9.451   0.433   2.893
  540    HA   ALA  69           HA       ALA  69  -8.185   2.576   4.430
  541   1HB   ALA  69          1HB       ALA  69  -7.510   1.694   1.639
  542   2HB   ALA  69          2HB       ALA  69  -6.764   1.020   3.081
  543   3HB   ALA  69          3HB       ALA  69  -6.558   2.728   2.698
  544    H    TYR  70           H        TYR  70  -8.265   4.704   3.733
  545    HA   TYR  70           HA       TYR  70 -10.522   5.341   1.955
  546   1HB   TYR  70          2HB       TYR  70  -9.425   7.147   4.110
  547   2HB   TYR  70          1HB       TYR  70 -10.965   7.274   3.271
  548    HD1  TYR  70           1HD      TYR  70 -12.848   6.632   4.430
  549    HD2  TYR  70           2HD      TYR  70  -9.131   4.822   5.436
  550    HE1  TYR  70           1HE      TYR  70 -13.946   5.393   6.248
  551    HE2  TYR  70           2HE      TYR  70 -10.220   3.576   7.250
  552    HH   TYR  70           HH       TYR  70 -13.169   2.918   7.521
  553    H    VAL  71           H        VAL  71 -10.309   7.065   0.502
  554    HA   VAL  71           HA       VAL  71  -7.607   7.498  -0.425
  555    HB   VAL  71           HB       VAL  71  -9.949   8.928  -1.617
  556   1HG1  VAL  71          1HG1      VAL  71  -7.776   7.488  -3.080
  557   2HG1  VAL  71          2HG1      VAL  71  -7.463   9.057  -2.338
  558   3HG1  VAL  71          3HG1      VAL  71  -8.714   8.898  -3.571
  559   1HG2  VAL  71          1HG2      VAL  71  -9.759   6.050  -1.324
  560   2HG2  VAL  71          2HG2      VAL  71  -9.804   6.540  -3.017
  561   3HG2  VAL  71          3HG2      VAL  71 -11.091   7.038  -1.921
  562    H    GLY  72           H        GLY  72  -6.461   9.397  -0.383
  563   1HA   GLY  72          2HA       GLY  72  -6.607  11.876  -0.247
  564   2HA   GLY  72          1HA       GLY  72  -7.717  11.630   1.091
  565    H    LYS  73           H        LYS  73  -5.858   9.301   1.911
  566    HA   LYS  73           HA       LYS  73  -3.554  10.817   2.858
  567   1HB   LYS  73          2HB       LYS  73  -5.145  11.199   4.621
  568   2HB   LYS  73          1HB       LYS  73  -5.562   9.491   4.681
  569   1HG   LYS  73          2HG       LYS  73  -3.739   8.945   5.900
  570   2HG   LYS  73          1HG       LYS  73  -2.727  10.178   5.144
  571   1HD   LYS  73          2HD       LYS  73  -4.884  11.337   6.701
  572   2HD   LYS  73          1HD       LYS  73  -3.854  10.287   7.675
  573   1HE   LYS  73          2HE       LYS  73  -2.496  12.051   7.853
  574   2HE   LYS  73          1HE       LYS  73  -2.037  11.707   6.186
  575   1HZ   LYS  73          1HZ       LYS  73  -3.335  13.975   7.201
  576   2HZ   LYS  73          2HZ       LYS  73  -4.400  13.198   6.142
  577   3HZ   LYS  73          3HZ       LYS  73  -2.864  13.662   5.606
  578    HA   PRO  74           HA       PRO  74  -1.571   6.973   1.792
  579   1HB   PRO  74          2HB       PRO  74   0.450   7.852   3.783
  580   2HB   PRO  74          1HB       PRO  74   0.658   7.391   2.091
  581   1HG   PRO  74          2HG       PRO  74   0.798   9.948   2.846
  582   2HG   PRO  74          1HG       PRO  74   0.059   9.479   1.302
  583   1HD   PRO  74          2HD       PRO  74  -1.245  10.308   3.859
  584   2HD   PRO  74          1HD       PRO  74  -1.723  10.650   2.184
  585    H    LEU  75           H        LEU  75  -0.792   4.996   2.883
  586    HA   LEU  75           HA       LEU  75  -1.916   4.749   5.592
  587   1HB   LEU  75          2HB       LEU  75  -2.702   2.540   5.075
  588   2HB   LEU  75          1HB       LEU  75  -3.353   3.684   3.918
  589    HG   LEU  75           HG       LEU  75  -1.023   2.729   2.718
  590   1HD1  LEU  75          1HD1      LEU  75  -1.588   0.896   4.660
  591   2HD1  LEU  75          2HD1      LEU  75  -0.722   0.559   3.162
  592   3HD1  LEU  75          3HD1      LEU  75  -2.453   0.243   3.269
  593   1HD2  LEU  75          1HD2      LEU  75  -3.952   2.402   2.359
  594   2HD2  LEU  75          2HD2      LEU  75  -2.883   1.353   1.430
  595   3HD2  LEU  75          3HD2      LEU  75  -2.749   3.104   1.278
  596    H    VAL  76           H        VAL  76   0.591   3.602   3.344
  597    HA   VAL  76           HA       VAL  76   2.103   2.760   5.733
  598    HB   VAL  76           HB       VAL  76   1.214   0.729   4.689
  599   1HG1  VAL  76          1HG1      VAL  76   2.021   0.050   2.462
  600   2HG1  VAL  76          2HG1      VAL  76   2.758   1.640   2.265
  601   3HG1  VAL  76          3HG1      VAL  76   1.006   1.491   2.399
  602   1HG2  VAL  76          1HG2      VAL  76   3.091  -0.388   5.179
  603   2HG2  VAL  76          2HG2      VAL  76   3.788   1.198   5.498
  604   3HG2  VAL  76          3HG2      VAL  76   4.018   0.435   3.927
  605    H    ASP  77           H        ASP  77   4.302   3.053   5.693
  606    HA   ASP  77           HA       ASP  77   5.328   4.629   3.428
  607   1HB   ASP  77          2HB       ASP  77   6.574   4.540   6.171
  608   2HB   ASP  77          1HB       ASP  77   6.820   5.726   4.900
  609    H    ILE  78           H        ILE  78   7.039   3.916   2.299
  610    HA   ILE  78           HA       ILE  78   8.630   1.694   3.363
  611    HB   ILE  78           HB       ILE  78   7.751   1.612   0.503
  612   1HG1  ILE  78          2HG1      ILE  78   6.084  -0.197   1.583
  613   2HG1  ILE  78          1HG1      ILE  78   6.131   0.960   2.907
  614   1HG2  ILE  78          1HG2      ILE  78   8.059  -0.875   0.992
  615   2HG2  ILE  78          2HG2      ILE  78   8.827  -0.358   2.493
  616   3HG2  ILE  78          3HG2      ILE  78   9.507   0.131   0.941
  617   1HD1  ILE  78          1HD1      ILE  78   4.719   2.285   1.855
  618   2HD1  ILE  78          2HD1      ILE  78   4.565   1.060   0.595
  619   3HD1  ILE  78          3HD1      ILE  78   5.763   2.345   0.434
  620    H    GLU  79           H        GLU  79  10.737   1.496   2.452
  621    HA   GLU  79           HA       GLU  79  11.652   3.974   1.171
  622   1HB   GLU  79          2HB       GLU  79  13.041   1.809   2.733
  623   2HB   GLU  79          1HB       GLU  79  13.956   2.927   1.730
  624   1HG   GLU  79          2HG       GLU  79  13.097   4.804   3.008
  625   2HG   GLU  79          1HG       GLU  79  12.131   3.704   3.990
  626    H    THR  80           H        THR  80  11.741   3.915  -0.965
  627    HA   THR  80           HA       THR  80  13.004   1.637  -2.282
  628    HB   THR  80           HB       THR  80  11.227   1.837  -4.132
  629    HG1  THR  80           1HG      THR  80   9.853   3.396  -3.663
  630   1HG2  THR  80          1HG2      THR  80   9.684   0.278  -2.924
  631   2HG2  THR  80          2HG2      THR  80  10.582   0.618  -1.445
  632   3HG2  THR  80          3HG2      THR  80  11.388  -0.162  -2.805
  633    H    GLU  81           H        GLU  81  13.769   2.150  -4.451
  634    HA   GLU  81           HA       GLU  81  15.048   4.620  -4.603
  635   1HB   GLU  81          2HB       GLU  81  14.914   2.249  -6.168
  636   2HB   GLU  81          1HB       GLU  81  14.658   3.612  -7.249
  637   1HG   GLU  81          2HG       GLU  81  16.788   4.367  -5.621
  638   2HG   GLU  81          1HG       GLU  81  17.081   2.674  -6.015
  639    H    ALA  82           H        ALA  82  14.695   6.461  -5.882
  640    HA   ALA  82           HA       ALA  82  12.319   7.709  -5.829
  641   1HB   ALA  82          1HB       ALA  82  14.114   9.026  -6.470
  642   2HB   ALA  82          2HB       ALA  82  13.130   8.965  -7.933
  643   3HB   ALA  82          3HB       ALA  82  14.565   7.949  -7.791
  644    H    LEU  83           H        LEU  83  10.372   7.111  -6.481
  645    HA   LEU  83           HA       LEU  83  10.092   5.868  -9.139
  646   1HB   LEU  83          2HB       LEU  83   9.230   4.949  -6.583
  647   2HB   LEU  83          1HB       LEU  83   7.804   5.343  -7.524
  648    HG   LEU  83           HG       LEU  83   8.466   3.811  -9.273
  649   1HD1  LEU  83          1HD1      LEU  83  10.565   3.168  -9.601
  650   2HD1  LEU  83          2HD1      LEU  83  10.661   2.488  -7.977
  651   3HD1  LEU  83          3HD1      LEU  83  11.043   4.189  -8.244
  652   1HD2  LEU  83          1HD2      LEU  83   8.939   2.236  -6.784
  653   2HD2  LEU  83          2HD2      LEU  83   7.935   1.855  -8.184
  654   3HD2  LEU  83          3HD2      LEU  83   7.395   3.057  -7.011
  655    H    LYS  84           H        LYS  84   8.427   6.559 -10.463
  656    HA   LYS  84           HA       LYS  84   7.517   9.251  -9.994
  657   1HB   LYS  84          2HB       LYS  84   7.976   7.610 -12.250
  658   2HB   LYS  84          1HB       LYS  84   6.271   8.034 -12.278
  659   1HG   LYS  84          2HG       LYS  84   7.527  10.423 -11.692
  660   2HG   LYS  84          1HG       LYS  84   8.599   9.654 -12.865
  661   1HD   LYS  84          2HD       LYS  84   5.629  10.062 -13.219
  662   2HD   LYS  84          1HD       LYS  84   6.888  11.068 -13.938
  663   1HE   LYS  84          2HE       LYS  84   7.579   9.395 -15.385
  664   2HE   LYS  84          1HE       LYS  84   6.889   8.112 -14.391
  665   1HZ   LYS  84          1HZ       LYS  84   5.701   9.576 -16.526
  666   2HZ   LYS  84          2HZ       LYS  84   4.754   9.667 -15.127
  667   3HZ   LYS  84          3HZ       LYS  84   5.168   8.159 -15.770
  668    H    ASP  85           H        ASP  85   6.226   6.063  -9.666
  669    HA   ASP  85           HA       ASP  85   3.515   6.415  -9.943
  670   1HB   ASP  85          2HB       ASP  85   4.746   4.806  -7.707
  671   2HB   ASP  85          1HB       ASP  85   3.223   4.507  -8.541
  672    H    LEU  86           H        LEU  86   5.537   7.237  -7.158
  673    HA   LEU  86           HA       LEU  86   3.197   8.484  -5.886
  674   1HB   LEU  86          2HB       LEU  86   4.971   6.727  -4.814
  675   2HB   LEU  86          1HB       LEU  86   5.708   8.250  -4.358
  676    HG   LEU  86           HG       LEU  86   4.160   7.199  -2.656
  677   1HD1  LEU  86          1HD1      LEU  86   4.490   9.909  -3.446
  678   2HD1  LEU  86          2HD1      LEU  86   4.201   9.250  -1.835
  679   3HD1  LEU  86          3HD1      LEU  86   2.839   9.687  -2.866
  680   1HD2  LEU  86          1HD2      LEU  86   2.445   6.868  -4.716
  681   2HD2  LEU  86          2HD2      LEU  86   1.827   8.365  -4.017
  682   3HD2  LEU  86          3HD2      LEU  86   1.957   6.915  -3.021
  683    H    GLU  87           H        GLU  87   6.275   9.109  -7.319
  684    HA   GLU  87           HA       GLU  87   5.829  11.970  -7.002
  685   1HB   GLU  87          2HB       GLU  87   8.140  10.468  -5.865
  686   2HB   GLU  87          1HB       GLU  87   8.447  12.054  -6.559
  687   1HG   GLU  87          2HG       GLU  87   7.479  13.125  -4.852
  688   2HG   GLU  87          1HG       GLU  87   6.157  11.964  -4.742
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  17.787   9.458   3.056
    2   2H    MET   1          2HT       MET   1  17.194   7.881   3.207
    3   3H    MET   1          3HT       MET   1  18.857   8.171   3.310
    4    HA   MET   1           HA       MET   1  17.489   7.798   5.456
    5   1HB   MET   1          2HB       MET   1  19.027   9.498   6.585
    6   2HB   MET   1          1HB       MET   1  19.797   8.267   5.594
    7   1HG   MET   1          2HG       MET   1  20.900   9.969   4.680
    8   2HG   MET   1          1HG       MET   1  19.410  10.264   3.786
    9   1HE   MET   1          1HE       MET   1  22.072  12.212   5.439
   10   2HE   MET   1          2HE       MET   1  21.629  11.132   6.760
   11   3HE   MET   1          3HE       MET   1  21.368  12.869   6.916
   12    H    GLY   2           H        GLY   2  15.558   8.421   6.163
   13   1HA   GLY   2          2HA       GLY   2  14.100   9.929   7.204
   14   2HA   GLY   2          1HA       GLY   2  15.048  11.259   6.556
   15    H    GLN   3           H        GLN   3  14.346   8.978   4.160
   16    HA   GLN   3           HA       GLN   3  11.900  10.400   3.368
   17   1HB   GLN   3          2HB       GLN   3  14.015   9.621   1.378
   18   2HB   GLN   3          1HB       GLN   3  12.633  10.680   1.140
   19   1HG   GLN   3          2HG       GLN   3  13.692  12.263   2.774
   20   2HG   GLN   3          1HG       GLN   3  15.131  11.246   2.709
   21   1HE2  GLN   3          1HE2      GLN   3  15.746  10.714   0.325
   22   2HE2  GLN   3          2HE2      GLN   3  15.822  12.085  -0.724
   23    H    VAL   4           H        VAL   4  10.292   9.086   2.879
   24    HA   VAL   4           HA       VAL   4  10.855   6.424   1.802
   25    HB   VAL   4           HB       VAL   4   9.226   5.372   3.311
   26   1HG1  VAL   4          1HG1      VAL   4  11.055   4.832   4.439
   27   2HG1  VAL   4          2HG1      VAL   4  10.792   6.246   5.463
   28   3HG1  VAL   4          3HG1      VAL   4  11.816   6.371   4.030
   29   1HG2  VAL   4          1HG2      VAL   4   7.782   7.120   3.926
   30   2HG2  VAL   4          2HG2      VAL   4   9.109   8.122   4.515
   31   3HG2  VAL   4          3HG2      VAL   4   8.631   6.677   5.407
   32    H    VAL   5           H        VAL   5   9.205   5.547   0.543
   33    HA   VAL   5           HA       VAL   5   7.214   7.503  -0.341
   34    HB   VAL   5           HB       VAL   5   6.880   6.083  -2.289
   35   1HG1  VAL   5          1HG1      VAL   5   8.793   6.684  -3.392
   36   2HG1  VAL   5          2HG1      VAL   5   9.846   6.181  -2.070
   37   3HG1  VAL   5          3HG1      VAL   5   8.934   7.686  -1.948
   38   1HG2  VAL   5          1HG2      VAL   5   8.219   4.075  -2.661
   39   2HG2  VAL   5          2HG2      VAL   5   7.198   3.897  -1.237
   40   3HG2  VAL   5          3HG2      VAL   5   8.921   4.232  -1.051
   41    H    GLN   6           H        GLN   6   5.176   7.325   0.267
   42    HA   GLN   6           HA       GLN   6   4.363   4.879   1.642
   43   1HB   GLN   6          2HB       GLN   6   3.122   7.630   1.686
   44   2HB   GLN   6          1HB       GLN   6   2.607   6.256   2.655
   45   1HG   GLN   6          2HG       GLN   6   4.172   6.627   4.180
   46   2HG   GLN   6          1HG       GLN   6   5.432   6.795   2.962
   47   1HE2  GLN   6          1HE2      GLN   6   4.641   8.963   1.560
   48   2HE2  GLN   6          2HE2      GLN   6   4.622  10.363   2.571
   49    H    PHE   7           H        PHE   7   2.464   3.817   1.212
   50    HA   PHE   7           HA       PHE   7   1.357   4.316  -1.445
   51   1HB   PHE   7          2HB       PHE   7   2.062   2.063  -1.256
   52   2HB   PHE   7          1HB       PHE   7   1.399   1.904   0.366
   53    HD1  PHE   7           1HD      PHE   7  -0.482   0.640   0.571
   54    HD2  PHE   7           2HD      PHE   7   0.180   2.756  -3.058
   55    HE1  PHE   7           1HE      PHE   7  -2.557  -0.297  -0.347
   56    HE2  PHE   7           2HE      PHE   7  -1.895   1.822  -3.987
   57    HZ   PHE   7           HZ       PHE   7  -3.271   0.291  -2.633
   58    H    LYS   8           H        LYS   8  -0.644   5.033  -1.704
   59    HA   LYS   8           HA       LYS   8  -2.379   5.258   0.667
   60   1HB   LYS   8          2HB       LYS   8  -1.516   7.423   0.087
   61   2HB   LYS   8          1HB       LYS   8  -1.909   7.186  -1.607
   62   1HG   LYS   8          2HG       LYS   8  -4.328   7.111  -0.924
   63   2HG   LYS   8          1HG       LYS   8  -3.805   7.630   0.677
   64   1HD   LYS   8          2HD       LYS   8  -3.600   9.119  -1.929
   65   2HD   LYS   8          1HD       LYS   8  -4.430   9.607  -0.454
   66   1HE   LYS   8          2HE       LYS   8  -2.093   9.569   0.625
   67   2HE   LYS   8          1HE       LYS   8  -1.486   9.565  -1.031
   68   1HZ   LYS   8          1HZ       LYS   8  -3.181  11.636   0.249
   69   2HZ   LYS   8          2HZ       LYS   8  -2.828  11.604  -1.404
   70   3HZ   LYS   8          3HZ       LYS   8  -1.582  11.803  -0.278
   71    H    LEU   9           H        LEU   9  -4.471   4.645   0.469
   72    HA   LEU   9           HA       LEU   9  -5.333   2.861  -1.427
   73   1HB   LEU   9          2HB       LEU   9  -6.424   3.374   0.759
   74   2HB   LEU   9          1HB       LEU   9  -7.085   4.832   0.050
   75    HG   LEU   9           HG       LEU   9  -8.735   3.005   0.184
   76   1HD1  LEU   9          1HD1      LEU   9  -8.349   4.740  -1.865
   77   2HD1  LEU   9          2HD1      LEU   9  -9.755   3.699  -1.669
   78   3HD1  LEU   9          3HD1      LEU   9  -8.427   3.196  -2.715
   79   1HD2  LEU   9          1HD2      LEU   9  -8.115   0.937  -0.225
   80   2HD2  LEU   9          2HD2      LEU   9  -6.588   1.472  -0.936
   81   3HD2  LEU   9          3HD2      LEU   9  -8.036   1.353  -1.938
   82    H    SER  10           H        SER  10  -5.523   3.087  -3.559
   83    HA   SER  10           HA       SER  10  -6.751   5.541  -4.606
   84   1HB   SER  10          2HB       SER  10  -5.123   5.335  -6.566
   85   2HB   SER  10          1HB       SER  10  -4.454   5.919  -5.043
   86    HG   SER  10           HG       SER  10  -3.885   3.645  -6.441
   87    H    ASP  11           H        ASP  11  -8.674   4.677  -5.167
   88    HA   ASP  11           HA       ASP  11  -8.834   3.174  -7.554
   89   1HB   ASP  11          2HB       ASP  11 -10.348   1.433  -5.952
   90   2HB   ASP  11          1HB       ASP  11  -8.860   1.064  -6.812
   91    H    ILE  12           H        ILE  12 -10.474   4.233  -4.614
   92    HA   ILE  12           HA       ILE  12 -12.840   4.841  -6.259
   93    HB   ILE  12           HB       ILE  12 -13.987   4.938  -3.919
   94   1HG1  ILE  12          2HG1      ILE  12 -11.662   4.524  -2.829
   95   2HG1  ILE  12          1HG1      ILE  12 -13.069   3.691  -2.179
   96   1HG2  ILE  12          1HG2      ILE  12 -14.714   3.420  -5.581
   97   2HG2  ILE  12          2HG2      ILE  12 -14.475   2.478  -4.110
   98   3HG2  ILE  12          3HG2      ILE  12 -13.273   2.420  -5.399
   99   1HD1  ILE  12          1HD1      ILE  12 -11.357   2.359  -4.233
  100   2HD1  ILE  12          2HD1      ILE  12 -12.393   1.642  -3.001
  101   3HD1  ILE  12          3HD1      ILE  12 -10.863   2.388  -2.540
  102    H    GLY  13           H        GLY  13 -14.164   6.706  -5.294
  103   1HA   GLY  13          2HA       GLY  13 -12.337   8.950  -5.000
  104   2HA   GLY  13          1HA       GLY  13 -14.065   9.046  -5.294
  105    H    GLU  14           H        GLU  14 -13.060  10.769  -3.529
  106    HA   GLU  14           HA       GLU  14 -13.211   9.716  -0.839
  107   1HB   GLU  14          2HB       GLU  14 -12.409  12.238  -2.109
  108   2HB   GLU  14          1HB       GLU  14 -13.241  12.443  -0.574
  109   1HG   GLU  14          2HG       GLU  14 -11.463  11.795   0.577
  110   2HG   GLU  14          1HG       GLU  14 -11.253  10.359  -0.424
  111    H    GLY  15           H        GLY  15 -15.299   8.960  -0.583
  112   1HA   GLY  15          2HA       GLY  15 -17.217  10.409   0.586
  113   2HA   GLY  15          1HA       GLY  15 -17.546  10.728  -1.112
  114    H    ILE  16           H        ILE  16 -16.825   8.150  -2.091
  115    HA   ILE  16           HA       ILE  16 -19.266   6.748  -1.445
  116    HB   ILE  16           HB       ILE  16 -18.761   5.288  -3.273
  117   1HG1  ILE  16          2HG1      ILE  16 -16.302   6.394  -4.262
  118   2HG1  ILE  16          1HG1      ILE  16 -16.063   5.847  -2.603
  119   1HG2  ILE  16          1HG2      ILE  16 -18.675   8.170  -3.550
  120   2HG2  ILE  16          2HG2      ILE  16 -19.571   6.971  -4.481
  121   3HG2  ILE  16          3HG2      ILE  16 -17.901   7.346  -4.904
  122   1HD1  ILE  16          1HD1      ILE  16 -15.753   3.828  -3.448
  123   2HD1  ILE  16          2HD1      ILE  16 -16.347   4.317  -5.034
  124   3HD1  ILE  16          3HD1      ILE  16 -17.481   3.794  -3.789
  125    H    ARG  17           H        ARG  17 -18.659   4.123  -1.719
  126    HA   ARG  17           HA       ARG  17 -17.783   3.394   0.846
  127   1HB   ARG  17          2HB       ARG  17 -18.714   2.043  -1.558
  128   2HB   ARG  17          1HB       ARG  17 -17.467   1.123  -0.728
  129   1HG   ARG  17          2HG       ARG  17 -19.835   2.225   0.740
  130   2HG   ARG  17          1HG       ARG  17 -19.901   0.677  -0.106
  131   1HD   ARG  17          2HD       ARG  17 -17.698   1.255   1.837
  132   2HD   ARG  17          1HD       ARG  17 -19.279   0.727   2.412
  133    HE   ARG  17           HE       ARG  17 -17.294  -0.872   1.098
  134   1HH1  ARG  17          1HH1      ARG  17 -20.696  -0.510   1.742
  135   2HH1  ARG  17          2HH1      ARG  17 -21.053  -2.188   1.507
  136   1HH2  ARG  17          1HH2      ARG  17 -17.752  -3.087   0.783
  137   2HH2  ARG  17          2HH2      ARG  17 -19.379  -3.654   0.963
  138    H    GLU  18           H        GLU  18 -15.907   2.245   1.501
  139    HA   GLU  18           HA       GLU  18 -13.536   2.977  -0.060
  140   1HB   GLU  18          2HB       GLU  18 -13.970   2.301   2.840
  141   2HB   GLU  18          1HB       GLU  18 -12.359   2.320   2.132
  142   1HG   GLU  18          2HG       GLU  18 -12.361   4.465   2.760
  143   2HG   GLU  18          1HG       GLU  18 -13.314   4.707   1.295
  144    H    VAL  19           H        VAL  19 -11.643   1.271   0.272
  145    HA   VAL  19           HA       VAL  19 -12.877  -1.361  -0.275
  146    HB   VAL  19           HB       VAL  19 -11.821  -0.273  -2.259
  147   1HG1  VAL  19          1HG1      VAL  19  -9.953   0.837  -1.329
  148   2HG1  VAL  19          2HG1      VAL  19  -9.313  -0.442  -2.362
  149   3HG1  VAL  19          3HG1      VAL  19  -9.337  -0.651  -0.611
  150   1HG2  VAL  19          1HG2      VAL  19 -10.354  -2.793  -1.553
  151   2HG2  VAL  19          2HG2      VAL  19 -10.980  -2.275  -3.119
  152   3HG2  VAL  19          3HG2      VAL  19 -12.092  -2.788  -1.850
  153    H    THR  20           H        THR  20 -11.883  -3.237   0.417
  154    HA   THR  20           HA       THR  20 -10.150  -2.888   2.754
  155    HB   THR  20           HB       THR  20 -11.204  -5.571   2.058
  156    HG1  THR  20           1HG      THR  20 -13.267  -5.084   2.355
  157   1HG2  THR  20          1HG2      THR  20 -11.552  -5.707   4.465
  158   2HG2  THR  20          2HG2      THR  20 -11.141  -4.004   4.640
  159   3HG2  THR  20          3HG2      THR  20  -9.916  -5.154   4.114
  160    H    VAL  21           H        VAL  21  -8.417  -4.405   3.124
  161    HA   VAL  21           HA       VAL  21  -6.838  -4.814   0.740
  162    HB   VAL  21           HB       VAL  21  -6.226  -5.580   3.602
  163   1HG1  VAL  21          1HG1      VAL  21  -4.741  -6.873   2.438
  164   2HG1  VAL  21          2HG1      VAL  21  -3.826  -5.368   2.526
  165   3HG1  VAL  21          3HG1      VAL  21  -4.705  -5.780   1.054
  166   1HG2  VAL  21          1HG2      VAL  21  -6.221  -3.310   3.772
  167   2HG2  VAL  21          2HG2      VAL  21  -5.911  -3.071   2.052
  168   3HG2  VAL  21          3HG2      VAL  21  -4.593  -3.530   3.130
  169    H    LYS  22           H        LYS  22  -6.813  -6.607  -0.450
  170    HA   LYS  22           HA       LYS  22  -8.177  -8.980   0.553
  171   1HB   LYS  22          2HB       LYS  22  -7.817  -7.749  -2.020
  172   2HB   LYS  22          1HB       LYS  22  -7.271  -9.419  -2.083
  173   1HG   LYS  22          2HG       LYS  22  -9.985  -8.464  -1.192
  174   2HG   LYS  22          1HG       LYS  22  -9.597  -9.255  -2.721
  175   1HD   LYS  22          2HD       LYS  22  -9.334 -11.316  -1.745
  176   2HD   LYS  22          1HD       LYS  22  -8.882 -10.637  -0.180
  177   1HE   LYS  22          2HE       LYS  22 -11.041 -10.388   0.490
  178   2HE   LYS  22          1HE       LYS  22 -11.626 -10.088  -1.146
  179   1HZ   LYS  22          1HZ       LYS  22 -12.236 -12.194  -1.303
  180   2HZ   LYS  22          2HZ       LYS  22 -11.764 -12.455   0.299
  181   3HZ   LYS  22          3HZ       LYS  22 -10.668 -12.731  -0.960
  182    H    GLU  23           H        GLU  23  -4.975  -7.893  -0.337
  183    HA   GLU  23           HA       GLU  23  -3.913 -10.446   0.627
  184   1HB   GLU  23          2HB       GLU  23  -3.919  -9.662  -2.090
  185   2HB   GLU  23          1HB       GLU  23  -2.261  -9.520  -1.523
  186   1HG   GLU  23          2HG       GLU  23  -3.946 -11.985  -1.165
  187   2HG   GLU  23          1HG       GLU  23  -2.854 -11.724  -2.525
  188    H    TRP  24           H        TRP  24  -2.558 -10.063   2.215
  189    HA   TRP  24           HA       TRP  24  -0.936  -7.599   2.169
  190   1HB   TRP  24          2HB       TRP  24  -2.490  -8.909   4.310
  191   2HB   TRP  24          1HB       TRP  24  -0.875  -8.395   4.783
  192    HD1  TRP  24           HD       TRP  24  -4.159  -7.159   5.059
  193    HE1  TRP  24           1HE      TRP  24  -4.280  -4.588   5.080
  194    HE3  TRP  24           3HE      TRP  24   0.475  -6.127   3.181
  195    HZ2  TRP  24           2HZ      TRP  24  -2.622  -2.410   4.386
  196    HZ3  TRP  24           3HZ      TRP  24   1.131  -3.775   2.889
  197    HH2  TRP  24           HH       TRP  24  -0.386  -1.955   3.477
  198    H    TYR  25           H        TYR  25   1.214  -7.928   1.957
  199    HA   TYR  25           HA       TYR  25   2.285 -10.520   2.867
  200   1HB   TYR  25          2HB       TYR  25   2.451  -9.266   0.191
  201   2HB   TYR  25          1HB       TYR  25   3.928 -10.008   0.794
  202    HD1  TYR  25           1HD      TYR  25   1.703 -10.703  -1.482
  203    HD2  TYR  25           2HD      TYR  25   2.865 -12.327   2.276
  204    HE1  TYR  25           1HE      TYR  25   0.878 -12.910  -2.187
  205    HE2  TYR  25           2HE      TYR  25   2.043 -14.538   1.580
  206    HH   TYR  25           HH       TYR  25   0.163 -14.985  -1.275
  207    H    VAL  26           H        VAL  26   2.344  -7.869   4.167
  208    HA   VAL  26           HA       VAL  26   5.189  -7.832   4.688
  209    HB   VAL  26           HB       VAL  26   5.596  -5.530   4.207
  210   1HG1  VAL  26          1HG1      VAL  26   5.799  -7.064   2.321
  211   2HG1  VAL  26          2HG1      VAL  26   5.300  -5.457   1.797
  212   3HG1  VAL  26          3HG1      VAL  26   4.118  -6.756   1.886
  213   1HG2  VAL  26          1HG2      VAL  26   3.836  -4.164   4.577
  214   2HG2  VAL  26          2HG2      VAL  26   2.658  -5.376   4.075
  215   3HG2  VAL  26          3HG2      VAL  26   3.515  -4.425   2.863
  216    H    LYS  27           H        LYS  27   5.738  -6.263   6.467
  217    HA   LYS  27           HA       LYS  27   3.493  -5.576   8.194
  218   1HB   LYS  27          2HB       LYS  27   5.097  -7.898   8.601
  219   2HB   LYS  27          1HB       LYS  27   5.471  -6.745   9.875
  220   1HG   LYS  27          2HG       LYS  27   3.718  -7.684  10.904
  221   2HG   LYS  27          1HG       LYS  27   2.773  -6.613   9.867
  222   1HD   LYS  27          2HD       LYS  27   2.594  -8.428   8.204
  223   2HD   LYS  27          1HD       LYS  27   3.478  -9.493   9.299
  224   1HE   LYS  27          2HE       LYS  27   1.098  -8.121  10.401
  225   2HE   LYS  27          1HE       LYS  27   0.803  -9.381   9.203
  226   1HZ   LYS  27          1HZ       LYS  27   1.981 -10.951  10.546
  227   2HZ   LYS  27          2HZ       LYS  27   0.819 -10.198  11.517
  228   3HZ   LYS  27          3HZ       LYS  27   2.446  -9.753  11.648
  229    H    GLU  28           H        GLU  28   4.209  -4.296  10.101
  230    HA   GLU  28           HA       GLU  28   5.730  -2.093   9.348
  231   1HB   GLU  28          2HB       GLU  28   5.486  -2.899  12.233
  232   2HB   GLU  28          1HB       GLU  28   5.449  -1.288  11.534
  233   1HG   GLU  28          2HG       GLU  28   3.245  -1.370  11.675
  234   2HG   GLU  28          1HG       GLU  28   3.272  -2.594  10.406
  235    H    GLY  29           H        GLY  29   7.852  -1.516   9.519
  236   1HA   GLY  29          2HA       GLY  29  10.105  -1.694   9.969
  237   2HA   GLY  29          1HA       GLY  29   9.708  -2.880  11.202
  238    H    ASP  30           H        ASP  30   8.318  -3.863   8.338
  239    HA   ASP  30           HA       ASP  30  10.427  -5.841   7.951
  240   1HB   ASP  30          2HB       ASP  30   7.739  -6.138   8.110
  241   2HB   ASP  30          1HB       ASP  30   7.940  -6.022   6.364
  242    H    THR  31           H        THR  31  11.205  -6.395   5.869
  243    HA   THR  31           HA       THR  31  11.243  -4.106   4.035
  244    HB   THR  31           HB       THR  31  13.092  -6.405   3.641
  245    HG1  THR  31           1HG      THR  31  13.617  -4.405   5.594
  246   1HG2  THR  31          1HG2      THR  31  14.642  -4.516   3.111
  247   2HG2  THR  31          2HG2      THR  31  13.305  -3.404   3.409
  248   3HG2  THR  31          3HG2      THR  31  13.203  -4.572   2.092
  249    H    VAL  32           H        VAL  32  10.872  -4.354   1.850
  250    HA   VAL  32           HA       VAL  32   9.368  -6.766   1.118
  251    HB   VAL  32           HB       VAL  32   8.845  -4.986  -0.897
  252   1HG1  VAL  32          1HG1      VAL  32   6.913  -4.629   1.169
  253   2HG1  VAL  32          2HG1      VAL  32   7.473  -6.301   1.168
  254   3HG1  VAL  32          3HG1      VAL  32   6.804  -5.593  -0.303
  255   1HG2  VAL  32          1HG2      VAL  32   8.942  -3.393   1.664
  256   2HG2  VAL  32          2HG2      VAL  32   8.206  -2.864   0.153
  257   3HG2  VAL  32          3HG2      VAL  32   9.946  -3.134   0.236
  258    H    SER  33           H        SER  33   9.513  -7.448  -1.160
  259    HA   SER  33           HA       SER  33  12.148  -6.891  -2.343
  260   1HB   SER  33          2HB       SER  33  12.204  -9.071  -1.177
  261   2HB   SER  33          1HB       SER  33  10.837  -9.615  -2.149
  262    HG   SER  33           HG       SER  33  12.256 -10.177  -3.576
  263    H    GLN  34           H        GLN  34  12.155  -8.010  -4.658
  264    HA   GLN  34           HA       GLN  34  10.244  -6.602  -6.194
  265   1HB   GLN  34          2HB       GLN  34  12.363  -8.624  -6.847
  266   2HB   GLN  34          1HB       GLN  34  11.251  -8.060  -8.087
  267   1HG   GLN  34          2HG       GLN  34  12.259  -6.072  -8.268
  268   2HG   GLN  34          1HG       GLN  34  12.507  -5.925  -6.528
  269   1HE2  GLN  34          1HE2      GLN  34  14.243  -7.299  -5.614
  270   2HE2  GLN  34          2HE2      GLN  34  15.676  -7.521  -6.552
  271    H    PHE  35           H        PHE  35  10.239  -9.753  -4.811
  272    HA   PHE  35           HA       PHE  35   7.996 -10.566  -6.519
  273   1HB   PHE  35          2HB       PHE  35   9.722 -12.191  -4.644
  274   2HB   PHE  35          1HB       PHE  35   8.389 -12.834  -5.596
  275    HD1  PHE  35           1HD      PHE  35  11.288 -13.748  -5.636
  276    HD2  PHE  35           2HD      PHE  35   9.136 -10.969  -8.037
  277    HE1  PHE  35           1HE      PHE  35  12.835 -14.165  -7.502
  278    HE2  PHE  35           2HE      PHE  35  10.679 -11.382  -9.906
  279    HZ   PHE  35           HZ       PHE  35  12.531 -12.983  -9.640
  280    H    ASP  36           H        ASP  36   8.741  -9.463  -3.361
  281    HA   ASP  36           HA       ASP  36   6.255 -10.528  -2.252
  282   1HB   ASP  36          2HB       ASP  36   8.736  -9.340  -1.093
  283   2HB   ASP  36          1HB       ASP  36   7.240  -9.218  -0.172
  284    H    SER  37           H        SER  37   4.546  -9.360  -2.892
  285    HA   SER  37           HA       SER  37   4.605  -6.563  -3.386
  286   1HB   SER  37          2HB       SER  37   2.232  -8.386  -2.912
  287   2HB   SER  37          1HB       SER  37   2.157  -6.758  -3.586
  288    HG   SER  37           HG       SER  37   2.245  -8.702  -5.064
  289    H    ILE  38           H        ILE  38   3.315  -4.937  -2.224
  290    HA   ILE  38           HA       ILE  38   3.702  -5.233   0.649
  291    HB   ILE  38           HB       ILE  38   2.899  -2.789  -0.931
  292   1HG1  ILE  38          2HG1      ILE  38   5.545  -3.864   0.019
  293   2HG1  ILE  38          1HG1      ILE  38   5.098  -3.321  -1.593
  294   1HG2  ILE  38          1HG2      ILE  38   3.977  -2.818   1.871
  295   2HG2  ILE  38          2HG2      ILE  38   2.250  -2.952   1.549
  296   3HG2  ILE  38          3HG2      ILE  38   3.134  -1.523   1.022
  297   1HD1  ILE  38          1HD1      ILE  38   4.778  -1.056  -0.077
  298   2HD1  ILE  38          2HD1      ILE  38   6.181  -1.450  -1.072
  299   3HD1  ILE  38          3HD1      ILE  38   6.186  -1.831   0.651
  300    H    CYS  39           H        CYS  39   1.121  -3.487  -1.056
  301    HA   CYS  39           HA       CYS  39  -0.834  -4.944   0.598
  302   1HB   CYS  39          2HB       CYS  39  -0.449  -2.527   1.244
  303   2HB   CYS  39          1HB       CYS  39  -1.120  -2.082  -0.322
  304    HG   CYS  39           HG       CYS  39  -3.339  -4.041   0.836
  305    H    GLU  40           H        GLU  40  -2.781  -5.518  -0.353
  306    HA   GLU  40           HA       GLU  40  -3.160  -4.876  -3.182
  307   1HB   GLU  40          2HB       GLU  40  -3.384  -7.706  -2.160
  308   2HB   GLU  40          1HB       GLU  40  -3.485  -7.155  -3.827
  309   1HG   GLU  40          2HG       GLU  40  -1.007  -6.267  -2.993
  310   2HG   GLU  40          1HG       GLU  40  -1.167  -7.852  -2.237
  311    H    VAL  41           H        VAL  41  -5.192  -4.320  -3.596
  312    HA   VAL  41           HA       VAL  41  -7.315  -5.283  -1.793
  313    HB   VAL  41           HB       VAL  41  -8.438  -3.142  -1.930
  314   1HG1  VAL  41          1HG1      VAL  41  -5.708  -3.383  -0.869
  315   2HG1  VAL  41          2HG1      VAL  41  -7.204  -2.906  -0.065
  316   3HG1  VAL  41          3HG1      VAL  41  -6.308  -1.731  -1.029
  317   1HG2  VAL  41          1HG2      VAL  41  -7.552  -1.241  -3.076
  318   2HG2  VAL  41          2HG2      VAL  41  -7.607  -2.580  -4.222
  319   3HG2  VAL  41          3HG2      VAL  41  -6.074  -2.109  -3.490
  320    H    GLN  42           H        GLN  42  -9.354  -5.643  -2.723
  321    HA   GLN  42           HA       GLN  42  -9.444  -5.519  -5.665
  322   1HB   GLN  42          2HB       GLN  42 -10.224  -7.831  -3.891
  323   2HB   GLN  42          1HB       GLN  42 -10.746  -7.691  -5.564
  324   1HG   GLN  42          2HG       GLN  42  -8.039  -7.321  -5.754
  325   2HG   GLN  42          1HG       GLN  42  -8.179  -8.511  -4.461
  326   1HE2  GLN  42          1HE2      GLN  42  -6.999  -9.059  -6.923
  327   2HE2  GLN  42          2HE2      GLN  42  -7.969 -10.220  -7.757
  328    H    SER  43           H        SER  43 -11.121  -4.405  -6.387
  329    HA   SER  43           HA       SER  43 -13.448  -4.058  -4.622
  330   1HB   SER  43          2HB       SER  43 -11.888  -2.134  -5.830
  331   2HB   SER  43          1HB       SER  43 -13.264  -2.257  -6.926
  332    HG   SER  43           HG       SER  43 -13.615  -2.032  -4.135
  333    H    ASP  44           H        ASP  44 -15.551  -4.181  -5.490
  334    HA   ASP  44           HA       ASP  44 -16.083  -6.280  -7.191
  335   1HB   ASP  44          2HB       ASP  44 -18.363  -5.501  -7.269
  336   2HB   ASP  44          1HB       ASP  44 -17.724  -5.175  -5.660
  337    H    LYS  45           H        LYS  45 -15.353  -2.967  -7.975
  338    HA   LYS  45           HA       LYS  45 -16.193  -3.190 -10.724
  339   1HB   LYS  45          2HB       LYS  45 -14.424  -1.056  -9.534
  340   2HB   LYS  45          1HB       LYS  45 -15.417  -0.947 -10.981
  341   1HG   LYS  45          2HG       LYS  45 -17.431  -1.166  -9.551
  342   2HG   LYS  45          1HG       LYS  45 -16.380  -1.115  -8.134
  343   1HD   LYS  45          2HD       LYS  45 -16.064   1.053 -10.130
  344   2HD   LYS  45          1HD       LYS  45 -17.536   1.065  -9.158
  345   1HE   LYS  45          2HE       LYS  45 -14.842   0.746  -7.883
  346   2HE   LYS  45          1HE       LYS  45 -15.469   2.342  -8.293
  347   1HZ   LYS  45          1HZ       LYS  45 -17.544   1.183  -7.000
  348   2HZ   LYS  45          2HZ       LYS  45 -16.432   2.248  -6.300
  349   3HZ   LYS  45          3HZ       LYS  45 -16.212   0.577  -6.150
  350    H    ALA  46           H        ALA  46 -13.048  -2.782  -9.096
  351    HA   ALA  46           HA       ALA  46 -11.803  -4.469 -11.117
  352   1HB   ALA  46          1HB       ALA  46 -10.412  -2.926 -12.037
  353   2HB   ALA  46          2HB       ALA  46 -10.366  -1.934 -10.579
  354   3HB   ALA  46          3HB       ALA  46 -11.764  -1.863 -11.651
  355    H    SER  47           H        SER  47  -9.590  -5.087 -10.536
  356    HA   SER  47           HA       SER  47  -9.280  -5.191  -7.620
  357   1HB   SER  47          2HB       SER  47  -7.881  -6.905  -9.681
  358   2HB   SER  47          1HB       SER  47  -7.973  -7.182  -7.942
  359    HG   SER  47           HG       SER  47  -9.676  -7.960  -9.848
  360    H    VAL  48           H        VAL  48  -7.522  -4.383  -6.603
  361    HA   VAL  48           HA       VAL  48  -5.469  -3.115  -8.298
  362    HB   VAL  48           HB       VAL  48  -5.930  -2.256  -5.466
  363   1HG1  VAL  48          1HG1      VAL  48  -5.212  -0.538  -7.810
  364   2HG1  VAL  48          2HG1      VAL  48  -3.996  -1.534  -7.011
  365   3HG1  VAL  48          3HG1      VAL  48  -4.858  -0.295  -6.100
  366   1HG2  VAL  48          1HG2      VAL  48  -7.735  -1.779  -7.768
  367   2HG2  VAL  48          2HG2      VAL  48  -7.368  -0.399  -6.733
  368   3HG2  VAL  48          3HG2      VAL  48  -8.092  -1.851  -6.042
  369    H    THR  49           H        THR  49  -3.376  -3.605  -7.975
  370    HA   THR  49           HA       THR  49  -2.636  -5.142  -5.585
  371    HB   THR  49           HB       THR  49  -1.289  -6.687  -6.897
  372    HG1  THR  49           1HG      THR  49  -0.746  -6.044  -8.834
  373   1HG2  THR  49          1HG2      THR  49  -3.037  -8.057  -7.167
  374   2HG2  THR  49          2HG2      THR  49  -3.717  -7.050  -8.446
  375   3HG2  THR  49          3HG2      THR  49  -4.060  -6.680  -6.756
  376    H    ILE  50           H        ILE  50  -0.883  -4.329  -4.620
  377    HA   ILE  50           HA       ILE  50   0.720  -2.379  -6.105
  378    HB   ILE  50           HB       ILE  50   0.692  -2.905  -3.134
  379   1HG1  ILE  50          2HG1      ILE  50  -1.490  -2.092  -3.974
  380   2HG1  ILE  50          1HG1      ILE  50  -0.686  -0.902  -2.954
  381   1HG2  ILE  50          1HG2      ILE  50   2.752  -1.899  -3.764
  382   2HG2  ILE  50          2HG2      ILE  50   1.745  -0.626  -3.074
  383   3HG2  ILE  50          3HG2      ILE  50   1.939  -0.748  -4.823
  384   1HD1  ILE  50          1HD1      ILE  50  -0.531  -0.846  -5.950
  385   2HD1  ILE  50          2HD1      ILE  50  -0.102   0.428  -4.809
  386   3HD1  ILE  50          3HD1      ILE  50  -1.792  -0.023  -5.031
  387    H    THR  51           H        THR  51   2.358  -3.301  -7.127
  388    HA   THR  51           HA       THR  51   3.779  -5.561  -6.005
  389    HB   THR  51           HB       THR  51   5.197  -5.307  -8.101
  390    HG1  THR  51           1HG      THR  51   4.767  -3.171  -8.642
  391   1HG2  THR  51          1HG2      THR  51   2.565  -6.327  -7.742
  392   2HG2  THR  51          2HG2      THR  51   3.819  -6.891  -8.846
  393   3HG2  THR  51          3HG2      THR  51   2.676  -5.654  -9.368
  394    H    SER  52           H        SER  52   6.333  -5.309  -6.493
  395    HA   SER  52           HA       SER  52   7.139  -2.919  -4.978
  396   1HB   SER  52          2HB       SER  52   8.961  -5.255  -5.086
  397   2HB   SER  52          1HB       SER  52   8.587  -4.175  -3.744
  398    HG   SER  52           HG       SER  52   7.616  -6.590  -4.205
  399    H    ARG  53           H        ARG  53   8.641  -5.271  -7.216
  400    HA   ARG  53           HA       ARG  53   9.917  -4.959  -9.081
  401   1HB   ARG  53          2HB       ARG  53   9.377  -3.216 -10.399
  402   2HB   ARG  53          1HB       ARG  53   8.267  -2.752  -9.121
  403   1HG   ARG  53          2HG       ARG  53  10.346  -1.457  -8.194
  404   2HG   ARG  53          1HG       ARG  53  10.900  -1.578  -9.867
  405   1HD   ARG  53          2HD       ARG  53   8.222  -0.811 -10.028
  406   2HD   ARG  53          1HD       ARG  53   8.899   0.143  -8.710
  407    HE   ARG  53           HE       ARG  53  10.168   1.299 -10.233
  408   1HH1  ARG  53          1HH1      ARG  53   8.846  -1.546 -11.747
  409   2HH1  ARG  53          2HH1      ARG  53   9.322  -1.075 -13.345
  410   1HH2  ARG  53          1HH2      ARG  53  10.800   1.928 -12.334
  411   2HH2  ARG  53          2HH2      ARG  53  10.433   0.899 -13.678
  412    H    TYR  54           H        TYR  54  10.610  -4.077  -6.048
  413    HA   TYR  54           HA       TYR  54  13.392  -4.187  -6.329
  414   1HB   TYR  54          2HB       TYR  54  12.141  -1.485  -6.252
  415   2HB   TYR  54          1HB       TYR  54  13.568  -1.734  -5.251
  416    HD1  TYR  54           1HD      TYR  54  12.762  -0.241  -8.098
  417    HD2  TYR  54           2HD      TYR  54  15.271  -3.436  -6.838
  418    HE1  TYR  54           1HE      TYR  54  14.196   0.118 -10.064
  419    HE2  TYR  54           2HE      TYR  54  16.712  -3.087  -8.798
  420    HH   TYR  54           HH       TYR  54  15.857  -0.801 -11.328
  421    H    ASP  55           H        ASP  55  14.427  -3.568  -4.088
  422    HA   ASP  55           HA       ASP  55  12.587  -4.642  -2.087
  423   1HB   ASP  55          2HB       ASP  55  14.504  -5.264  -0.796
  424   2HB   ASP  55          1HB       ASP  55  14.800  -5.758  -2.461
  425    H    GLY  56           H        GLY  56  11.703  -3.402  -0.606
  426   1HA   GLY  56          2HA       GLY  56  13.061  -0.886   0.114
  427   2HA   GLY  56          1HA       GLY  56  11.335  -0.924  -0.223
  428    H    VAL  57           H        VAL  57  12.250   0.070   2.166
  429    HA   VAL  57           HA       VAL  57  11.763  -2.103   4.094
  430    HB   VAL  57           HB       VAL  57  12.728   0.627   4.878
  431   1HG1  VAL  57          1HG1      VAL  57  12.398  -0.442   6.837
  432   2HG1  VAL  57          2HG1      VAL  57  13.977  -1.143   6.478
  433   3HG1  VAL  57          3HG1      VAL  57  12.506  -2.042   6.105
  434   1HG2  VAL  57          1HG2      VAL  57  15.005   0.006   4.559
  435   2HG2  VAL  57          2HG2      VAL  57  14.172  -0.287   3.032
  436   3HG2  VAL  57          3HG2      VAL  57  14.557  -1.637   4.099
  437    H    ILE  58           H        ILE  58   9.836  -2.239   5.026
  438    HA   ILE  58           HA       ILE  58   8.048   0.092   4.993
  439    HB   ILE  58           HB       ILE  58   7.320  -2.762   5.679
  440   1HG1  ILE  58          2HG1      ILE  58   6.803  -1.369   3.058
  441   2HG1  ILE  58          1HG1      ILE  58   8.244  -2.348   3.319
  442   1HG2  ILE  58          1HG2      ILE  58   5.043  -1.758   4.848
  443   2HG2  ILE  58          2HG2      ILE  58   5.797  -0.228   5.301
  444   3HG2  ILE  58          3HG2      ILE  58   5.588  -1.499   6.506
  445   1HD1  ILE  58          1HD1      ILE  58   5.665  -3.610   3.981
  446   2HD1  ILE  58          2HD1      ILE  58   7.099  -4.286   3.209
  447   3HD1  ILE  58          3HD1      ILE  58   5.977  -3.296   2.275
  448    H    LYS  59           H        LYS  59   7.579   1.163   6.800
  449    HA   LYS  59           HA       LYS  59   8.754   0.190   9.292
  450   1HB   LYS  59          2HB       LYS  59   9.363   2.427   8.464
  451   2HB   LYS  59          1HB       LYS  59   7.685   2.928   8.620
  452   1HG   LYS  59          2HG       LYS  59   7.940   2.230  11.089
  453   2HG   LYS  59          1HG       LYS  59   9.673   2.306  10.765
  454   1HD   LYS  59          2HD       LYS  59   9.246   4.643   9.858
  455   2HD   LYS  59          1HD       LYS  59   7.644   4.520  10.587
  456   1HE   LYS  59          2HE       LYS  59   9.301   3.731  12.628
  457   2HE   LYS  59          1HE       LYS  59  10.244   4.989  11.830
  458   1HZ   LYS  59          1HZ       LYS  59   8.782   6.589  12.423
  459   2HZ   LYS  59          2HZ       LYS  59   8.442   5.514  13.684
  460   3HZ   LYS  59          3HZ       LYS  59   7.432   5.573  12.329
  461    H    LYS  60           H        LYS  60   5.562   1.007   7.994
  462    HA   LYS  60           HA       LYS  60   4.376  -0.288  10.263
  463   1HB   LYS  60          2HB       LYS  60   3.325   1.495  11.328
  464   2HB   LYS  60          1HB       LYS  60   4.937   2.107  10.996
  465   1HG   LYS  60          2HG       LYS  60   2.483   2.693   9.349
  466   2HG   LYS  60          1HG       LYS  60   3.188   3.766  10.559
  467   1HD   LYS  60          2HD       LYS  60   4.718   2.748   8.174
  468   2HD   LYS  60          1HD       LYS  60   3.797   4.252   8.157
  469   1HE   LYS  60          2HE       LYS  60   5.926   3.662  10.198
  470   2HE   LYS  60          1HE       LYS  60   6.268   4.460   8.664
  471   1HZ   LYS  60          1HZ       LYS  60   4.524   5.432  10.855
  472   2HZ   LYS  60          2HZ       LYS  60   4.549   6.134   9.317
  473   3HZ   LYS  60          3HZ       LYS  60   5.945   6.143  10.271
  474    H    LEU  61           H        LEU  61   2.247  -0.809  10.062
  475    HA   LEU  61           HA       LEU  61   0.807   0.025   7.657
  476   1HB   LEU  61          2HB       LEU  61   1.129  -2.850   8.533
  477   2HB   LEU  61          1HB       LEU  61   0.117  -2.291   7.213
  478    HG   LEU  61           HG       LEU  61   2.759  -1.338   6.736
  479   1HD1  LEU  61          1HD1      LEU  61   2.944  -4.273   6.744
  480   2HD1  LEU  61          2HD1      LEU  61   3.024  -3.500   8.327
  481   3HD1  LEU  61          3HD1      LEU  61   4.175  -3.052   7.068
  482   1HD2  LEU  61          1HD2      LEU  61   1.355  -3.606   5.353
  483   2HD2  LEU  61          2HD2      LEU  61   2.497  -2.446   4.672
  484   3HD2  LEU  61          3HD2      LEU  61   0.881  -1.920   5.142
  485    H    TYR  62           H        TYR  62  -1.223   0.635   8.187
  486    HA   TYR  62           HA       TYR  62  -2.158   0.004  10.883
  487   1HB   TYR  62          2HB       TYR  62  -2.021   2.376   9.783
  488   2HB   TYR  62          1HB       TYR  62  -3.563   1.920   9.067
  489    HD1  TYR  62           1HD      TYR  62  -1.834   2.876  12.123
  490    HD2  TYR  62           2HD      TYR  62  -5.529   1.529  10.501
  491    HE1  TYR  62           1HE      TYR  62  -2.979   3.544  14.193
  492    HE2  TYR  62           2HE      TYR  62  -6.684   2.194  12.568
  493    HH   TYR  62           HH       TYR  62  -5.954   2.511  15.065
  494    H    TYR  63           H        TYR  63  -3.396  -0.103   7.539
  495    HA   TYR  63           HA       TYR  63  -5.774  -1.496   8.481
  496   1HB   TYR  63          2HB       TYR  63  -5.219  -0.953   5.588
  497   2HB   TYR  63          1HB       TYR  63  -6.758  -1.008   6.433
  498    HD1  TYR  63           1HD      TYR  63  -5.412   1.168   4.546
  499    HD2  TYR  63           2HD      TYR  63  -6.013   0.810   8.742
  500    HE1  TYR  63           1HE      TYR  63  -5.388   3.619   4.753
  501    HE2  TYR  63           2HE      TYR  63  -5.991   3.259   8.961
  502    HH   TYR  63           HH       TYR  63  -5.834   5.362   6.135
  503    H    ASN  64           H        ASN  64  -6.190  -3.595   8.260
  504    HA   ASN  64           HA       ASN  64  -4.152  -5.282   6.994
  505   1HB   ASN  64          2HB       ASN  64  -6.298  -6.066   8.974
  506   2HB   ASN  64          1HB       ASN  64  -4.981  -7.088   8.400
  507   1HD2  ASN  64          1HD2      ASN  64  -3.147  -7.099   9.518
  508   2HD2  ASN  64          2HD2      ASN  64  -2.728  -5.987  10.773
  509    H    LEU  65           H        LEU  65  -5.519  -7.587   6.682
  510    HA   LEU  65           HA       LEU  65  -6.698  -7.377   4.202
  511   1HB   LEU  65          2HB       LEU  65  -6.541  -9.443   6.324
  512   2HB   LEU  65          1HB       LEU  65  -7.682  -9.704   5.026
  513    HG   LEU  65           HG       LEU  65  -4.885  -8.997   4.303
  514   1HD1  LEU  65          1HD1      LEU  65  -5.357 -11.056   6.095
  515   2HD1  LEU  65          2HD1      LEU  65  -3.923 -10.839   5.091
  516   3HD1  LEU  65          3HD1      LEU  65  -5.248 -11.858   4.528
  517   1HD2  LEU  65          1HD2      LEU  65  -6.975  -9.454   2.775
  518   2HD2  LEU  65          2HD2      LEU  65  -6.531 -11.139   3.047
  519   3HD2  LEU  65          3HD2      LEU  65  -5.372 -10.028   2.316
  520    H    ASP  66           H        ASP  66  -8.129  -6.897   7.319
  521    HA   ASP  66           HA       ASP  66 -10.831  -7.128   6.207
  522   1HB   ASP  66          2HB       ASP  66  -9.754  -7.015   9.011
  523   2HB   ASP  66          1HB       ASP  66 -11.462  -6.747   8.679
  524    H    ASP  67           H        ASP  67  -8.549  -4.768   7.344
  525    HA   ASP  67           HA       ASP  67 -10.416  -2.676   7.817
  526   1HB   ASP  67          2HB       ASP  67  -7.452  -2.609   7.277
  527   2HB   ASP  67          1HB       ASP  67  -8.398  -1.197   7.721
  528    H    ILE  68           H        ILE  68 -10.863  -0.856   6.631
  529    HA   ILE  68           HA       ILE  68 -10.525  -1.122   3.715
  530    HB   ILE  68           HB       ILE  68 -12.501   0.789   4.837
  531   1HG1  ILE  68          2HG1      ILE  68 -12.880  -1.272   6.173
  532   2HG1  ILE  68          1HG1      ILE  68 -14.229  -0.894   5.106
  533   1HG2  ILE  68          1HG2      ILE  68 -11.912   0.390   2.393
  534   2HG2  ILE  68          2HG2      ILE  68 -13.626   0.412   2.819
  535   3HG2  ILE  68          3HG2      ILE  68 -12.808  -1.123   2.549
  536   1HD1  ILE  68          1HD1      ILE  68 -12.274  -2.654   3.881
  537   2HD1  ILE  68          2HD1      ILE  68 -14.025  -2.814   4.005
  538   3HD1  ILE  68          3HD1      ILE  68 -12.995  -3.326   5.343
  539    H    ALA  69           H        ALA  69  -9.492   0.412   2.633
  540    HA   ALA  69           HA       ALA  69  -8.484   2.683   4.180
  541   1HB   ALA  69          1HB       ALA  69  -6.917   1.114   2.949
  542   2HB   ALA  69          2HB       ALA  69  -6.704   2.838   2.644
  543   3HB   ALA  69          3HB       ALA  69  -7.533   1.828   1.460
  544    H    TYR  70           H        TYR  70  -8.526   4.786   3.309
  545    HA   TYR  70           HA       TYR  70 -10.598   5.225   1.261
  546   1HB   TYR  70          2HB       TYR  70 -10.321   7.556   2.889
  547   2HB   TYR  70          1HB       TYR  70 -11.736   6.537   2.673
  548    HD1  TYR  70           1HD      TYR  70  -8.538   6.630   4.608
  549    HD2  TYR  70           2HD      TYR  70 -12.639   5.503   4.540
  550    HE1  TYR  70           1HE      TYR  70  -8.381   5.933   6.961
  551    HE2  TYR  70           2HE      TYR  70 -12.495   4.805   6.891
  552    HH   TYR  70           HH       TYR  70  -9.641   4.292   8.485
  553    H    VAL  71           H        VAL  71 -10.172   6.719  -0.319
  554    HA   VAL  71           HA       VAL  71  -7.429   7.300  -0.828
  555    HB   VAL  71           HB       VAL  71  -9.062   6.848  -2.629
  556   1HG1  VAL  71          1HG1      VAL  71 -10.561   8.699  -3.338
  557   2HG1  VAL  71          2HG1      VAL  71 -10.166   9.538  -1.839
  558   3HG1  VAL  71          3HG1      VAL  71 -11.001   7.985  -1.787
  559   1HG2  VAL  71          1HG2      VAL  71  -7.144   7.839  -3.452
  560   2HG2  VAL  71          2HG2      VAL  71  -7.440   9.358  -2.607
  561   3HG2  VAL  71          3HG2      VAL  71  -8.397   8.938  -4.028
  562    H    GLY  72           H        GLY  72  -6.299   9.177  -0.649
  563   1HA   GLY  72          2HA       GLY  72  -6.439  11.657  -0.601
  564   2HA   GLY  72          1HA       GLY  72  -7.733  11.457   0.567
  565    H    LYS  73           H        LYS  73  -5.670   9.104   1.437
  566    HA   LYS  73           HA       LYS  73  -3.692  10.729   2.775
  567   1HB   LYS  73          2HB       LYS  73  -4.364   9.865   5.047
  568   2HB   LYS  73          1HB       LYS  73  -5.445  11.061   4.344
  569   1HG   LYS  73          2HG       LYS  73  -7.103   9.658   4.782
  570   2HG   LYS  73          1HG       LYS  73  -6.474   8.637   3.486
  571   1HD   LYS  73          2HD       LYS  73  -6.796   7.376   5.566
  572   2HD   LYS  73          1HD       LYS  73  -5.098   7.425   5.091
  573   1HE   LYS  73          2HE       LYS  73  -4.502   8.753   6.844
  574   2HE   LYS  73          1HE       LYS  73  -6.073   9.552   6.912
  575   1HZ   LYS  73          1HZ       LYS  73  -6.295   8.276   8.736
  576   2HZ   LYS  73          2HZ       LYS  73  -5.170   7.122   8.223
  577   3HZ   LYS  73          3HZ       LYS  73  -6.751   7.086   7.624
  578    HA   PRO  74           HA       PRO  74  -1.412   6.974   1.982
  579   1HB   PRO  74          2HB       PRO  74   0.334   8.011   4.153
  580   2HB   PRO  74          1HB       PRO  74   0.755   7.522   2.508
  581   1HG   PRO  74          2HG       PRO  74   0.673  10.098   3.186
  582   2HG   PRO  74          1HG       PRO  74   0.104   9.551   1.596
  583   1HD   PRO  74          2HD       PRO  74  -1.475  10.344   4.008
  584   2HD   PRO  74          1HD       PRO  74  -1.806  10.651   2.291
  585    H    LEU  75           H        LEU  75  -0.960   4.992   3.016
  586    HA   LEU  75           HA       LEU  75  -2.062   4.758   5.735
  587   1HB   LEU  75          2HB       LEU  75  -3.076   2.704   5.216
  588   2HB   LEU  75          1HB       LEU  75  -3.487   3.786   3.902
  589    HG   LEU  75           HG       LEU  75  -1.105   2.404   3.178
  590   1HD1  LEU  75          1HD1      LEU  75  -2.053   0.803   4.961
  591   2HD1  LEU  75          2HD1      LEU  75  -1.615   0.146   3.384
  592   3HD1  LEU  75          3HD1      LEU  75  -3.307   0.462   3.769
  593   1HD2  LEU  75          1HD2      LEU  75  -2.974   1.375   1.568
  594   2HD2  LEU  75          2HD2      LEU  75  -2.340   3.009   1.376
  595   3HD2  LEU  75          3HD2      LEU  75  -3.878   2.750   2.201
  596    H    VAL  76           H        VAL  76   0.438   3.733   3.482
  597    HA   VAL  76           HA       VAL  76   1.924   2.680   5.795
  598    HB   VAL  76           HB       VAL  76   1.007   0.744   4.576
  599   1HG1  VAL  76          1HG1      VAL  76   2.517   0.549   2.286
  600   2HG1  VAL  76          2HG1      VAL  76   2.017   2.241   2.293
  601   3HG1  VAL  76          3HG1      VAL  76   0.803   0.961   2.362
  602   1HG2  VAL  76          1HG2      VAL  76   3.828   0.482   3.857
  603   2HG2  VAL  76          2HG2      VAL  76   2.861  -0.441   5.006
  604   3HG2  VAL  76          3HG2      VAL  76   3.562   1.104   5.485
  605    H    ASP  77           H        ASP  77   4.150   2.938   5.740
  606    HA   ASP  77           HA       ASP  77   5.157   4.671   3.582
  607   1HB   ASP  77          2HB       ASP  77   6.552   4.469   6.212
  608   2HB   ASP  77          1HB       ASP  77   6.450   5.834   5.109
  609    H    ILE  78           H        ILE  78   6.771   3.888   2.349
  610    HA   ILE  78           HA       ILE  78   8.474   1.753   3.420
  611    HB   ILE  78           HB       ILE  78   7.589   1.488   0.589
  612   1HG1  ILE  78          2HG1      ILE  78   5.835  -0.197   1.680
  613   2HG1  ILE  78          1HG1      ILE  78   5.884   0.988   2.983
  614   1HG2  ILE  78          1HG2      ILE  78   8.601  -0.318   2.750
  615   2HG2  ILE  78          2HG2      ILE  78   9.282   0.001   1.155
  616   3HG2  ILE  78          3HG2      ILE  78   7.818  -0.970   1.310
  617   1HD1  ILE  78          1HD1      ILE  78   5.622   2.268   0.412
  618   2HD1  ILE  78          2HD1      ILE  78   4.609   2.395   1.853
  619   3HD1  ILE  78          3HD1      ILE  78   4.334   1.094   0.695
  620    H    GLU  79           H        GLU  79  10.565   1.651   2.488
  621    HA   GLU  79           HA       GLU  79  11.256   4.076   0.985
  622   1HB   GLU  79          2HB       GLU  79  12.561   2.533   3.059
  623   2HB   GLU  79          1HB       GLU  79  13.614   2.721   1.665
  624   1HG   GLU  79          2HG       GLU  79  12.530   5.245   2.062
  625   2HG   GLU  79          1HG       GLU  79  12.860   4.637   3.684
  626    H    THR  80           H        THR  80  11.294   3.837  -1.122
  627    HA   THR  80           HA       THR  80  12.712   1.577  -2.304
  628    HB   THR  80           HB       THR  80  10.790   1.631  -4.114
  629    HG1  THR  80           1HG      THR  80   9.297   2.167  -1.758
  630   1HG2  THR  80          1HG2      THR  80  10.221  -0.421  -3.353
  631   2HG2  THR  80          2HG2      THR  80   9.895   0.162  -1.720
  632   3HG2  THR  80          3HG2      THR  80  11.555  -0.148  -2.231
  633    H    GLU  81           H        GLU  81  13.333   1.990  -4.561
  634    HA   GLU  81           HA       GLU  81  14.365   4.553  -4.941
  635   1HB   GLU  81          2HB       GLU  81  15.058   2.399  -6.112
  636   2HB   GLU  81          1HB       GLU  81  13.690   2.653  -7.188
  637   1HG   GLU  81          2HG       GLU  81  15.523   4.937  -6.863
  638   2HG   GLU  81          1HG       GLU  81  16.174   3.527  -7.696
  639    H    ALA  82           H        ALA  82  13.780   6.221  -6.421
  640    HA   ALA  82           HA       ALA  82  11.346   7.319  -6.238
  641   1HB   ALA  82          1HB       ALA  82  11.806   8.632  -8.205
  642   2HB   ALA  82          2HB       ALA  82  12.984   7.445  -8.763
  643   3HB   ALA  82          3HB       ALA  82  13.300   8.382  -7.302
  644    H    LEU  83           H        LEU  83   9.388   6.501  -6.551
  645    HA   LEU  83           HA       LEU  83   8.882   4.976  -9.022
  646   1HB   LEU  83          2HB       LEU  83   7.625   4.700  -6.294
  647   2HB   LEU  83          1HB       LEU  83   6.947   3.970  -7.735
  648    HG   LEU  83           HG       LEU  83   9.458   3.255  -6.265
  649   1HD1  LEU  83          1HD1      LEU  83   6.910   2.197  -6.368
  650   2HD1  LEU  83          2HD1      LEU  83   8.356   1.388  -5.765
  651   3HD1  LEU  83          3HD1      LEU  83   7.843   1.147  -7.436
  652   1HD2  LEU  83          1HD2      LEU  83   9.998   1.751  -8.207
  653   2HD2  LEU  83          2HD2      LEU  83  10.286   3.469  -8.483
  654   3HD2  LEU  83          3HD2      LEU  83   8.854   2.695  -9.162
  655    H    LYS  84           H        LYS  84   7.613   5.958 -10.431
  656    HA   LYS  84           HA       LYS  84   6.468   8.459 -10.072
  657   1HB   LYS  84          2HB       LYS  84   6.526   6.438 -12.137
  658   2HB   LYS  84          1HB       LYS  84   4.953   7.221 -12.072
  659   1HG   LYS  84          2HG       LYS  84   5.753   8.992 -13.124
  660   2HG   LYS  84          1HG       LYS  84   6.986   9.212 -11.881
  661   1HD   LYS  84          2HD       LYS  84   7.825   7.034 -13.450
  662   2HD   LYS  84          1HD       LYS  84   7.271   8.273 -14.578
  663   1HE   LYS  84          2HE       LYS  84   8.703   9.916 -13.377
  664   2HE   LYS  84          1HE       LYS  84   9.333   8.589 -12.402
  665   1HZ   LYS  84          1HZ       LYS  84   9.512   8.717 -15.362
  666   2HZ   LYS  84          2HZ       LYS  84  10.233   7.567 -14.352
  667   3HZ   LYS  84          3HZ       LYS  84  10.757   9.175 -14.311
  668    H    ASP  85           H        ASP  85   5.259   5.367  -9.163
  669    HA   ASP  85           HA       ASP  85   2.601   5.353  -9.216
  670   1HB   ASP  85          2HB       ASP  85   4.416   4.006  -7.743
  671   2HB   ASP  85          1HB       ASP  85   3.621   4.931  -6.472
  672    H    LEU  86           H        LEU  86   4.426   7.391  -6.950
  673    HA   LEU  86           HA       LEU  86   1.919   8.841  -6.395
  674   1HB   LEU  86          2HB       LEU  86   4.295   8.894  -4.569
  675   2HB   LEU  86          1HB       LEU  86   2.628   9.297  -4.211
  676    HG   LEU  86           HG       LEU  86   2.736   6.555  -5.008
  677   1HD1  LEU  86          1HD1      LEU  86   4.312   6.762  -2.536
  678   2HD1  LEU  86          2HD1      LEU  86   5.176   7.171  -4.019
  679   3HD1  LEU  86          3HD1      LEU  86   4.405   5.594  -3.854
  680   1HD2  LEU  86          1HD2      LEU  86   2.223   7.828  -2.320
  681   2HD2  LEU  86          2HD2      LEU  86   1.760   6.199  -2.810
  682   3HD2  LEU  86          3HD2      LEU  86   1.023   7.596  -3.593
  683    H    GLU  87           H        GLU  87   5.070   9.054  -7.695
  684    HA   GLU  87           HA       GLU  87   4.708  11.700  -8.586
  685   1HB   GLU  87          2HB       GLU  87   7.011  12.250  -7.151
  686   2HB   GLU  87          1HB       GLU  87   5.406  12.875  -6.810
  687   1HG   GLU  87          2HG       GLU  87   5.044  11.367  -5.089
  688   2HG   GLU  87          1HG       GLU  87   6.281  10.252  -5.668
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  19.055   8.309   0.733
    2   2H    MET   1          2HT       MET   1  18.495   9.896   0.905
    3   3H    MET   1          3HT       MET   1  17.408   8.603   0.983
    4    HA   MET   1           HA       MET   1  18.310   7.835   3.023
    5   1HB   MET   1          2HB       MET   1  20.653   8.433   2.360
    6   2HB   MET   1          1HB       MET   1  20.293  10.104   2.771
    7   1HG   MET   1          2HG       MET   1  21.489   9.025   4.570
    8   2HG   MET   1          1HG       MET   1  19.854   9.445   5.080
    9   1HE   MET   1          1HE       MET   1  18.647   7.383   6.741
   10   2HE   MET   1          2HE       MET   1  20.190   8.186   7.032
   11   3HE   MET   1          3HE       MET   1  20.061   6.436   7.208
   12    H    GLY   2           H        GLY   2  16.568   8.383   4.178
   13   1HA   GLY   2          2HA       GLY   2  15.659   9.801   5.879
   14   2HA   GLY   2          1HA       GLY   2  16.325  11.186   5.029
   15    H    GLN   3           H        GLN   3  14.812   8.911   2.985
   16    HA   GLN   3           HA       GLN   3  12.236  10.295   3.126
   17   1HB   GLN   3          2HB       GLN   3  14.068  10.196   0.759
   18   2HB   GLN   3          1HB       GLN   3  12.327  10.243   0.519
   19   1HG   GLN   3          2HG       GLN   3  12.457  12.284   2.146
   20   2HG   GLN   3          1HG       GLN   3  14.143  12.320   1.635
   21   1HE2  GLN   3          1HE2      GLN   3  14.083  14.166   0.456
   22   2HE2  GLN   3          2HE2      GLN   3  13.152  14.362  -0.986
   23    H    VAL   4           H        VAL   4  10.484   9.115   2.391
   24    HA   VAL   4           HA       VAL   4  10.965   6.389   1.434
   25    HB   VAL   4           HB       VAL   4   9.349   5.439   3.001
   26   1HG1  VAL   4          1HG1      VAL   4  10.752   6.184   5.179
   27   2HG1  VAL   4          2HG1      VAL   4  11.850   6.698   3.898
   28   3HG1  VAL   4          3HG1      VAL   4  11.321   5.017   3.987
   29   1HG2  VAL   4          1HG2      VAL   4   9.235   8.230   4.120
   30   2HG2  VAL   4          2HG2      VAL   4   8.624   6.804   4.962
   31   3HG2  VAL   4          3HG2      VAL   4   7.916   7.289   3.422
   32    H    VAL   5           H        VAL   5   9.277   5.496   0.239
   33    HA   VAL   5           HA       VAL   5   7.331   7.451  -0.750
   34    HB   VAL   5           HB       VAL   5   6.922   5.836  -2.574
   35   1HG1  VAL   5          1HG1      VAL   5   8.753   7.595  -2.627
   36   2HG1  VAL   5          2HG1      VAL   5   8.893   6.271  -3.783
   37   3HG1  VAL   5          3HG1      VAL   5   9.884   6.276  -2.324
   38   1HG2  VAL   5          1HG2      VAL   5   9.238   4.219  -1.561
   39   2HG2  VAL   5          2HG2      VAL   5   8.050   3.800  -2.795
   40   3HG2  VAL   5          3HG2      VAL   5   7.578   3.844  -1.097
   41    H    GLN   6           H        GLN   6   5.156   7.180  -0.469
   42    HA   GLN   6           HA       GLN   6   4.379   4.848   1.132
   43   1HB   GLN   6          2HB       GLN   6   3.210   7.628   1.208
   44   2HB   GLN   6          1HB       GLN   6   2.670   6.268   2.181
   45   1HG   GLN   6          2HG       GLN   6   4.171   6.745   3.724
   46   2HG   GLN   6          1HG       GLN   6   5.471   6.579   2.544
   47   1HE2  GLN   6          1HE2      GLN   6   6.073   8.450   1.320
   48   2HE2  GLN   6          2HE2      GLN   6   5.840  10.030   1.979
   49    H    PHE   7           H        PHE   7   2.416   3.863   0.830
   50    HA   PHE   7           HA       PHE   7   1.213   4.289  -1.801
   51   1HB   PHE   7          2HB       PHE   7   1.827   2.009  -1.506
   52   2HB   PHE   7          1HB       PHE   7   1.217   1.979   0.146
   53    HD1  PHE   7           1HD      PHE   7  -0.625   0.681   0.427
   54    HD2  PHE   7           2HD      PHE   7  -0.176   2.829  -3.215
   55    HE1  PHE   7           1HE      PHE   7  -2.778  -0.203  -0.353
   56    HE2  PHE   7           2HE      PHE   7  -2.328   1.948  -4.006
   57    HZ   PHE   7           HZ       PHE   7  -3.638   0.428  -2.575
   58    H    LYS   8           H        LYS   8  -0.795   5.082  -1.993
   59    HA   LYS   8           HA       LYS   8  -2.378   5.464   0.465
   60   1HB   LYS   8          2HB       LYS   8  -1.576   7.595  -0.268
   61   2HB   LYS   8          1HB       LYS   8  -2.004   7.253  -1.937
   62   1HG   LYS   8          2HG       LYS   8  -4.436   7.089  -0.870
   63   2HG   LYS   8          1HG       LYS   8  -3.694   8.168   0.310
   64   1HD   LYS   8          2HD       LYS   8  -3.959   8.585  -2.661
   65   2HD   LYS   8          1HD       LYS   8  -4.694   9.532  -1.368
   66   1HE   LYS   8          2HE       LYS   8  -2.383  10.162  -0.634
   67   2HE   LYS   8          1HE       LYS   8  -1.768   9.374  -2.089
   68   1HZ   LYS   8          1HZ       LYS   8  -3.856  11.433  -2.331
   69   2HZ   LYS   8          2HZ       LYS   8  -2.662  10.980  -3.440
   70   3HZ   LYS   8          3HZ       LYS   8  -2.250  11.908  -2.088
   71    H    LEU   9           H        LEU   9  -4.473   4.813   0.450
   72    HA   LEU   9           HA       LEU   9  -5.438   2.909  -1.263
   73   1HB   LEU   9          2HB       LEU   9  -6.415   3.526   0.935
   74   2HB   LEU   9          1HB       LEU   9  -7.101   4.961   0.206
   75    HG   LEU   9           HG       LEU   9  -8.751   3.142   0.528
   76   1HD1  LEU   9          1HD1      LEU   9  -8.678   3.244  -2.383
   77   2HD1  LEU   9          2HD1      LEU   9  -8.484   4.816  -1.608
   78   3HD1  LEU   9          3HD1      LEU   9  -9.898   3.828  -1.253
   79   1HD2  LEU   9          1HD2      LEU   9  -8.220   1.057   0.082
   80   2HD2  LEU   9          2HD2      LEU   9  -6.700   1.562  -0.665
   81   3HD2  LEU   9          3HD2      LEU   9  -8.170   1.462  -1.636
   82    H    SER  10           H        SER  10  -5.771   2.967  -3.380
   83    HA   SER  10           HA       SER  10  -7.129   5.301  -4.534
   84   1HB   SER  10          2HB       SER  10  -4.676   5.450  -4.987
   85   2HB   SER  10          1HB       SER  10  -4.777   3.908  -5.835
   86    HG   SER  10           HG       SER  10  -4.931   5.690  -7.263
   87    H    ASP  11           H        ASP  11  -8.924   3.744  -4.241
   88    HA   ASP  11           HA       ASP  11  -9.149   2.040  -6.617
   89   1HB   ASP  11          2HB       ASP  11  -8.727   0.886  -4.242
   90   2HB   ASP  11          1HB       ASP  11 -10.473   1.080  -4.137
   91    H    ILE  12           H        ILE  12 -10.823   3.766  -4.020
   92    HA   ILE  12           HA       ILE  12 -13.158   3.997  -5.799
   93    HB   ILE  12           HB       ILE  12 -14.363   4.518  -3.540
   94   1HG1  ILE  12          2HG1      ILE  12 -12.149   4.402  -2.279
   95   2HG1  ILE  12          1HG1      ILE  12 -13.486   3.481  -1.599
   96   1HG2  ILE  12          1HG2      ILE  12 -14.886   2.104  -3.300
   97   2HG2  ILE  12          2HG2      ILE  12 -13.573   1.748  -4.422
   98   3HG2  ILE  12          3HG2      ILE  12 -14.967   2.682  -4.964
   99   1HD1  ILE  12          1HD1      ILE  12 -10.902   2.578  -2.366
  100   2HD1  ILE  12          2HD1      ILE  12 -12.109   1.768  -3.367
  101   3HD1  ILE  12          3HD1      ILE  12 -12.215   1.674  -1.610
  102    H    GLY  13           H        GLY  13 -14.581   5.964  -4.833
  103   1HA   GLY  13          2HA       GLY  13 -12.849   8.284  -5.198
  104   2HA   GLY  13          1HA       GLY  13 -14.601   8.269  -5.301
  105    H    GLU  14           H        GLU  14 -13.518  10.309  -3.989
  106    HA   GLU  14           HA       GLU  14 -13.308   9.745  -1.159
  107   1HB   GLU  14          2HB       GLU  14 -12.904  12.097  -2.919
  108   2HB   GLU  14          1HB       GLU  14 -13.393  12.435  -1.264
  109   1HG   GLU  14          2HG       GLU  14 -11.470  10.855  -0.609
  110   2HG   GLU  14          1HG       GLU  14 -10.906  11.108  -2.260
  111    H    GLY  15           H        GLY  15 -15.385   8.901  -0.692
  112   1HA   GLY  15          2HA       GLY  15 -17.216  10.409   0.530
  113   2HA   GLY  15          1HA       GLY  15 -17.706  10.597  -1.147
  114    H    ILE  16           H        ILE  16 -17.096   7.991  -2.038
  115    HA   ILE  16           HA       ILE  16 -19.441   6.613  -1.104
  116    HB   ILE  16           HB       ILE  16 -18.960   4.972  -2.815
  117   1HG1  ILE  16          2HG1      ILE  16 -16.617   6.206  -3.994
  118   2HG1  ILE  16          1HG1      ILE  16 -16.287   5.672  -2.347
  119   1HG2  ILE  16          1HG2      ILE  16 -19.817   6.370  -4.306
  120   2HG2  ILE  16          2HG2      ILE  16 -18.246   7.138  -4.531
  121   3HG2  ILE  16          3HG2      ILE  16 -19.343   7.724  -3.280
  122   1HD1  ILE  16          1HD1      ILE  16 -16.258   4.133  -4.659
  123   2HD1  ILE  16          2HD1      ILE  16 -17.727   3.655  -3.807
  124   3HD1  ILE  16          3HD1      ILE  16 -16.164   3.563  -2.993
  125    H    ARG  17           H        ARG  17 -18.913   4.006  -1.137
  126    HA   ARG  17           HA       ARG  17 -17.886   3.436   1.388
  127   1HB   ARG  17          2HB       ARG  17 -17.939   1.076   0.683
  128   2HB   ARG  17          1HB       ARG  17 -19.409   1.927   0.227
  129   1HG   ARG  17          2HG       ARG  17 -18.354   2.237  -2.055
  130   2HG   ARG  17          1HG       ARG  17 -17.137   1.069  -1.536
  131   1HD   ARG  17          2HD       ARG  17 -20.025   0.390  -1.235
  132   2HD   ARG  17          1HD       ARG  17 -19.284   0.297  -2.833
  133    HE   ARG  17           HE       ARG  17 -17.825  -1.069  -0.753
  134   1HH1  ARG  17          1HH1      ARG  17 -20.305  -1.317  -3.187
  135   2HH1  ARG  17          2HH1      ARG  17 -20.167  -3.037  -3.338
  136   1HH2  ARG  17          1HH2      ARG  17 -17.635  -3.333  -0.942
  137   2HH2  ARG  17          2HH2      ARG  17 -18.650  -4.184  -2.058
  138    H    GLU  18           H        GLU  18 -15.969   2.330   2.030
  139    HA   GLU  18           HA       GLU  18 -13.660   3.037   0.370
  140   1HB   GLU  18          2HB       GLU  18 -13.953   2.368   3.296
  141   2HB   GLU  18          1HB       GLU  18 -12.386   2.518   2.511
  142   1HG   GLU  18          2HG       GLU  18 -12.472   4.680   2.991
  143   2HG   GLU  18          1HG       GLU  18 -13.747   4.818   1.777
  144    H    VAL  19           H        VAL  19 -11.728   1.361   0.686
  145    HA   VAL  19           HA       VAL  19 -12.947  -1.298   0.235
  146    HB   VAL  19           HB       VAL  19 -12.006  -0.319  -1.815
  147   1HG1  VAL  19          1HG1      VAL  19 -10.158   0.892  -0.598
  148   2HG1  VAL  19          2HG1      VAL  19  -9.702   0.088  -2.100
  149   3HG1  VAL  19          3HG1      VAL  19  -9.303  -0.650  -0.548
  150   1HG2  VAL  19          1HG2      VAL  19 -11.110  -2.307  -2.588
  151   2HG2  VAL  19          2HG2      VAL  19 -12.015  -2.833  -1.169
  152   3HG2  VAL  19          3HG2      VAL  19 -10.265  -2.634  -1.075
  153    H    THR  20           H        THR  20 -11.968  -3.140   0.972
  154    HA   THR  20           HA       THR  20 -10.133  -2.749   3.222
  155    HB   THR  20           HB       THR  20 -11.207  -5.448   2.671
  156    HG1  THR  20           1HG      THR  20 -13.166  -4.672   2.390
  157   1HG2  THR  20          1HG2      THR  20 -11.522  -5.467   5.086
  158   2HG2  THR  20          2HG2      THR  20 -11.124  -3.754   5.169
  159   3HG2  THR  20          3HG2      THR  20  -9.895  -4.919   4.684
  160    H    VAL  21           H        VAL  21  -8.367  -4.217   3.550
  161    HA   VAL  21           HA       VAL  21  -6.941  -4.771   1.096
  162    HB   VAL  21           HB       VAL  21  -6.121  -5.406   3.937
  163   1HG1  VAL  21          1HG1      VAL  21  -4.850  -5.753   1.306
  164   2HG1  VAL  21          2HG1      VAL  21  -4.579  -6.612   2.822
  165   3HG1  VAL  21          3HG1      VAL  21  -3.828  -5.039   2.554
  166   1HG2  VAL  21          1HG2      VAL  21  -5.697  -2.961   2.238
  167   2HG2  VAL  21          2HG2      VAL  21  -4.680  -3.343   3.627
  168   3HG2  VAL  21          3HG2      VAL  21  -6.408  -3.064   3.849
  169    H    LYS  22           H        LYS  22  -6.651  -6.723   0.144
  170    HA   LYS  22           HA       LYS  22  -8.077  -8.990   1.334
  171   1HB   LYS  22          2HB       LYS  22  -8.086  -7.927  -1.249
  172   2HB   LYS  22          1HB       LYS  22  -7.165  -9.419  -1.380
  173   1HG   LYS  22          2HG       LYS  22  -9.789  -9.411   0.044
  174   2HG   LYS  22          1HG       LYS  22  -9.735  -9.451  -1.719
  175   1HD   LYS  22          2HD       LYS  22  -8.631 -11.513  -1.754
  176   2HD   LYS  22          1HD       LYS  22  -8.129 -11.374  -0.068
  177   1HE   LYS  22          2HE       LYS  22 -10.310 -11.812   0.720
  178   2HE   LYS  22          1HE       LYS  22 -11.017 -11.569  -0.877
  179   1HZ   LYS  22          1HZ       LYS  22 -10.791 -13.936  -0.142
  180   2HZ   LYS  22          2HZ       LYS  22  -9.114 -13.759  -0.270
  181   3HZ   LYS  22          3HZ       LYS  22 -10.089 -13.587  -1.641
  182    H    GLU  23           H        GLU  23  -4.947  -8.054  -0.001
  183    HA   GLU  23           HA       GLU  23  -3.843 -10.538   1.128
  184   1HB   GLU  23          2HB       GLU  23  -3.890  -9.809  -1.594
  185   2HB   GLU  23          1HB       GLU  23  -2.230  -9.595  -1.055
  186   1HG   GLU  23          2HG       GLU  23  -2.665 -11.979   0.012
  187   2HG   GLU  23          1HG       GLU  23  -3.849 -12.064  -1.291
  188    H    TRP  24           H        TRP  24  -2.363 -10.212   2.612
  189    HA   TRP  24           HA       TRP  24  -0.764  -7.736   2.541
  190   1HB   TRP  24          2HB       TRP  24  -2.379  -8.916   4.712
  191   2HB   TRP  24          1HB       TRP  24  -0.763  -8.409   5.189
  192    HD1  TRP  24           HD       TRP  24  -4.113  -7.101   5.088
  193    HE1  TRP  24           1HE      TRP  24  -4.145  -4.528   5.082
  194    HE3  TRP  24           3HE      TRP  24   0.772  -6.238   3.864
  195    HZ2  TRP  24           2HZ      TRP  24  -2.335  -2.412   4.620
  196    HZ3  TRP  24           3HZ      TRP  24   1.542  -3.910   3.658
  197    HH2  TRP  24           HH       TRP  24   0.020  -2.038   4.028
  198    H    TYR  25           H        TYR  25   1.303  -8.234   2.124
  199    HA   TYR  25           HA       TYR  25   2.377 -10.731   3.274
  200   1HB   TYR  25          2HB       TYR  25   2.238  -9.902   0.527
  201   2HB   TYR  25          1HB       TYR  25   3.924 -10.049   1.011
  202    HD1  TYR  25           1HD      TYR  25   0.701 -11.888   0.912
  203    HD2  TYR  25           2HD      TYR  25   4.937 -12.158   1.194
  204    HE1  TYR  25           1HE      TYR  25   0.557 -14.328   0.640
  205    HE2  TYR  25           2HE      TYR  25   4.806 -14.597   0.921
  206    HH   TYR  25           HH       TYR  25   3.461 -16.372   0.725
  207    H    VAL  26           H        VAL  26   2.440  -7.887   4.231
  208    HA   VAL  26           HA       VAL  26   5.281  -7.845   4.817
  209    HB   VAL  26           HB       VAL  26   5.698  -5.598   4.109
  210   1HG1  VAL  26          1HG1      VAL  26   5.976  -7.290   2.397
  211   2HG1  VAL  26          2HG1      VAL  26   5.410  -5.780   1.685
  212   3HG1  VAL  26          3HG1      VAL  26   4.287  -7.113   1.921
  213   1HG2  VAL  26          1HG2      VAL  26   3.390  -4.750   4.617
  214   2HG2  VAL  26          2HG2      VAL  26   2.870  -5.430   3.076
  215   3HG2  VAL  26          3HG2      VAL  26   4.082  -4.149   3.112
  216    H    LYS  27           H        LYS  27   5.823  -6.253   6.525
  217    HA   LYS  27           HA       LYS  27   3.550  -5.292   8.085
  218   1HB   LYS  27          2HB       LYS  27   5.205  -7.596   8.790
  219   2HB   LYS  27          1HB       LYS  27   5.138  -6.378  10.056
  220   1HG   LYS  27          2HG       LYS  27   2.689  -7.515   8.735
  221   2HG   LYS  27          1HG       LYS  27   3.412  -8.192  10.196
  222   1HD   LYS  27          2HD       LYS  27   3.132  -6.007  11.310
  223   2HD   LYS  27          1HD       LYS  27   2.339  -5.391   9.858
  224   1HE   LYS  27          2HE       LYS  27   0.601  -7.110  10.095
  225   2HE   LYS  27          1HE       LYS  27   1.387  -7.691  11.562
  226   1HZ   LYS  27          1HZ       LYS  27   0.934  -4.904  11.731
  227   2HZ   LYS  27          2HZ       LYS  27   0.362  -6.138  12.737
  228   3HZ   LYS  27          3HZ       LYS  27  -0.514  -5.697  11.359
  229    H    GLU  28           H        GLU  28   4.368  -4.145  10.102
  230    HA   GLU  28           HA       GLU  28   5.938  -1.964   9.352
  231   1HB   GLU  28          2HB       GLU  28   5.769  -2.748  12.236
  232   2HB   GLU  28          1HB       GLU  28   5.649  -1.154  11.510
  233   1HG   GLU  28          2HG       GLU  28   3.442  -2.145  10.489
  234   2HG   GLU  28          1HG       GLU  28   3.570  -3.244  11.861
  235    H    GLY  29           H        GLY  29   8.082  -1.469   9.491
  236   1HA   GLY  29          2HA       GLY  29  10.328  -1.705   9.946
  237   2HA   GLY  29          1HA       GLY  29   9.902  -2.906  11.154
  238    H    ASP  30           H        ASP  30   8.498  -3.839   8.287
  239    HA   ASP  30           HA       ASP  30  10.660  -5.761   7.837
  240   1HB   ASP  30          2HB       ASP  30   7.795  -5.931   7.804
  241   2HB   ASP  30          1HB       ASP  30   8.429  -6.427   6.238
  242    H    THR  31           H        THR  31  11.333  -6.318   5.710
  243    HA   THR  31           HA       THR  31  11.296  -4.011   3.907
  244    HB   THR  31           HB       THR  31  13.075  -6.436   3.678
  245    HG1  THR  31           1HG      THR  31  13.386  -4.070   5.218
  246   1HG2  THR  31          1HG2      THR  31  14.468  -5.018   2.340
  247   2HG2  THR  31          2HG2      THR  31  13.487  -3.604   2.724
  248   3HG2  THR  31          3HG2      THR  31  12.822  -4.892   1.720
  249    H    VAL  32           H        VAL  32  10.977  -4.274   1.665
  250    HA   VAL  32           HA       VAL  32   9.298  -6.581   0.965
  251    HB   VAL  32           HB       VAL  32   8.837  -4.735  -1.019
  252   1HG1  VAL  32          1HG1      VAL  32   6.829  -5.436  -0.431
  253   2HG1  VAL  32          2HG1      VAL  32   6.866  -4.309   0.925
  254   3HG1  VAL  32          3HG1      VAL  32   7.433  -5.965   1.139
  255   1HG2  VAL  32          1HG2      VAL  32   9.986  -2.938   0.109
  256   2HG2  VAL  32          2HG2      VAL  32   9.068  -3.232   1.586
  257   3HG2  VAL  32          3HG2      VAL  32   8.250  -2.630   0.146
  258    H    SER  33           H        SER  33   9.365  -7.272  -1.296
  259    HA   SER  33           HA       SER  33  11.935  -6.752  -2.619
  260   1HB   SER  33          2HB       SER  33  11.410  -9.104  -1.279
  261   2HB   SER  33          1HB       SER  33  10.971  -9.501  -2.941
  262    HG   SER  33           HG       SER  33  13.063  -8.696  -3.551
  263    H    GLN  34           H        GLN  34  11.822  -7.953  -4.894
  264    HA   GLN  34           HA       GLN  34   9.742  -6.649  -6.327
  265   1HB   GLN  34          2HB       GLN  34  11.589  -8.787  -7.386
  266   2HB   GLN  34          1HB       GLN  34  10.761  -7.537  -8.305
  267   1HG   GLN  34          2HG       GLN  34  12.110  -5.837  -7.106
  268   2HG   GLN  34          1HG       GLN  34  13.002  -7.149  -6.338
  269   1HE2  GLN  34          1HE2      GLN  34  12.694  -5.179  -9.081
  270   2HE2  GLN  34          2HE2      GLN  34  13.911  -5.927 -10.052
  271    H    PHE  35           H        PHE  35  10.087  -9.796  -4.957
  272    HA   PHE  35           HA       PHE  35   7.808 -10.810  -6.495
  273   1HB   PHE  35          2HB       PHE  35  10.128 -12.028  -5.202
  274   2HB   PHE  35          1HB       PHE  35   8.621 -12.859  -4.831
  275    HD1  PHE  35           1HD      PHE  35  10.011 -11.228  -7.890
  276    HD2  PHE  35           2HD      PHE  35   8.355 -14.728  -6.124
  277    HE1  PHE  35           1HE      PHE  35  10.116 -12.371 -10.066
  278    HE2  PHE  35           2HE      PHE  35   8.456 -15.877  -8.297
  279    HZ   PHE  35           HZ       PHE  35   9.339 -14.699 -10.272
  280    H    ASP  36           H        ASP  36   8.656  -9.599  -3.387
  281    HA   ASP  36           HA       ASP  36   6.243 -10.713  -2.163
  282   1HB   ASP  36          2HB       ASP  36   8.832  -9.825  -1.181
  283   2HB   ASP  36          1HB       ASP  36   7.506  -9.116  -0.265
  284    H    SER  37           H        SER  37   4.505  -9.564  -2.797
  285    HA   SER  37           HA       SER  37   4.510  -6.769  -3.279
  286   1HB   SER  37          2HB       SER  37   1.917  -7.182  -3.028
  287   2HB   SER  37          1HB       SER  37   2.792  -7.832  -4.414
  288    HG   SER  37           HG       SER  37   2.211  -9.253  -2.025
  289    H    ILE  38           H        ILE  38   3.228  -5.162  -2.085
  290    HA   ILE  38           HA       ILE  38   3.743  -5.389   0.768
  291    HB   ILE  38           HB       ILE  38   2.558  -3.055  -0.735
  292   1HG1  ILE  38          2HG1      ILE  38   5.380  -3.958  -0.284
  293   2HG1  ILE  38          1HG1      ILE  38   4.654  -3.261  -1.724
  294   1HG2  ILE  38          1HG2      ILE  38   2.556  -1.914   1.202
  295   2HG2  ILE  38          2HG2      ILE  38   4.087  -2.612   1.732
  296   3HG2  ILE  38          3HG2      ILE  38   2.585  -3.510   1.952
  297   1HD1  ILE  38          1HD1      ILE  38   5.237  -1.709   0.785
  298   2HD1  ILE  38          2HD1      ILE  38   4.735  -1.070  -0.782
  299   3HD1  ILE  38          3HD1      ILE  38   6.325  -1.814  -0.599
  300    H    CYS  39           H        CYS  39   0.931  -4.091  -0.988
  301    HA   CYS  39           HA       CYS  39  -0.830  -5.744   0.665
  302   1HB   CYS  39          2HB       CYS  39  -2.317  -3.566   0.757
  303   2HB   CYS  39          1HB       CYS  39  -1.064  -3.853   1.956
  304    HG   CYS  39           HG       CYS  39  -0.343  -1.385   1.625
  305    H    GLU  40           H        GLU  40  -3.009  -5.920  -0.190
  306    HA   GLU  40           HA       GLU  40  -3.324  -5.070  -2.974
  307   1HB   GLU  40          2HB       GLU  40  -3.420  -7.905  -1.965
  308   2HB   GLU  40          1HB       GLU  40  -4.252  -7.422  -3.437
  309   1HG   GLU  40          2HG       GLU  40  -2.367  -7.381  -4.623
  310   2HG   GLU  40          1HG       GLU  40  -1.473  -6.556  -3.349
  311    H    VAL  41           H        VAL  41  -5.275  -4.210  -3.292
  312    HA   VAL  41           HA       VAL  41  -7.437  -4.981  -1.443
  313    HB   VAL  41           HB       VAL  41  -8.362  -2.777  -1.568
  314   1HG1  VAL  41          1HG1      VAL  41  -6.840  -1.650  -0.258
  315   2HG1  VAL  41          2HG1      VAL  41  -5.459  -2.179  -1.220
  316   3HG1  VAL  41          3HG1      VAL  41  -6.259  -3.310  -0.130
  317   1HG2  VAL  41          1HG2      VAL  41  -7.234  -0.959  -2.832
  318   2HG2  VAL  41          2HG2      VAL  41  -7.935  -2.207  -3.863
  319   3HG2  VAL  41          3HG2      VAL  41  -6.195  -2.174  -3.578
  320    H    GLN  42           H        GLN  42  -9.468  -5.363  -2.272
  321    HA   GLN  42           HA       GLN  42  -9.696  -5.321  -5.209
  322   1HB   GLN  42          2HB       GLN  42 -10.028  -7.553  -3.320
  323   2HB   GLN  42          1HB       GLN  42 -11.326  -7.391  -4.497
  324   1HG   GLN  42          2HG       GLN  42  -9.862  -7.681  -6.310
  325   2HG   GLN  42          1HG       GLN  42  -8.437  -7.428  -5.305
  326   1HE2  GLN  42          1HE2      GLN  42  -7.463  -9.348  -5.801
  327   2HE2  GLN  42          2HE2      GLN  42  -8.078 -10.883  -5.300
  328    H    SER  43           H        SER  43 -11.551  -4.553  -6.049
  329    HA   SER  43           HA       SER  43 -13.720  -3.877  -4.174
  330   1HB   SER  43          2HB       SER  43 -12.272  -1.933  -5.079
  331   2HB   SER  43          1HB       SER  43 -13.098  -2.221  -6.611
  332    HG   SER  43           HG       SER  43 -14.269  -1.534  -4.121
  333    H    ASP  44           H        ASP  44 -15.856  -3.834  -5.066
  334    HA   ASP  44           HA       ASP  44 -16.516  -6.015  -6.633
  335   1HB   ASP  44          2HB       ASP  44 -18.035  -4.622  -5.128
  336   2HB   ASP  44          1HB       ASP  44 -18.205  -3.521  -6.493
  337    H    LYS  45           H        LYS  45 -15.406  -2.905  -7.626
  338    HA   LYS  45           HA       LYS  45 -16.415  -3.180 -10.327
  339   1HB   LYS  45          2HB       LYS  45 -15.554  -1.015 -10.735
  340   2HB   LYS  45          1HB       LYS  45 -16.201  -0.972  -9.102
  341   1HG   LYS  45          2HG       LYS  45 -13.915  -1.281  -8.223
  342   2HG   LYS  45          1HG       LYS  45 -13.302  -1.214  -9.876
  343   1HD   LYS  45          2HD       LYS  45 -13.100   0.988  -9.513
  344   2HD   LYS  45          1HD       LYS  45 -14.850   1.039  -9.738
  345   1HE   LYS  45          2HE       LYS  45 -13.474   0.646  -7.084
  346   2HE   LYS  45          1HE       LYS  45 -14.070   2.194  -7.681
  347   1HZ   LYS  45          1HZ       LYS  45 -16.273   0.833  -7.934
  348   2HZ   LYS  45          2HZ       LYS  45 -15.840   1.506  -6.445
  349   3HZ   LYS  45          3HZ       LYS  45 -15.573  -0.138  -6.738
  350    H    ALA  46           H        ALA  46 -13.194  -3.076  -8.781
  351    HA   ALA  46           HA       ALA  46 -12.199  -4.894 -10.818
  352   1HB   ALA  46          1HB       ALA  46 -10.205  -3.381 -11.214
  353   2HB   ALA  46          2HB       ALA  46 -11.157  -2.097 -10.469
  354   3HB   ALA  46          3HB       ALA  46 -11.731  -2.877 -11.943
  355    H    SER  47           H        SER  47  -9.993  -5.661 -10.341
  356    HA   SER  47           HA       SER  47  -9.537  -5.747  -7.436
  357   1HB   SER  47          2HB       SER  47  -8.456  -7.685  -9.488
  358   2HB   SER  47          1HB       SER  47  -8.520  -7.892  -7.738
  359    HG   SER  47           HG       SER  47 -10.286  -8.719  -9.433
  360    H    VAL  48           H        VAL  48  -7.902  -4.542  -6.725
  361    HA   VAL  48           HA       VAL  48  -5.684  -3.963  -8.571
  362    HB   VAL  48           HB       VAL  48  -6.314  -2.399  -6.077
  363   1HG1  VAL  48          1HG1      VAL  48  -4.062  -2.243  -7.213
  364   2HG1  VAL  48          2HG1      VAL  48  -4.933  -0.723  -7.008
  365   3HG1  VAL  48          3HG1      VAL  48  -4.903  -1.517  -8.583
  366   1HG2  VAL  48          1HG2      VAL  48  -7.419  -2.055  -8.856
  367   2HG2  VAL  48          2HG2      VAL  48  -7.385  -0.751  -7.670
  368   3HG2  VAL  48          3HG2      VAL  48  -8.308  -2.217  -7.342
  369    H    THR  49           H        THR  49  -3.657  -4.493  -8.075
  370    HA   THR  49           HA       THR  49  -3.096  -5.541  -5.378
  371    HB   THR  49           HB       THR  49  -1.557  -7.182  -6.388
  372    HG1  THR  49           1HG      THR  49  -1.364  -7.365  -8.570
  373   1HG2  THR  49          1HG2      THR  49  -3.301  -8.564  -6.269
  374   2HG2  THR  49          2HG2      THR  49  -3.759  -8.103  -7.908
  375   3HG2  THR  49          3HG2      THR  49  -4.411  -7.219  -6.529
  376    H    ILE  50           H        ILE  50  -1.399  -4.601  -4.392
  377    HA   ILE  50           HA       ILE  50   0.223  -2.754  -5.982
  378    HB   ILE  50           HB       ILE  50   0.130  -2.943  -2.978
  379   1HG1  ILE  50          2HG1      ILE  50  -2.119  -2.486  -3.946
  380   2HG1  ILE  50          1HG1      ILE  50  -1.486  -1.142  -3.002
  381   1HG2  ILE  50          1HG2      ILE  50   1.822  -1.510  -3.122
  382   2HG2  ILE  50          2HG2      ILE  50   0.686  -0.344  -3.803
  383   3HG2  ILE  50          3HG2      ILE  50   1.636  -1.377  -4.871
  384   1HD1  ILE  50          1HD1      ILE  50  -1.874  -1.373  -5.946
  385   2HD1  ILE  50          2HD1      ILE  50  -0.655  -0.272  -5.304
  386   3HD1  ILE  50          3HD1      ILE  50  -2.347  -0.078  -4.846
  387    H    THR  51           H        THR  51   1.966  -3.672  -6.798
  388    HA   THR  51           HA       THR  51   3.445  -5.684  -5.308
  389    HB   THR  51           HB       THR  51   4.908  -5.070  -7.605
  390    HG1  THR  51           1HG      THR  51   3.425  -4.025  -8.750
  391   1HG2  THR  51          1HG2      THR  51   2.809  -7.182  -7.712
  392   2HG2  THR  51          2HG2      THR  51   4.047  -7.291  -6.460
  393   3HG2  THR  51          3HG2      THR  51   4.513  -7.261  -8.161
  394    H    SER  52           H        SER  52   5.999  -5.326  -5.734
  395    HA   SER  52           HA       SER  52   6.560  -2.734  -4.480
  396   1HB   SER  52          2HB       SER  52   7.217  -5.097  -3.490
  397   2HB   SER  52          1HB       SER  52   8.591  -4.925  -4.582
  398    HG   SER  52           HG       SER  52   9.318  -3.910  -2.844
  399    H    ARG  53           H        ARG  53   7.809  -4.945  -6.959
  400    HA   ARG  53           HA       ARG  53   9.000  -4.610  -8.852
  401   1HB   ARG  53          2HB       ARG  53   8.541  -2.762 -10.139
  402   2HB   ARG  53          1HB       ARG  53   7.199  -2.711  -9.012
  403   1HG   ARG  53          2HG       ARG  53   7.741  -0.643  -8.455
  404   2HG   ARG  53          1HG       ARG  53   9.327  -1.176  -7.907
  405   1HD   ARG  53          2HD       ARG  53   9.934   0.325  -9.525
  406   2HD   ARG  53          1HD       ARG  53   9.865  -1.158 -10.476
  407    HE   ARG  53           HE       ARG  53   7.405   0.353 -10.408
  408   1HH1  ARG  53          1HH1      ARG  53  10.431  -0.183 -12.051
  409   2HH1  ARG  53          2HH1      ARG  53   9.873   0.461 -13.559
  410   1HH2  ARG  53          1HH2      ARG  53   6.665   1.206 -12.389
  411   2HH2  ARG  53          2HH2      ARG  53   7.735   1.252 -13.750
  412    H    TYR  54           H        TYR  54  10.032  -3.884  -5.962
  413    HA   TYR  54           HA       TYR  54  12.739  -3.756  -6.584
  414   1HB   TYR  54          2HB       TYR  54  11.451  -1.208  -6.658
  415   2HB   TYR  54          1HB       TYR  54  12.472  -1.256  -5.224
  416    HD1  TYR  54           1HD      TYR  54  14.579  -3.144  -6.417
  417    HD2  TYR  54           2HD      TYR  54  12.731   0.394  -7.890
  418    HE1  TYR  54           1HE      TYR  54  16.555  -2.700  -7.809
  419    HE2  TYR  54           2HE      TYR  54  14.704   0.848  -9.287
  420    HH   TYR  54           HH       TYR  54  17.165  -1.468  -9.802
  421    H    ASP  55           H        ASP  55  14.025  -3.230  -4.468
  422    HA   ASP  55           HA       ASP  55  12.502  -4.468  -2.296
  423   1HB   ASP  55          2HB       ASP  55  15.458  -4.026  -2.141
  424   2HB   ASP  55          1HB       ASP  55  14.475  -5.302  -1.427
  425    H    GLY  56           H        GLY  56  11.761  -3.270  -0.694
  426   1HA   GLY  56          2HA       GLY  56  13.245  -0.842   0.050
  427   2HA   GLY  56          1HA       GLY  56  11.522  -0.738  -0.276
  428    H    VAL  57           H        VAL  57  12.532   0.091   2.135
  429    HA   VAL  57           HA       VAL  57  11.930  -2.104   3.996
  430    HB   VAL  57           HB       VAL  57  13.112   0.588   4.669
  431   1HG1  VAL  57          1HG1      VAL  57  13.310  -0.125   6.805
  432   2HG1  VAL  57          2HG1      VAL  57  13.587  -1.802   6.335
  433   3HG1  VAL  57          3HG1      VAL  57  11.948  -1.150   6.354
  434   1HG2  VAL  57          1HG2      VAL  57  14.364  -1.926   3.693
  435   2HG2  VAL  57          2HG2      VAL  57  15.205  -1.005   4.940
  436   3HG2  VAL  57          3HG2      VAL  57  14.816  -0.247   3.395
  437    H    ILE  58           H        ILE  58  10.014  -2.200   4.937
  438    HA   ILE  58           HA       ILE  58   8.286   0.175   4.958
  439    HB   ILE  58           HB       ILE  58   7.459  -2.636   5.682
  440   1HG1  ILE  58          2HG1      ILE  58   7.214  -1.357   2.961
  441   2HG1  ILE  58          1HG1      ILE  58   8.517  -2.462   3.386
  442   1HG2  ILE  58          1HG2      ILE  58   5.274  -1.584   4.641
  443   2HG2  ILE  58          2HG2      ILE  58   6.058  -0.073   5.108
  444   3HG2  ILE  58          3HG2      ILE  58   5.711  -1.299   6.327
  445   1HD1  ILE  58          1HD1      ILE  58   6.082  -3.700   4.099
  446   2HD1  ILE  58          2HD1      ILE  58   7.227  -4.165   2.841
  447   3HD1  ILE  58          3HD1      ILE  58   5.905  -3.059   2.466
  448    H    LYS  59           H        LYS  59   7.989   1.273   6.781
  449    HA   LYS  59           HA       LYS  59   9.106   0.165   9.238
  450   1HB   LYS  59          2HB       LYS  59   9.779   2.414   8.317
  451   2HB   LYS  59          1HB       LYS  59   8.182   2.989   8.772
  452   1HG   LYS  59          2HG       LYS  59   8.841   2.021  11.116
  453   2HG   LYS  59          1HG       LYS  59  10.481   2.215  10.492
  454   1HD   LYS  59          2HD       LYS  59   9.828   4.593   9.906
  455   2HD   LYS  59          1HD       LYS  59   8.373   4.330  10.870
  456   1HE   LYS  59          2HE       LYS  59  10.279   3.465  12.586
  457   2HE   LYS  59          1HE       LYS  59  11.168   4.714  11.715
  458   1HZ   LYS  59          1HZ       LYS  59   9.635   5.210  13.824
  459   2HZ   LYS  59          2HZ       LYS  59   8.494   5.432  12.596
  460   3HZ   LYS  59          3HZ       LYS  59   9.917   6.345  12.601
  461    H    LYS  60           H        LYS  60   5.995   1.555   8.126
  462    HA   LYS  60           HA       LYS  60   4.770   0.241  10.420
  463   1HB   LYS  60          2HB       LYS  60   3.731   2.163  11.323
  464   2HB   LYS  60          1HB       LYS  60   5.428   2.570  11.112
  465   1HG   LYS  60          2HG       LYS  60   3.204   3.353   9.238
  466   2HG   LYS  60          1HG       LYS  60   3.942   4.400  10.452
  467   1HD   LYS  60          2HD       LYS  60   6.111   3.445   9.054
  468   2HD   LYS  60          1HD       LYS  60   4.888   3.652   7.796
  469   1HE   LYS  60          2HE       LYS  60   6.204   5.681   8.057
  470   2HE   LYS  60          1HE       LYS  60   4.531   5.960   8.538
  471   1HZ   LYS  60          1HZ       LYS  60   6.669   6.636  10.009
  472   2HZ   LYS  60          2HZ       LYS  60   6.279   5.136  10.685
  473   3HZ   LYS  60          3HZ       LYS  60   5.123   6.369  10.643
  474    H    LEU  61           H        LEU  61   2.736  -0.393  10.164
  475    HA   LEU  61           HA       LEU  61   1.182   0.535   7.877
  476   1HB   LEU  61          2HB       LEU  61   1.567  -2.382   8.550
  477   2HB   LEU  61          1HB       LEU  61   0.571  -1.735   7.257
  478    HG   LEU  61           HG       LEU  61   2.959  -0.668   6.576
  479   1HD1  LEU  61          1HD1      LEU  61   4.483  -2.787   6.805
  480   2HD1  LEU  61          2HD1      LEU  61   3.504  -3.065   8.246
  481   3HD1  LEU  61          3HD1      LEU  61   4.422  -1.568   8.078
  482   1HD2  LEU  61          1HD2      LEU  61   1.679  -3.285   5.880
  483   2HD2  LEU  61          2HD2      LEU  61   3.175  -2.763   5.105
  484   3HD2  LEU  61          3HD2      LEU  61   1.716  -1.783   4.956
  485    H    TYR  62           H        TYR  62  -0.975   0.780   8.361
  486    HA   TYR  62           HA       TYR  62  -1.768  -0.045  11.073
  487   1HB   TYR  62          2HB       TYR  62  -1.643   2.409  10.560
  488   2HB   TYR  62          1HB       TYR  62  -2.971   2.179   9.428
  489    HD1  TYR  62           1HD      TYR  62  -2.033   2.593  12.889
  490    HD2  TYR  62           2HD      TYR  62  -5.203   1.446  10.295
  491    HE1  TYR  62           1HE      TYR  62  -3.640   2.906  14.725
  492    HE2  TYR  62           2HE      TYR  62  -6.820   1.756  12.123
  493    HH   TYR  62           HH       TYR  62  -6.751   3.316  14.394
  494    H    TYR  63           H        TYR  63  -2.923   0.093   7.723
  495    HA   TYR  63           HA       TYR  63  -5.418  -1.181   8.463
  496   1HB   TYR  63          2HB       TYR  63  -4.358  -0.450   5.729
  497   2HB   TYR  63          1HB       TYR  63  -5.991  -0.999   6.084
  498    HD1  TYR  63           1HD      TYR  63  -3.583   1.716   6.951
  499    HD2  TYR  63           2HD      TYR  63  -7.658   0.567   6.543
  500    HE1  TYR  63           1HE      TYR  63  -4.268   4.039   7.349
  501    HE2  TYR  63           2HE      TYR  63  -8.354   2.894   6.944
  502    HH   TYR  63           HH       TYR  63  -7.036   5.002   8.303
  503    H    ASN  64           H        ASN  64  -5.950  -3.254   8.234
  504    HA   ASN  64           HA       ASN  64  -3.937  -5.085   7.113
  505   1HB   ASN  64          2HB       ASN  64  -5.951  -5.544   9.321
  506   2HB   ASN  64          1HB       ASN  64  -4.903  -6.794   8.653
  507   1HD2  ASN  64          1HD2      ASN  64  -5.043  -5.868  11.369
  508   2HD2  ASN  64          2HD2      ASN  64  -3.480  -5.252  11.772
  509    H    LEU  65           H        LEU  65  -5.260  -7.357   6.912
  510    HA   LEU  65           HA       LEU  65  -6.628  -7.263   4.533
  511   1HB   LEU  65          2HB       LEU  65  -6.561  -9.275   6.759
  512   2HB   LEU  65          1HB       LEU  65  -7.446  -9.568   5.282
  513    HG   LEU  65           HG       LEU  65  -4.870  -8.778   4.485
  514   1HD1  LEU  65          1HD1      LEU  65  -3.567  -9.297   6.221
  515   2HD1  LEU  65          2HD1      LEU  65  -3.899 -10.976   5.795
  516   3HD1  LEU  65          3HD1      LEU  65  -4.856 -10.177   7.043
  517   1HD2  LEU  65          1HD2      LEU  65  -5.464 -11.655   4.564
  518   2HD2  LEU  65          2HD2      LEU  65  -5.038 -10.618   3.202
  519   3HD2  LEU  65          3HD2      LEU  65  -6.697 -10.652   3.800
  520    H    ASP  66           H        ASP  66  -7.853  -6.717   7.743
  521    HA   ASP  66           HA       ASP  66 -10.616  -7.000   6.812
  522   1HB   ASP  66          2HB       ASP  66  -9.292  -7.046   9.472
  523   2HB   ASP  66          1HB       ASP  66 -10.948  -6.450   9.402
  524    H    ASP  67           H        ASP  67  -8.327  -4.555   7.774
  525    HA   ASP  67           HA       ASP  67 -10.286  -2.537   8.284
  526   1HB   ASP  67          2HB       ASP  67  -7.371  -2.122   7.631
  527   2HB   ASP  67          1HB       ASP  67  -8.446  -1.002   8.459
  528    H    ILE  68           H        ILE  68 -10.737  -0.684   7.091
  529    HA   ILE  68           HA       ILE  68 -10.458  -1.001   4.172
  530    HB   ILE  68           HB       ILE  68 -12.391   0.953   5.293
  531   1HG1  ILE  68          2HG1      ILE  68 -12.684  -1.131   6.683
  532   2HG1  ILE  68          1HG1      ILE  68 -14.103  -0.659   5.750
  533   1HG2  ILE  68          1HG2      ILE  68 -13.600   0.491   3.330
  534   2HG2  ILE  68          2HG2      ILE  68 -12.765  -1.038   3.080
  535   3HG2  ILE  68          3HG2      ILE  68 -11.902   0.486   2.844
  536   1HD1  ILE  68          1HD1      ILE  68 -12.333  -2.489   4.348
  537   2HD1  ILE  68          2HD1      ILE  68 -14.082  -2.544   4.563
  538   3HD1  ILE  68          3HD1      ILE  68 -13.016  -3.154   5.830
  539    H    ALA  69           H        ALA  69  -9.708   0.668   2.948
  540    HA   ALA  69           HA       ALA  69  -8.548   2.903   4.461
  541   1HB   ALA  69          1HB       ALA  69  -7.700   1.927   1.743
  542   2HB   ALA  69          2HB       ALA  69  -6.964   1.402   3.255
  543   3HB   ALA  69          3HB       ALA  69  -6.871   3.095   2.769
  544    H    TYR  70           H        TYR  70  -8.778   4.979   3.755
  545    HA   TYR  70           HA       TYR  70 -10.990   5.460   1.882
  546   1HB   TYR  70          2HB       TYR  70 -11.008   6.272   4.351
  547   2HB   TYR  70          1HB       TYR  70  -9.866   7.491   3.801
  548    HD1  TYR  70           1HD      TYR  70 -13.256   6.787   4.325
  549    HD2  TYR  70           2HD      TYR  70 -10.657   8.834   1.656
  550    HE1  TYR  70           1HE      TYR  70 -15.131   8.199   3.595
  551    HE2  TYR  70           2HE      TYR  70 -12.522  10.253   0.916
  552    HH   TYR  70           HH       TYR  70 -14.704  11.023   1.775
  553    H    VAL  71           H        VAL  71 -10.777   7.051   0.260
  554    HA   VAL  71           HA       VAL  71  -8.101   7.327  -0.763
  555    HB   VAL  71           HB       VAL  71 -10.577   8.626  -1.885
  556   1HG1  VAL  71          1HG1      VAL  71  -9.346   9.107  -3.698
  557   2HG1  VAL  71          2HG1      VAL  71  -8.509   7.556  -3.663
  558   3HG1  VAL  71          3HG1      VAL  71  -7.967   8.874  -2.624
  559   1HG2  VAL  71          1HG2      VAL  71  -9.864   6.169  -3.196
  560   2HG2  VAL  71          2HG2      VAL  71 -11.410   6.659  -2.504
  561   3HG2  VAL  71          3HG2      VAL  71 -10.196   5.879  -1.489
  562    H    GLY  72           H        GLY  72  -6.757   9.000  -0.500
  563   1HA   GLY  72          2HA       GLY  72  -6.576  11.473  -0.653
  564   2HA   GLY  72          1HA       GLY  72  -7.911  11.537   0.484
  565    H    LYS  73           H        LYS  73  -5.857   9.006   1.310
  566    HA   LYS  73           HA       LYS  73  -4.005  10.632   2.835
  567   1HB   LYS  73          2HB       LYS  73  -6.418   9.643   4.000
  568   2HB   LYS  73          1HB       LYS  73  -5.059   8.791   4.722
  569   1HG   LYS  73          2HG       LYS  73  -4.089  11.248   4.899
  570   2HG   LYS  73          1HG       LYS  73  -5.806  11.656   4.872
  571   1HD   LYS  73          2HD       LYS  73  -5.892  11.181   7.042
  572   2HD   LYS  73          1HD       LYS  73  -5.560   9.495   6.640
  573   1HE   LYS  73          2HE       LYS  73  -3.805   9.852   8.032
  574   2HE   LYS  73          1HE       LYS  73  -3.069  10.435   6.540
  575   1HZ   LYS  73          1HZ       LYS  73  -4.378  12.118   8.608
  576   2HZ   LYS  73          2HZ       LYS  73  -3.709  12.690   7.164
  577   3HZ   LYS  73          3HZ       LYS  73  -2.712  11.990   8.338
  578    HA   PRO  74           HA       PRO  74  -1.277   7.313   1.656
  579   1HB   PRO  74          2HB       PRO  74  -0.049   8.076   4.280
  580   2HB   PRO  74          1HB       PRO  74   0.731   7.777   2.720
  581   1HG   PRO  74          2HG       PRO  74   0.359  10.262   3.531
  582   2HG   PRO  74          1HG       PRO  74   0.042   9.824   1.839
  583   1HD   PRO  74          2HD       PRO  74  -1.891  10.345   4.056
  584   2HD   PRO  74          1HD       PRO  74  -2.022  10.731   2.328
  585    H    LEU  75           H        LEU  75  -0.471   5.266   2.506
  586    HA   LEU  75           HA       LEU  75  -2.193   4.188   4.645
  587   1HB   LEU  75          2HB       LEU  75  -2.680   3.424   2.296
  588   2HB   LEU  75          1HB       LEU  75  -1.089   2.705   2.261
  589    HG   LEU  75           HG       LEU  75  -2.033   0.817   2.949
  590   1HD1  LEU  75          1HD1      LEU  75  -2.516   2.364   5.479
  591   2HD1  LEU  75          2HD1      LEU  75  -1.175   1.281   5.108
  592   3HD1  LEU  75          3HD1      LEU  75  -2.798   0.632   5.326
  593   1HD2  LEU  75          1HD2      LEU  75  -4.197   2.064   2.237
  594   2HD2  LEU  75          2HD2      LEU  75  -4.531   2.073   3.970
  595   3HD2  LEU  75          3HD2      LEU  75  -4.298   0.543   3.124
  596    H    VAL  76           H        VAL  76   0.898   3.685   2.939
  597    HA   VAL  76           HA       VAL  76   2.133   2.999   5.516
  598    HB   VAL  76           HB       VAL  76   1.566   0.845   4.570
  599   1HG1  VAL  76          1HG1      VAL  76   1.376   0.680   2.359
  600   2HG1  VAL  76          2HG1      VAL  76   3.134   0.563   2.295
  601   3HG1  VAL  76          3HG1      VAL  76   2.347   2.129   2.099
  602   1HG2  VAL  76          1HG2      VAL  76   3.668  -0.196   4.707
  603   2HG2  VAL  76          2HG2      VAL  76   3.835   1.273   5.667
  604   3HG2  VAL  76          3HG2      VAL  76   4.502   1.206   4.037
  605    H    ASP  77           H        ASP  77   4.495   3.085   5.480
  606    HA   ASP  77           HA       ASP  77   5.521   4.805   3.322
  607   1HB   ASP  77          2HB       ASP  77   6.718   4.819   6.063
  608   2HB   ASP  77          1HB       ASP  77   6.743   6.081   4.837
  609    H    ILE  78           H        ILE  78   7.014   3.857   2.132
  610    HA   ILE  78           HA       ILE  78   8.819   1.898   3.384
  611    HB   ILE  78           HB       ILE  78   7.957   1.508   0.549
  612   1HG1  ILE  78          2HG1      ILE  78   6.294  -0.219   1.688
  613   2HG1  ILE  78          1HG1      ILE  78   6.320   0.970   2.988
  614   1HG2  ILE  78          1HG2      ILE  78   8.434  -0.844   1.092
  615   2HG2  ILE  78          2HG2      ILE  78   8.851  -0.359   2.735
  616   3HG2  ILE  78          3HG2      ILE  78   9.818   0.212   1.377
  617   1HD1  ILE  78          1HD1      ILE  78   4.750   1.000   0.689
  618   2HD1  ILE  78          2HD1      ILE  78   5.954   2.268   0.457
  619   3HD1  ILE  78          3HD1      ILE  78   4.924   2.280   1.889
  620    H    GLU  79           H        GLU  79  10.930   1.782   2.473
  621    HA   GLU  79           HA       GLU  79  11.617   4.181   0.930
  622   1HB   GLU  79          2HB       GLU  79  12.858   2.817   3.103
  623   2HB   GLU  79          1HB       GLU  79  13.939   2.723   1.719
  624   1HG   GLU  79          2HG       GLU  79  14.137   5.041   1.565
  625   2HG   GLU  79          1HG       GLU  79  12.708   5.318   2.559
  626    H    THR  80           H        THR  80  11.706   3.927  -1.168
  627    HA   THR  80           HA       THR  80  13.121   1.641  -2.309
  628    HB   THR  80           HB       THR  80  11.240   1.730  -4.163
  629    HG1  THR  80           1HG      THR  80   9.616   2.923  -3.533
  630   1HG2  THR  80          1HG2      THR  80  10.266   0.263  -1.799
  631   2HG2  THR  80          2HG2      THR  80  11.937  -0.062  -2.262
  632   3HG2  THR  80          3HG2      THR  80  10.635  -0.318  -3.423
  633    H    GLU  81           H        GLU  81  13.807   2.021  -4.539
  634    HA   GLU  81           HA       GLU  81  14.870   4.571  -4.944
  635   1HB   GLU  81          2HB       GLU  81  14.981   2.072  -6.244
  636   2HB   GLU  81          1HB       GLU  81  14.456   3.226  -7.462
  637   1HG   GLU  81          2HG       GLU  81  16.447   4.260  -7.534
  638   2HG   GLU  81          1HG       GLU  81  16.711   4.103  -5.798
  639    H    ALA  82           H        ALA  82  14.340   6.189  -6.528
  640    HA   ALA  82           HA       ALA  82  11.905   7.308  -6.440
  641   1HB   ALA  82          1HB       ALA  82  12.553   8.725  -8.111
  642   2HB   ALA  82          2HB       ALA  82  13.238   7.432  -9.095
  643   3HB   ALA  82          3HB       ALA  82  14.111   8.019  -7.679
  644    H    LEU  83           H        LEU  83   9.930   6.578  -6.826
  645    HA   LEU  83           HA       LEU  83   9.504   4.832  -9.160
  646   1HB   LEU  83          2HB       LEU  83   8.676   4.588  -6.383
  647   2HB   LEU  83          1HB       LEU  83   7.319   4.476  -7.489
  648    HG   LEU  83           HG       LEU  83   8.538   2.679  -8.720
  649   1HD1  LEU  83          1HD1      LEU  83  10.801   3.384  -7.919
  650   2HD1  LEU  83          2HD1      LEU  83  10.475   1.656  -7.783
  651   3HD1  LEU  83          3HD1      LEU  83  10.397   2.684  -6.352
  652   1HD2  LEU  83          1HD2      LEU  83   8.499   1.289  -6.284
  653   2HD2  LEU  83          2HD2      LEU  83   7.207   1.407  -7.478
  654   3HD2  LEU  83          3HD2      LEU  83   7.282   2.557  -6.143
  655    H    LYS  84           H        LYS  84   7.727   5.176 -10.462
  656    HA   LYS  84           HA       LYS  84   6.887   7.850 -10.776
  657   1HB   LYS  84          2HB       LYS  84   5.592   7.071 -12.620
  658   2HB   LYS  84          1HB       LYS  84   7.072   6.122 -12.592
  659   1HG   LYS  84          2HG       LYS  84   5.426   4.570 -11.094
  660   2HG   LYS  84          1HG       LYS  84   4.287   5.288 -12.235
  661   1HD   LYS  84          2HD       LYS  84   6.860   3.951 -13.058
  662   2HD   LYS  84          1HD       LYS  84   5.309   3.114 -12.972
  663   1HE   LYS  84          2HE       LYS  84   4.776   3.860 -14.994
  664   2HE   LYS  84          1HE       LYS  84   4.954   5.525 -14.441
  665   1HZ   LYS  84          1HZ       LYS  84   7.031   3.784 -15.638
  666   2HZ   LYS  84          2HZ       LYS  84   7.394   5.241 -14.861
  667   3HZ   LYS  84          3HZ       LYS  84   6.423   5.242 -16.245
  668    H    ASP  85           H        ASP  85   5.619   5.246  -8.909
  669    HA   ASP  85           HA       ASP  85   2.959   5.524  -8.733
  670   1HB   ASP  85          2HB       ASP  85   5.050   4.781  -6.862
  671   2HB   ASP  85          1HB       ASP  85   3.670   5.501  -6.039
  672    H    LEU  86           H        LEU  86   5.216   7.688  -7.012
  673    HA   LEU  86           HA       LEU  86   2.995   9.611  -6.763
  674   1HB   LEU  86          2HB       LEU  86   5.341   9.660  -4.914
  675   2HB   LEU  86          1HB       LEU  86   3.728  10.295  -4.667
  676    HG   LEU  86           HG       LEU  86   3.966   7.350  -4.937
  677   1HD1  LEU  86          1HD1      LEU  86   5.905   8.111  -3.502
  678   2HD1  LEU  86          2HD1      LEU  86   4.778   6.977  -2.756
  679   3HD1  LEU  86          3HD1      LEU  86   4.702   8.691  -2.350
  680   1HD2  LEU  86          1HD2      LEU  86   1.936   7.421  -4.028
  681   2HD2  LEU  86          2HD2      LEU  86   2.004   9.177  -4.160
  682   3HD2  LEU  86          3HD2      LEU  86   2.511   8.385  -2.668
  683    H    GLU  87           H        GLU  87   6.286   9.091  -7.732
  684    HA   GLU  87           HA       GLU  87   6.338  11.787  -8.854
  685   1HB   GLU  87          2HB       GLU  87   8.871  10.812  -7.629
  686   2HB   GLU  87          1HB       GLU  87   8.301  12.457  -7.866
  687   1HG   GLU  87          2HG       GLU  87   6.793  12.254  -6.001
  688   2HG   GLU  87          1HG       GLU  87   7.210  10.551  -5.806
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  18.327   9.091   1.246
    2   2H    MET   1          2HT       MET   1  17.506  10.164   2.264
    3   3H    MET   1          3HT       MET   1  17.081   8.527   2.242
    4    HA   MET   1           HA       MET   1  19.568   8.193   2.899
    5   1HB   MET   1          2HB       MET   1  19.753  10.778   2.664
    6   2HB   MET   1          1HB       MET   1  18.996  10.816   4.251
    7   1HG   MET   1          2HG       MET   1  20.904   9.125   4.855
    8   2HG   MET   1          1HG       MET   1  21.694   9.849   3.456
    9   1HE   MET   1          1HE       MET   1  23.843  11.324   4.984
   10   2HE   MET   1          2HE       MET   1  23.213   9.823   5.663
   11   3HE   MET   1          3HE       MET   1  23.373  11.254   6.682
   12    H    GLY   2           H        GLY   2  17.864   6.622   3.610
   13   1HA   GLY   2          2HA       GLY   2  17.207   5.443   5.508
   14   2HA   GLY   2          1HA       GLY   2  17.538   6.867   6.479
   15    H    GLN   3           H        GLN   3  15.676   7.955   3.994
   16    HA   GLN   3           HA       GLN   3  13.336   8.077   5.680
   17   1HB   GLN   3          2HB       GLN   3  13.623   9.101   2.857
   18   2HB   GLN   3          1HB       GLN   3  12.449   9.606   4.064
   19   1HG   GLN   3          2HG       GLN   3  14.116  10.697   5.352
   20   2HG   GLN   3          1HG       GLN   3  15.410   9.987   4.389
   21   1HE2  GLN   3          1HE2      GLN   3  16.128  12.194   4.138
   22   2HE2  GLN   3          2HE2      GLN   3  15.418  13.185   2.914
   23    H    VAL   4           H        VAL   4  11.231   7.403   5.060
   24    HA   VAL   4           HA       VAL   4  11.229   5.157   3.153
   25    HB   VAL   4           HB       VAL   4   9.531   4.052   4.470
   26   1HG1  VAL   4          1HG1      VAL   4  11.188   4.528   6.762
   27   2HG1  VAL   4          2HG1      VAL   4  12.174   4.461   5.301
   28   3HG1  VAL   4          3HG1      VAL   4  11.109   3.115   5.708
   29   1HG2  VAL   4          1HG2      VAL   4   8.149   5.539   5.489
   30   2HG2  VAL   4          2HG2      VAL   4   9.461   6.639   5.916
   31   3HG2  VAL   4          3HG2      VAL   4   9.197   5.172   6.860
   32    H    VAL   5           H        VAL   5   9.473   4.867   1.824
   33    HA   VAL   5           HA       VAL   5   7.809   7.239   1.386
   34    HB   VAL   5           HB       VAL   5   7.230   6.160  -0.778
   35   1HG1  VAL   5          1HG1      VAL   5   9.556   7.457  -0.086
   36   2HG1  VAL   5          2HG1      VAL   5   8.989   7.154  -1.729
   37   3HG1  VAL   5          3HG1      VAL   5  10.132   6.044  -0.972
   38   1HG2  VAL   5          1HG2      VAL   5   7.506   3.825  -0.109
   39   2HG2  VAL   5          2HG2      VAL   5   9.243   4.072   0.064
   40   3HG2  VAL   5          3HG2      VAL   5   8.493   4.190  -1.527
   41    H    GLN   6           H        GLN   6   5.723   7.221   1.961
   42    HA   GLN   6           HA       GLN   6   4.595   4.697   2.915
   43   1HB   GLN   6          2HB       GLN   6   3.868   7.574   3.434
   44   2HB   GLN   6          1HB       GLN   6   2.893   6.221   3.990
   45   1HG   GLN   6          2HG       GLN   6   4.176   5.975   5.761
   46   2HG   GLN   6          1HG       GLN   6   5.600   5.769   4.743
   47   1HE2  GLN   6          1HE2      GLN   6   5.940   8.187   3.621
   48   2HE2  GLN   6          2HE2      GLN   6   6.232   9.390   4.823
   49    H    PHE   7           H        PHE   7   2.649   3.892   2.285
   50    HA   PHE   7           HA       PHE   7   1.468   5.092  -0.124
   51   1HB   PHE   7          2HB       PHE   7   2.297   2.977  -0.765
   52   2HB   PHE   7          1HB       PHE   7   1.803   2.224   0.746
   53    HD1  PHE   7           1HD      PHE   7   0.430   3.788  -2.333
   54    HD2  PHE   7           2HD      PHE   7  -0.186   1.048   0.861
   55    HE1  PHE   7           1HE      PHE   7  -1.651   3.024  -3.396
   56    HE2  PHE   7           2HE      PHE   7  -2.265   0.278  -0.193
   57    HZ   PHE   7           HZ       PHE   7  -3.003   1.264  -2.328
   58    H    LYS   8           H        LYS   8  -0.698   5.469  -0.175
   59    HA   LYS   8           HA       LYS   8  -2.259   4.766   2.219
   60   1HB   LYS   8          2HB       LYS   8  -3.267   6.925   2.269
   61   2HB   LYS   8          1HB       LYS   8  -1.531   7.185   2.151
   62   1HG   LYS   8          2HG       LYS   8  -1.789   7.544  -0.281
   63   2HG   LYS   8          1HG       LYS   8  -3.536   7.398  -0.084
   64   1HD   LYS   8          2HD       LYS   8  -3.095   9.713  -0.075
   65   2HD   LYS   8          1HD       LYS   8  -3.348   9.279   1.616
   66   1HE   LYS   8          2HE       LYS   8  -1.241   9.792   2.187
   67   2HE   LYS   8          1HE       LYS   8  -0.569   9.054   0.734
   68   1HZ   LYS   8          1HZ       LYS   8  -1.619  11.795   1.080
   69   2HZ   LYS   8          2HZ       LYS   8  -1.455  11.103  -0.455
   70   3HZ   LYS   8          3HZ       LYS   8  -0.095  11.310   0.530
   71    H    LEU   9           H        LEU   9  -4.396   4.222   1.908
   72    HA   LEU   9           HA       LEU   9  -5.206   2.879  -0.324
   73   1HB   LEU   9          2HB       LEU   9  -6.348   2.819   1.832
   74   2HB   LEU   9          1HB       LEU   9  -6.928   4.449   1.596
   75    HG   LEU   9           HG       LEU   9  -8.649   2.690   1.236
   76   1HD1  LEU   9          1HD1      LEU   9  -9.717   3.878  -0.378
   77   2HD1  LEU   9          2HD1      LEU   9  -8.280   4.005  -1.394
   78   3HD1  LEU   9          3HD1      LEU   9  -8.437   5.016   0.040
   79   1HD2  LEU   9          1HD2      LEU   9  -8.094   1.869  -1.369
   80   2HD2  LEU   9          2HD2      LEU   9  -8.154   0.883   0.097
   81   3HD2  LEU   9          3HD2      LEU   9  -6.621   1.575  -0.441
   82    H    SER  10           H        SER  10  -5.412   3.516  -2.373
   83    HA   SER  10           HA       SER  10  -6.782   6.041  -2.933
   84   1HB   SER  10          2HB       SER  10  -4.765   5.839  -4.889
   85   2HB   SER  10          1HB       SER  10  -4.899   7.042  -3.606
   86    HG   SER  10           HG       SER  10  -2.912   5.969  -3.476
   87    H    ASP  11           H        ASP  11  -8.409   5.654  -4.224
   88    HA   ASP  11           HA       ASP  11  -8.276   4.499  -6.731
   89   1HB   ASP  11          2HB       ASP  11  -9.676   2.395  -6.240
   90   2HB   ASP  11          1HB       ASP  11  -7.949   2.327  -5.915
   91    H    ILE  12           H        ILE  12 -10.238   5.127  -3.885
   92    HA   ILE  12           HA       ILE  12 -12.495   5.837  -5.642
   93    HB   ILE  12           HB       ILE  12 -13.684   5.960  -3.283
   94   1HG1  ILE  12          2HG1      ILE  12 -11.456   5.365  -2.158
   95   2HG1  ILE  12          1HG1      ILE  12 -12.886   4.483  -1.635
   96   1HG2  ILE  12          1HG2      ILE  12 -14.387   3.591  -3.598
   97   2HG2  ILE  12          2HG2      ILE  12 -13.141   3.441  -4.837
   98   3HG2  ILE  12          3HG2      ILE  12 -14.472   4.577  -5.058
   99   1HD1  ILE  12          1HD1      ILE  12 -12.068   2.526  -2.323
  100   2HD1  ILE  12          2HD1      ILE  12 -10.511   3.358  -2.317
  101   3HD1  ILE  12          3HD1      ILE  12 -11.427   3.205  -3.818
  102    H    GLY  13           H        GLY  13 -13.884   7.654  -4.547
  103   1HA   GLY  13          2HA       GLY  13 -12.234   9.985  -4.481
  104   2HA   GLY  13          1HA       GLY  13 -13.974   9.938  -4.232
  105    H    GLU  14           H        GLU  14 -11.674  11.305  -2.808
  106    HA   GLU  14           HA       GLU  14 -11.393  10.156  -0.246
  107   1HB   GLU  14          2HB       GLU  14 -10.530  12.363   0.426
  108   2HB   GLU  14          1HB       GLU  14  -9.814  11.802  -1.078
  109   1HG   GLU  14          2HG       GLU  14 -12.043  13.279  -1.850
  110   2HG   GLU  14          1HG       GLU  14 -11.314  14.197  -0.534
  111    H    GLY  15           H        GLY  15 -13.655   9.576   0.175
  112   1HA   GLY  15          2HA       GLY  15 -14.889  10.853   2.165
  113   2HA   GLY  15          1HA       GLY  15 -15.467  11.773   0.785
  114    H    ILE  16           H        ILE  16 -15.286   9.150  -0.793
  115    HA   ILE  16           HA       ILE  16 -18.013   8.347  -0.249
  116    HB   ILE  16           HB       ILE  16 -17.935   7.166  -2.320
  117   1HG1  ILE  16          2HG1      ILE  16 -15.243   7.664  -3.198
  118   2HG1  ILE  16          1HG1      ILE  16 -15.201   6.772  -1.681
  119   1HG2  ILE  16          1HG2      ILE  16 -18.238   9.273  -3.038
  120   2HG2  ILE  16          2HG2      ILE  16 -16.631   9.050  -3.730
  121   3HG2  ILE  16          3HG2      ILE  16 -16.818   9.882  -2.186
  122   1HD1  ILE  16          1HD1      ILE  16 -17.161   5.533  -3.251
  123   2HD1  ILE  16          2HD1      ILE  16 -15.560   4.924  -2.831
  124   3HD1  ILE  16          3HD1      ILE  16 -15.791   5.841  -4.319
  125    H    ARG  17           H        ARG  17 -17.886   5.673  -1.150
  126    HA   ARG  17           HA       ARG  17 -17.470   4.278   1.230
  127   1HB   ARG  17          2HB       ARG  17 -18.741   3.697  -1.053
  128   2HB   ARG  17          1HB       ARG  17 -17.256   2.803  -1.344
  129   1HG   ARG  17          2HG       ARG  17 -18.859   1.325  -0.374
  130   2HG   ARG  17          1HG       ARG  17 -17.598   1.636   0.820
  131   1HD   ARG  17          2HD       ARG  17 -19.373   3.613   1.391
  132   2HD   ARG  17          1HD       ARG  17 -20.453   2.327   0.854
  133    HE   ARG  17           HE       ARG  17 -18.960   2.414   3.293
  134   1HH1  ARG  17          1HH1      ARG  17 -20.354   0.300   0.902
  135   2HH1  ARG  17          2HH1      ARG  17 -20.519  -1.037   1.991
  136   1HH2  ARG  17          1HH2      ARG  17 -19.174   0.658   4.738
  137   2HH2  ARG  17          2HH2      ARG  17 -19.849  -0.833   4.171
  138    H    GLU  18           H        GLU  18 -15.889   2.713   1.788
  139    HA   GLU  18           HA       GLU  18 -13.234   3.374   0.744
  140   1HB   GLU  18          2HB       GLU  18 -14.117   1.993   3.281
  141   2HB   GLU  18          1HB       GLU  18 -12.436   2.222   2.818
  142   1HG   GLU  18          2HG       GLU  18 -12.451   4.245   3.713
  143   2HG   GLU  18          1HG       GLU  18 -13.749   4.729   2.619
  144    H    VAL  19           H        VAL  19 -11.645   1.362   0.879
  145    HA   VAL  19           HA       VAL  19 -13.091  -0.930  -0.302
  146    HB   VAL  19           HB       VAL  19 -11.991   0.448  -2.049
  147   1HG1  VAL  19          1HG1      VAL  19  -9.504   0.223  -2.237
  148   2HG1  VAL  19          2HG1      VAL  19  -9.502  -0.382  -0.580
  149   3HG1  VAL  19          3HG1      VAL  19 -10.062   1.256  -0.920
  150   1HG2  VAL  19          1HG2      VAL  19 -12.269  -2.192  -1.961
  151   2HG2  VAL  19          2HG2      VAL  19 -10.509  -2.122  -2.053
  152   3HG2  VAL  19          3HG2      VAL  19 -11.489  -1.376  -3.316
  153    H    THR  20           H        THR  20 -12.178  -2.975  -0.122
  154    HA   THR  20           HA       THR  20 -10.422  -3.291   2.203
  155    HB   THR  20           HB       THR  20 -11.581  -5.690   0.921
  156    HG1  THR  20           1HG      THR  20 -13.610  -5.135   1.141
  157   1HG2  THR  20          1HG2      THR  20 -10.310  -5.750   3.038
  158   2HG2  THR  20          2HG2      THR  20 -11.957  -6.353   3.223
  159   3HG2  THR  20          3HG2      THR  20 -11.543  -4.735   3.784
  160    H    VAL  21           H        VAL  21  -8.663  -4.769   2.139
  161    HA   VAL  21           HA       VAL  21  -7.249  -4.720  -0.379
  162    HB   VAL  21           HB       VAL  21  -6.369  -6.125   2.143
  163   1HG1  VAL  21          1HG1      VAL  21  -5.095  -5.325  -0.414
  164   2HG1  VAL  21          2HG1      VAL  21  -4.822  -6.748   0.592
  165   3HG1  VAL  21          3HG1      VAL  21  -4.127  -5.194   1.054
  166   1HG2  VAL  21          1HG2      VAL  21  -6.524  -4.086   3.096
  167   2HG2  VAL  21          2HG2      VAL  21  -6.594  -3.251   1.545
  168   3HG2  VAL  21          3HG2      VAL  21  -5.040  -3.768   2.198
  169    H    LYS  22           H        LYS  22  -7.060  -6.340  -1.815
  170    HA   LYS  22           HA       LYS  22  -8.579  -8.768  -1.318
  171   1HB   LYS  22          2HB       LYS  22  -8.648  -7.339  -3.469
  172   2HB   LYS  22          1HB       LYS  22  -7.128  -8.127  -3.869
  173   1HG   LYS  22          2HG       LYS  22  -8.637  -9.478  -4.939
  174   2HG   LYS  22          1HG       LYS  22  -8.458 -10.317  -3.397
  175   1HD   LYS  22          2HD       LYS  22 -10.484  -9.181  -2.572
  176   2HD   LYS  22          1HD       LYS  22 -10.671  -8.406  -4.147
  177   1HE   LYS  22          2HE       LYS  22 -10.361 -11.297  -4.330
  178   2HE   LYS  22          1HE       LYS  22 -11.765 -10.818  -3.377
  179   1HZ   LYS  22          1HZ       LYS  22 -11.251  -9.598  -6.014
  180   2HZ   LYS  22          2HZ       LYS  22 -12.712  -9.729  -5.171
  181   3HZ   LYS  22          3HZ       LYS  22 -12.029 -11.096  -5.895
  182    H    GLU  23           H        GLU  23  -5.239  -7.791  -1.911
  183    HA   GLU  23           HA       GLU  23  -4.403 -10.457  -1.035
  184   1HB   GLU  23          2HB       GLU  23  -3.502  -9.070  -3.553
  185   2HB   GLU  23          1HB       GLU  23  -2.562 -10.349  -2.797
  186   1HG   GLU  23          2HG       GLU  23  -4.411 -11.899  -3.072
  187   2HG   GLU  23          1HG       GLU  23  -5.396 -10.618  -3.778
  188    H    TRP  24           H        TRP  24  -2.527 -10.544   0.117
  189    HA   TRP  24           HA       TRP  24  -1.040  -8.043   0.541
  190   1HB   TRP  24          2HB       TRP  24  -2.495  -9.685   2.544
  191   2HB   TRP  24          1HB       TRP  24  -0.909  -9.094   3.023
  192    HD1  TRP  24           HD       TRP  24  -4.460  -8.051   2.795
  193    HE1  TRP  24           1HE      TRP  24  -4.693  -5.554   3.353
  194    HE3  TRP  24           3HE      TRP  24   0.472  -6.713   2.625
  195    HZ2  TRP  24           2HZ      TRP  24  -3.017  -3.311   3.679
  196    HZ3  TRP  24           3HZ      TRP  24   1.070  -4.367   3.070
  197    HH2  TRP  24           HH       TRP  24  -0.639  -2.703   3.588
  198    H    TYR  25           H        TYR  25   1.015  -8.413  -0.014
  199    HA   TYR  25           HA       TYR  25   2.110 -11.115   0.444
  200   1HB   TYR  25          2HB       TYR  25   2.063  -9.452  -1.901
  201   2HB   TYR  25          1HB       TYR  25   3.730  -9.758  -1.428
  202    HD1  TYR  25           1HD      TYR  25   4.448 -12.186  -1.100
  203    HD2  TYR  25           2HD      TYR  25   0.824 -11.081  -3.034
  204    HE1  TYR  25           1HE      TYR  25   4.343 -14.404  -2.155
  205    HE2  TYR  25           2HE      TYR  25   0.706 -13.296  -4.094
  206    HH   TYR  25           HH       TYR  25   1.828 -15.211  -4.506
  207    H    VAL  26           H        VAL  26   2.142  -8.846   2.351
  208    HA   VAL  26           HA       VAL  26   4.969  -8.964   2.937
  209    HB   VAL  26           HB       VAL  26   5.418  -6.625   2.994
  210   1HG1  VAL  26          1HG1      VAL  26   5.632  -7.702   0.804
  211   2HG1  VAL  26          2HG1      VAL  26   5.205  -5.998   0.662
  212   3HG1  VAL  26          3HG1      VAL  26   3.977  -7.233   0.417
  213   1HG2  VAL  26          1HG2      VAL  26   3.390  -5.204   1.895
  214   2HG2  VAL  26          2HG2      VAL  26   3.676  -5.344   3.629
  215   3HG2  VAL  26          3HG2      VAL  26   2.490  -6.387   2.843
  216    H    LYS  27           H        LYS  27   5.462  -7.751   5.035
  217    HA   LYS  27           HA       LYS  27   3.168  -7.515   6.820
  218   1HB   LYS  27          2HB       LYS  27   5.228  -9.653   6.961
  219   2HB   LYS  27          1HB       LYS  27   4.697  -8.939   8.477
  220   1HG   LYS  27          2HG       LYS  27   2.353  -9.458   7.063
  221   2HG   LYS  27          1HG       LYS  27   3.380 -10.869   6.800
  222   1HD   LYS  27          2HD       LYS  27   3.449 -11.403   9.042
  223   2HD   LYS  27          1HD       LYS  27   3.108  -9.749   9.554
  224   1HE   LYS  27          2HE       LYS  27   1.197 -11.186   9.985
  225   2HE   LYS  27          1HE       LYS  27   0.803  -9.986   8.755
  226   1HZ   LYS  27          1HZ       LYS  27   1.826 -12.496   7.738
  227   2HZ   LYS  27          2HZ       LYS  27   0.529 -11.556   7.196
  228   3HZ   LYS  27          3HZ       LYS  27   0.323 -12.604   8.508
  229    H    GLU  28           H        GLU  28   3.823  -6.700   8.999
  230    HA   GLU  28           HA       GLU  28   5.319  -4.354   8.802
  231   1HB   GLU  28          2HB       GLU  28   4.944  -5.833  11.398
  232   2HB   GLU  28          1HB       GLU  28   4.987  -4.098  11.130
  233   1HG   GLU  28          2HG       GLU  28   2.766  -4.218  11.259
  234   2HG   GLU  28          1HG       GLU  28   2.850  -4.845   9.613
  235    H    GLY  29           H        GLY  29   7.443  -3.841   9.094
  236   1HA   GLY  29          2HA       GLY  29   9.685  -4.119   9.564
  237   2HA   GLY  29          1HA       GLY  29   9.252  -5.518  10.535
  238    H    ASP  30           H        ASP  30   7.928  -5.858   7.493
  239    HA   ASP  30           HA       ASP  30  10.010  -7.767   6.764
  240   1HB   ASP  30          2HB       ASP  30   7.316  -8.062   6.839
  241   2HB   ASP  30          1HB       ASP  30   7.541  -7.626   5.147
  242    H    THR  31           H        THR  31  10.784  -7.927   4.606
  243    HA   THR  31           HA       THR  31  10.955  -5.310   3.308
  244    HB   THR  31           HB       THR  31  12.651  -7.578   2.398
  245    HG1  THR  31           1HG      THR  31  14.028  -7.340   4.160
  246   1HG2  THR  31          1HG2      THR  31  13.025  -4.618   2.830
  247   2HG2  THR  31          2HG2      THR  31  12.957  -5.488   1.297
  248   3HG2  THR  31          3HG2      THR  31  14.339  -5.704   2.373
  249    H    VAL  32           H        VAL  32  10.486  -4.987   1.196
  250    HA   VAL  32           HA       VAL  32   8.835  -7.010  -0.110
  251    HB   VAL  32           HB       VAL  32   8.814  -4.590  -1.607
  252   1HG1  VAL  32          1HG1      VAL  32   6.784  -5.439  -1.796
  253   2HG1  VAL  32          2HG1      VAL  32   6.424  -4.763  -0.210
  254   3HG1  VAL  32          3HG1      VAL  32   6.996  -6.425  -0.349
  255   1HG2  VAL  32          1HG2      VAL  32   8.478  -4.136   1.350
  256   2HG2  VAL  32          2HG2      VAL  32   7.778  -3.078   0.127
  257   3HG2  VAL  32          3HG2      VAL  32   9.527  -3.270   0.227
  258    H    SER  33           H        SER  33   8.992  -7.069  -2.531
  259    HA   SER  33           HA       SER  33  11.731  -6.606  -3.487
  260   1HB   SER  33          2HB       SER  33  11.033  -9.081  -2.777
  261   2HB   SER  33          1HB       SER  33  10.336  -9.079  -4.397
  262    HG   SER  33           HG       SER  33  12.275  -9.370  -5.117
  263    H    GLN  34           H        GLN  34  11.697  -7.248  -5.997
  264    HA   GLN  34           HA       GLN  34   9.989  -5.339  -7.222
  265   1HB   GLN  34          2HB       GLN  34  12.029  -7.296  -8.179
  266   2HB   GLN  34          1HB       GLN  34  10.932  -6.588  -9.356
  267   1HG   GLN  34          2HG       GLN  34  12.074  -4.692  -9.389
  268   2HG   GLN  34          1HG       GLN  34  12.024  -4.560  -7.631
  269   1HE2  GLN  34          1HE2      GLN  34  13.707  -5.464  -6.408
  270   2HE2  GLN  34          2HE2      GLN  34  15.243  -5.824  -7.113
  271    H    PHE  35           H        PHE  35   9.830  -8.784  -6.752
  272    HA   PHE  35           HA       PHE  35   7.478  -8.978  -8.489
  273   1HB   PHE  35          2HB       PHE  35   9.127 -10.688  -8.894
  274   2HB   PHE  35          1HB       PHE  35   9.193 -11.098  -7.183
  275    HD1  PHE  35           1HD      PHE  35   6.332 -10.587  -9.520
  276    HD2  PHE  35           2HD      PHE  35   8.403 -13.239  -6.914
  277    HE1  PHE  35           1HE      PHE  35   4.587 -12.286  -9.868
  278    HE2  PHE  35           2HE      PHE  35   6.661 -14.942  -7.257
  279    HZ   PHE  35           HZ       PHE  35   4.750 -14.467  -8.737
  280    H    ASP  36           H        ASP  36   8.389  -8.794  -5.185
  281    HA   ASP  36           HA       ASP  36   5.892  -9.957  -4.241
  282   1HB   ASP  36          2HB       ASP  36   8.493  -9.624  -3.144
  283   2HB   ASP  36          1HB       ASP  36   7.373  -8.710  -2.137
  284    H    SER  37           H        SER  37   4.207  -8.634  -4.613
  285    HA   SER  37           HA       SER  37   4.381  -5.788  -4.445
  286   1HB   SER  37          2HB       SER  37   2.206  -5.760  -5.212
  287   2HB   SER  37          1HB       SER  37   2.701  -7.361  -5.762
  288    HG   SER  37           HG       SER  37   1.460  -8.275  -4.285
  289    H    ILE  38           H        ILE  38   3.165  -4.441  -2.949
  290    HA   ILE  38           HA       ILE  38   3.461  -5.386  -0.233
  291    HB   ILE  38           HB       ILE  38   2.323  -2.736  -1.110
  292   1HG1  ILE  38          2HG1      ILE  38   5.076  -3.787  -1.225
  293   2HG1  ILE  38          1HG1      ILE  38   4.349  -2.448  -2.097
  294   1HG2  ILE  38          1HG2      ILE  38   2.592  -2.026   1.057
  295   2HG2  ILE  38          2HG2      ILE  38   3.873  -3.190   1.397
  296   3HG2  ILE  38          3HG2      ILE  38   2.194  -3.724   1.318
  297   1HD1  ILE  38          1HD1      ILE  38   4.769  -0.950  -0.291
  298   2HD1  ILE  38          2HD1      ILE  38   6.259  -1.841  -0.613
  299   3HD1  ILE  38          3HD1      ILE  38   5.253  -2.276   0.769
  300    H    CYS  39           H        CYS  39   0.751  -3.659  -1.782
  301    HA   CYS  39           HA       CYS  39  -1.097  -5.620  -0.644
  302   1HB   CYS  39          2HB       CYS  39  -2.573  -3.504  -0.097
  303   2HB   CYS  39          1HB       CYS  39  -1.373  -4.090   1.047
  304    HG   CYS  39           HG       CYS  39  -0.954  -1.470   1.272
  305    H    GLU  40           H        GLU  40  -3.051  -5.829  -1.721
  306    HA   GLU  40           HA       GLU  40  -3.357  -4.267  -4.196
  307   1HB   GLU  40          2HB       GLU  40  -4.102  -7.168  -4.122
  308   2HB   GLU  40          1HB       GLU  40  -3.717  -6.157  -5.508
  309   1HG   GLU  40          2HG       GLU  40  -1.637  -6.859  -3.472
  310   2HG   GLU  40          1HG       GLU  40  -2.038  -7.953  -4.793
  311    H    VAL  41           H        VAL  41  -5.317  -3.368  -4.374
  312    HA   VAL  41           HA       VAL  41  -7.538  -4.580  -2.863
  313    HB   VAL  41           HB       VAL  41  -8.429  -2.426  -2.333
  314   1HG1  VAL  41          1HG1      VAL  41  -5.948  -3.343  -1.402
  315   2HG1  VAL  41          2HG1      VAL  41  -7.078  -2.269  -0.579
  316   3HG1  VAL  41          3HG1      VAL  41  -5.788  -1.595  -1.576
  317   1HG2  VAL  41          1HG2      VAL  41  -7.466  -0.336  -3.029
  318   2HG2  VAL  41          2HG2      VAL  41  -7.777  -1.314  -4.463
  319   3HG2  VAL  41          3HG2      VAL  41  -6.135  -1.165  -3.837
  320    H    GLN  42           H        GLN  42  -9.545  -4.639  -3.831
  321    HA   GLN  42           HA       GLN  42  -9.706  -3.657  -6.599
  322   1HB   GLN  42          2HB       GLN  42 -10.763  -6.326  -5.665
  323   2HB   GLN  42          1HB       GLN  42 -10.793  -5.697  -7.306
  324   1HG   GLN  42          2HG       GLN  42  -8.257  -5.657  -7.173
  325   2HG   GLN  42          1HG       GLN  42  -8.431  -6.629  -5.712
  326   1HE2  GLN  42          1HE2      GLN  42  -7.032  -7.682  -7.730
  327   2HE2  GLN  42          2HE2      GLN  42  -7.921  -8.938  -8.516
  328    H    SER  43           H        SER  43 -11.387  -2.364  -6.895
  329    HA   SER  43           HA       SER  43 -13.635  -2.523  -5.007
  330   1HB   SER  43          2HB       SER  43 -12.230  -0.358  -5.366
  331   2HB   SER  43          1HB       SER  43 -13.164  -0.201  -6.855
  332    HG   SER  43           HG       SER  43 -15.043  -0.538  -5.341
  333    H    ASP  44           H        ASP  44 -15.792  -2.280  -5.797
  334    HA   ASP  44           HA       ASP  44 -16.488  -3.917  -7.900
  335   1HB   ASP  44          2HB       ASP  44 -17.970  -2.957  -6.042
  336   2HB   ASP  44          1HB       ASP  44 -18.167  -1.551  -7.083
  337    H    LYS  45           H        LYS  45 -15.469  -0.611  -7.974
  338    HA   LYS  45           HA       LYS  45 -16.399  -0.190 -10.693
  339   1HB   LYS  45          2HB       LYS  45 -16.511   1.677  -9.131
  340   2HB   LYS  45          1HB       LYS  45 -14.780   1.569  -8.842
  341   1HG   LYS  45          2HG       LYS  45 -14.547   1.985 -11.371
  342   2HG   LYS  45          1HG       LYS  45 -16.223   2.531 -11.279
  343   1HD   LYS  45          2HD       LYS  45 -14.808   4.446 -11.042
  344   2HD   LYS  45          1HD       LYS  45 -15.529   4.107  -9.468
  345   1HE   LYS  45          2HE       LYS  45 -13.548   3.459  -8.545
  346   2HE   LYS  45          1HE       LYS  45 -12.910   2.856 -10.075
  347   1HZ   LYS  45          1HZ       LYS  45 -11.664   4.723  -9.845
  348   2HZ   LYS  45          2HZ       LYS  45 -12.844   5.561  -8.969
  349   3HZ   LYS  45          3HZ       LYS  45 -12.985   5.411 -10.648
  350    H    ALA  46           H        ALA  46 -13.216   0.182  -9.118
  351    HA   ALA  46           HA       ALA  46 -11.992  -1.091 -11.468
  352   1HB   ALA  46          1HB       ALA  46 -10.811   1.340 -10.146
  353   2HB   ALA  46          2HB       ALA  46 -11.852   1.426 -11.567
  354   3HB   ALA  46          3HB       ALA  46 -10.313   0.570 -11.651
  355    H    SER  47           H        SER  47  -9.958  -2.083 -11.095
  356    HA   SER  47           HA       SER  47  -9.444  -2.682  -8.257
  357   1HB   SER  47          2HB       SER  47  -8.483  -4.840  -9.082
  358   2HB   SER  47          1HB       SER  47 -10.205  -4.663  -9.423
  359    HG   SER  47           HG       SER  47  -9.693  -4.133 -11.545
  360    H    VAL  48           H        VAL  48  -7.567  -1.986  -7.465
  361    HA   VAL  48           HA       VAL  48  -5.400  -1.383  -9.371
  362    HB   VAL  48           HB       VAL  48  -5.037  -0.088  -6.802
  363   1HG1  VAL  48          1HG1      VAL  48  -3.751   0.602  -8.647
  364   2HG1  VAL  48          2HG1      VAL  48  -4.882   1.919  -8.338
  365   3HG1  VAL  48          3HG1      VAL  48  -5.175   0.800  -9.669
  366   1HG2  VAL  48          1HG2      VAL  48  -6.856   1.687  -7.409
  367   2HG2  VAL  48          2HG2      VAL  48  -7.295   0.263  -6.467
  368   3HG2  VAL  48          3HG2      VAL  48  -7.651   0.322  -8.193
  369    H    THR  49           H        THR  49  -3.263  -1.814  -8.773
  370    HA   THR  49           HA       THR  49  -2.907  -3.647  -6.497
  371    HB   THR  49           HB       THR  49  -1.477  -5.086  -7.771
  372    HG1  THR  49           1HG      THR  49  -1.748  -3.098  -9.777
  373   1HG2  THR  49          1HG2      THR  49  -4.149  -4.961  -8.160
  374   2HG2  THR  49          2HG2      THR  49  -3.111  -6.198  -8.872
  375   3HG2  THR  49          3HG2      THR  49  -3.578  -4.786  -9.820
  376    H    ILE  50           H        ILE  50  -1.173  -3.228  -5.233
  377    HA   ILE  50           HA       ILE  50   0.506  -0.956  -6.001
  378    HB   ILE  50           HB       ILE  50   0.361  -2.297  -3.306
  379   1HG1  ILE  50          2HG1      ILE  50  -1.861  -1.474  -3.956
  380   2HG1  ILE  50          1HG1      ILE  50  -1.181  -0.508  -2.651
  381   1HG2  ILE  50          1HG2      ILE  50   1.481   0.315  -4.283
  382   2HG2  ILE  50          2HG2      ILE  50   2.330  -1.004  -3.476
  383   3HG2  ILE  50          3HG2      ILE  50   1.176  -0.017  -2.578
  384   1HD1  ILE  50          1HD1      ILE  50  -1.287   0.239  -5.563
  385   2HD1  ILE  50          2HD1      ILE  50  -0.520   1.196  -4.296
  386   3HD1  ILE  50          3HD1      ILE  50  -2.261   0.919  -4.259
  387    H    THR  51           H        THR  51   2.257  -1.539  -7.100
  388    HA   THR  51           HA       THR  51   3.700  -3.981  -6.416
  389    HB   THR  51           HB       THR  51   4.992  -2.429  -8.472
  390    HG1  THR  51           1HG      THR  51   3.339  -1.757  -9.598
  391   1HG2  THR  51          1HG2      THR  51   3.459  -4.884  -9.112
  392   2HG2  THR  51          2HG2      THR  51   4.725  -5.027  -7.894
  393   3HG2  THR  51          3HG2      THR  51   5.121  -4.449  -9.512
  394    H    SER  52           H        SER  52   6.252  -3.555  -6.794
  395    HA   SER  52           HA       SER  52   6.952  -1.335  -4.989
  396   1HB   SER  52          2HB       SER  52   7.333  -4.099  -4.599
  397   2HB   SER  52          1HB       SER  52   8.927  -3.430  -4.950
  398    HG   SER  52           HG       SER  52   8.666  -1.992  -3.254
  399    H    ARG  53           H        ARG  53   8.080  -3.359  -7.681
  400    HA   ARG  53           HA       ARG  53   9.514  -2.932  -9.403
  401   1HB   ARG  53          2HB       ARG  53   9.656  -0.034  -8.661
  402   2HB   ARG  53          1HB       ARG  53   9.657  -0.773 -10.255
  403   1HG   ARG  53          2HG       ARG  53   7.290  -0.537  -8.408
  404   2HG   ARG  53          1HG       ARG  53   7.593   0.427  -9.853
  405   1HD   ARG  53          2HD       ARG  53   7.535  -2.544 -10.085
  406   2HD   ARG  53          1HD       ARG  53   6.011  -1.672  -9.940
  407    HE   ARG  53           HE       ARG  53   7.811  -1.679 -12.201
  408   1HH1  ARG  53          1HH1      ARG  53   5.169  -0.059 -10.604
  409   2HH1  ARG  53          2HH1      ARG  53   4.610   0.723 -12.044
  410   1HH2  ARG  53          1HH2      ARG  53   7.085  -0.646 -14.100
  411   2HH2  ARG  53          2HH2      ARG  53   5.698   0.389 -14.031
  412    H    TYR  54           H        TYR  54  10.333  -2.975  -6.357
  413    HA   TYR  54           HA       TYR  54  13.092  -3.178  -6.727
  414   1HB   TYR  54          2HB       TYR  54  12.130  -0.495  -6.216
  415   2HB   TYR  54          1HB       TYR  54  13.145  -1.048  -4.888
  416    HD1  TYR  54           1HD      TYR  54  15.239  -2.568  -6.059
  417    HD2  TYR  54           2HD      TYR  54  13.319   0.895  -7.616
  418    HE1  TYR  54           1HE      TYR  54  17.252  -2.050  -7.373
  419    HE2  TYR  54           2HE      TYR  54  15.326   1.422  -8.935
  420    HH   TYR  54           HH       TYR  54  17.907   0.842  -8.675
  421    H    ASP  55           H        ASP  55  14.182  -3.233  -4.422
  422    HA   ASP  55           HA       ASP  55  12.294  -4.695  -2.731
  423   1HB   ASP  55          2HB       ASP  55  14.572  -5.199  -1.470
  424   2HB   ASP  55          1HB       ASP  55  14.102  -6.099  -2.907
  425    H    GLY  56           H        GLY  56  11.392  -3.698  -1.095
  426   1HA   GLY  56          2HA       GLY  56  12.861  -1.456   0.143
  427   2HA   GLY  56          1HA       GLY  56  11.133  -1.401  -0.156
  428    H    VAL  57           H        VAL  57  12.112  -0.861   2.324
  429    HA   VAL  57           HA       VAL  57  11.638  -3.325   3.871
  430    HB   VAL  57           HB       VAL  57  12.789  -0.700   4.820
  431   1HG1  VAL  57          1HG1      VAL  57  13.261  -1.783   6.880
  432   2HG1  VAL  57          2HG1      VAL  57  12.783  -3.355   6.239
  433   3HG1  VAL  57          3HG1      VAL  57  11.567  -2.108   6.514
  434   1HG2  VAL  57          1HG2      VAL  57  14.279  -3.286   4.463
  435   2HG2  VAL  57          2HG2      VAL  57  14.928  -1.663   4.701
  436   3HG2  VAL  57          3HG2      VAL  57  14.157  -2.089   3.173
  437    H    ILE  58           H        ILE  58   9.687  -3.623   4.721
  438    HA   ILE  58           HA       ILE  58   7.927  -1.311   5.132
  439    HB   ILE  58           HB       ILE  58   7.197  -4.242   5.205
  440   1HG1  ILE  58          2HG1      ILE  58   6.520  -2.362   2.967
  441   2HG1  ILE  58          1HG1      ILE  58   8.094  -3.152   2.998
  442   1HG2  ILE  58          1HG2      ILE  58   5.359  -3.400   6.180
  443   2HG2  ILE  58          2HG2      ILE  58   4.945  -2.857   4.554
  444   3HG2  ILE  58          3HG2      ILE  58   5.731  -1.750   5.681
  445   1HD1  ILE  58          1HD1      ILE  58   7.142  -5.281   2.789
  446   2HD1  ILE  58          2HD1      ILE  58   6.257  -4.263   1.654
  447   3HD1  ILE  58          3HD1      ILE  58   5.533  -4.693   3.203
  448    H    LYS  59           H        LYS  59   7.383  -0.624   7.081
  449    HA   LYS  59           HA       LYS  59   8.547  -1.984   9.384
  450   1HB   LYS  59          2HB       LYS  59   9.147   0.318   9.123
  451   2HB   LYS  59          1HB       LYS  59   7.465   0.799   8.972
  452   1HG   LYS  59          2HG       LYS  59   7.438  -0.352  11.423
  453   2HG   LYS  59          1HG       LYS  59   9.082   0.288  11.365
  454   1HD   LYS  59          2HD       LYS  59   6.963   2.098  10.401
  455   2HD   LYS  59          1HD       LYS  59   6.936   1.735  12.128
  456   1HE   LYS  59          2HE       LYS  59   9.620   2.284  11.228
  457   2HE   LYS  59          1HE       LYS  59   8.535   3.608  10.809
  458   1HZ   LYS  59          1HZ       LYS  59   8.363   4.218  12.930
  459   2HZ   LYS  59          2HZ       LYS  59   9.708   3.236  13.222
  460   3HZ   LYS  59          3HZ       LYS  59   8.149   2.633  13.481
  461    H    LYS  60           H        LYS  60   5.342  -0.711   8.377
  462    HA   LYS  60           HA       LYS  60   4.167  -2.621  10.218
  463   1HB   LYS  60          2HB       LYS  60   3.182  -1.196  11.696
  464   2HB   LYS  60          1HB       LYS  60   4.629  -0.274  11.328
  465   1HG   LYS  60          2HG       LYS  60   1.905   0.162  10.118
  466   2HG   LYS  60          1HG       LYS  60   2.648   1.139  11.385
  467   1HD   LYS  60          2HD       LYS  60   4.538   1.566   9.753
  468   2HD   LYS  60          1HD       LYS  60   3.507   0.849   8.516
  469   1HE   LYS  60          2HE       LYS  60   3.291   3.457   9.898
  470   2HE   LYS  60          1HE       LYS  60   2.914   3.022   8.234
  471   1HZ   LYS  60          1HZ       LYS  60   0.974   1.733   9.350
  472   2HZ   LYS  60          2HZ       LYS  60   0.842   3.399   9.097
  473   3HZ   LYS  60          3HZ       LYS  60   1.233   2.806  10.632
  474    H    LEU  61           H        LEU  61   1.962  -2.996   9.982
  475    HA   LEU  61           HA       LEU  61   0.684  -1.931   7.570
  476   1HB   LEU  61          2HB       LEU  61   1.250  -4.801   8.226
  477   2HB   LEU  61          1HB       LEU  61  -0.174  -4.384   7.291
  478    HG   LEU  61           HG       LEU  61   2.706  -3.904   6.544
  479   1HD1  LEU  61          1HD1      LEU  61   0.502  -5.637   5.457
  480   2HD1  LEU  61          2HD1      LEU  61   2.083  -6.125   6.062
  481   3HD1  LEU  61          3HD1      LEU  61   1.957  -5.250   4.539
  482   1HD2  LEU  61          1HD2      LEU  61   1.631  -3.027   4.397
  483   2HD2  LEU  61          2HD2      LEU  61   1.642  -1.962   5.803
  484   3HD2  LEU  61          3HD2      LEU  61   0.168  -2.823   5.363
  485    H    TYR  62           H        TYR  62  -1.344  -1.294   8.002
  486    HA   TYR  62           HA       TYR  62  -2.533  -2.170  10.534
  487   1HB   TYR  62          2HB       TYR  62  -2.246   0.238  10.268
  488   2HB   TYR  62          1HB       TYR  62  -3.187   0.204   8.781
  489    HD1  TYR  62           1HD      TYR  62  -5.185   1.303   9.121
  490    HD2  TYR  62           2HD      TYR  62  -3.740  -1.307  12.153
  491    HE1  TYR  62           1HE      TYR  62  -7.244   1.673  10.413
  492    HE2  TYR  62           2HE      TYR  62  -5.794  -0.945  13.454
  493    HH   TYR  62           HH       TYR  62  -8.505   0.848  12.144
  494    H    TYR  63           H        TYR  63  -3.387  -1.698   7.113
  495    HA   TYR  63           HA       TYR  63  -5.933  -3.038   7.525
  496   1HB   TYR  63          2HB       TYR  63  -4.734  -1.981   4.960
  497   2HB   TYR  63          1HB       TYR  63  -6.399  -2.501   5.204
  498    HD1  TYR  63           1HD      TYR  63  -4.601   0.303   4.683
  499    HD2  TYR  63           2HD      TYR  63  -7.328  -1.251   7.555
  500    HE1  TYR  63           1HE      TYR  63  -5.220   2.594   5.325
  501    HE2  TYR  63           2HE      TYR  63  -7.954   1.037   8.206
  502    HH   TYR  63           HH       TYR  63  -6.233   3.658   7.607
  503    H    ASN  64           H        ASN  64  -6.581  -4.924   6.421
  504    HA   ASN  64           HA       ASN  64  -4.410  -6.550   5.300
  505   1HB   ASN  64          2HB       ASN  64  -6.412  -7.432   7.378
  506   2HB   ASN  64          1HB       ASN  64  -5.393  -8.544   6.458
  507   1HD2  ASN  64          1HD2      ASN  64  -4.053  -9.309   7.961
  508   2HD2  ASN  64          2HD2      ASN  64  -3.016  -8.348   8.954
  509    H    LEU  65           H        LEU  65  -5.568  -8.756   4.592
  510    HA   LEU  65           HA       LEU  65  -6.904  -8.275   2.256
  511   1HB   LEU  65          2HB       LEU  65  -6.900 -10.702   4.033
  512   2HB   LEU  65          1HB       LEU  65  -7.546 -10.693   2.410
  513    HG   LEU  65           HG       LEU  65  -5.057  -9.702   1.967
  514   1HD1  LEU  65          1HD1      LEU  65  -3.778 -11.645   3.335
  515   2HD1  LEU  65          2HD1      LEU  65  -5.010 -11.178   4.508
  516   3HD1  LEU  65          3HD1      LEU  65  -3.895  -9.969   3.872
  517   1HD2  LEU  65          1HD2      LEU  65  -6.393 -12.299   1.703
  518   2HD2  LEU  65          2HD2      LEU  65  -4.632 -12.375   1.682
  519   3HD2  LEU  65          3HD2      LEU  65  -5.484 -11.362   0.517
  520    H    ASP  66           H        ASP  66  -8.239  -8.421   5.465
  521    HA   ASP  66           HA       ASP  66 -10.954  -8.517   4.342
  522   1HB   ASP  66          2HB       ASP  66 -10.330 -10.215   6.069
  523   2HB   ASP  66          1HB       ASP  66 -10.137  -8.900   7.225
  524    H    ASP  67           H        ASP  67  -8.753  -6.493   6.121
  525    HA   ASP  67           HA       ASP  67 -10.768  -4.704   7.091
  526   1HB   ASP  67          2HB       ASP  67  -8.068  -5.132   7.630
  527   2HB   ASP  67          1HB       ASP  67  -8.135  -3.515   6.938
  528    H    ILE  68           H        ILE  68 -11.062  -2.523   6.535
  529    HA   ILE  68           HA       ILE  68 -10.674  -1.966   3.669
  530    HB   ILE  68           HB       ILE  68 -12.450  -0.267   5.344
  531   1HG1  ILE  68          2HG1      ILE  68 -13.026  -2.632   5.943
  532   2HG1  ILE  68          1HG1      ILE  68 -14.332  -1.751   5.154
  533   1HG2  ILE  68          1HG2      ILE  68 -12.897  -1.319   2.572
  534   2HG2  ILE  68          2HG2      ILE  68 -11.855   0.071   2.889
  535   3HG2  ILE  68          3HG2      ILE  68 -13.567   0.127   3.324
  536   1HD1  ILE  68          1HD1      ILE  68 -13.431  -4.237   4.469
  537   2HD1  ILE  68          2HD1      ILE  68 -12.632  -3.193   3.293
  538   3HD1  ILE  68          3HD1      ILE  68 -14.389  -3.168   3.442
  539    H    ALA  69           H        ALA  69  -9.800  -0.099   2.970
  540    HA   ALA  69           HA       ALA  69  -8.487   1.547   5.020
  541   1HB   ALA  69          1HB       ALA  69  -7.617   1.295   2.156
  542   2HB   ALA  69          2HB       ALA  69  -7.053   0.206   3.419
  543   3HB   ALA  69          3HB       ALA  69  -6.706   1.932   3.523
  544    H    TYR  70           H        TYR  70  -8.470   3.796   4.760
  545    HA   TYR  70           HA       TYR  70 -10.612   4.829   3.023
  546   1HB   TYR  70          2HB       TYR  70  -9.700   6.626   5.148
  547   2HB   TYR  70          1HB       TYR  70 -11.333   6.141   4.713
  548    HD1  TYR  70           1HD      TYR  70 -12.224   3.950   5.618
  549    HD2  TYR  70           2HD      TYR  70  -8.613   5.705   7.027
  550    HE1  TYR  70           1HE      TYR  70 -12.344   2.558   7.642
  551    HE2  TYR  70           2HE      TYR  70  -8.723   4.317   9.055
  552    HH   TYR  70           HH       TYR  70 -10.259   1.701   9.414
  553    H    VAL  71           H        VAL  71 -10.300   6.765   1.878
  554    HA   VAL  71           HA       VAL  71  -7.563   7.218   1.053
  555    HB   VAL  71           HB       VAL  71  -9.950   8.799   0.120
  556   1HG1  VAL  71          1HG1      VAL  71  -8.026   8.122  -1.890
  557   2HG1  VAL  71          2HG1      VAL  71  -7.209   8.837  -0.500
  558   3HG1  VAL  71          3HG1      VAL  71  -8.514   9.711  -1.302
  559   1HG2  VAL  71          1HG2      VAL  71 -10.236   6.229   0.014
  560   2HG2  VAL  71          2HG2      VAL  71  -9.037   6.312  -1.276
  561   3HG2  VAL  71          3HG2      VAL  71 -10.561   7.184  -1.431
  562    H    GLY  72           H        GLY  72  -6.271   8.865   1.667
  563   1HA   GLY  72          2HA       GLY  72  -6.110  11.278   2.114
  564   2HA   GLY  72          1HA       GLY  72  -7.528  11.103   3.134
  565    H    LYS  73           H        LYS  73  -5.386   8.492   3.480
  566    HA   LYS  73           HA       LYS  73  -3.701   9.735   5.461
  567   1HB   LYS  73          2HB       LYS  73  -6.201   8.673   6.257
  568   2HB   LYS  73          1HB       LYS  73  -4.967   7.560   6.829
  569   1HG   LYS  73          2HG       LYS  73  -3.799   9.618   7.784
  570   2HG   LYS  73          1HG       LYS  73  -5.324  10.459   7.494
  571   1HD   LYS  73          2HD       LYS  73  -5.407   9.707   9.735
  572   2HD   LYS  73          1HD       LYS  73  -6.442   8.614   8.814
  573   1HE   LYS  73          2HE       LYS  73  -4.016   7.375   8.646
  574   2HE   LYS  73          1HE       LYS  73  -3.950   8.084  10.259
  575   1HZ   LYS  73          1HZ       LYS  73  -5.228   6.444  10.975
  576   2HZ   LYS  73          2HZ       LYS  73  -5.331   5.792   9.418
  577   3HZ   LYS  73          3HZ       LYS  73  -6.470   6.930   9.934
  578    HA   PRO  74           HA       PRO  74  -1.106   6.451   3.885
  579   1HB   PRO  74          2HB       PRO  74   0.434   6.939   6.372
  580   2HB   PRO  74          1HB       PRO  74   0.975   6.967   4.691
  581   1HG   PRO  74          2HG       PRO  74   0.672   9.233   6.060
  582   2HG   PRO  74          1HG       PRO  74   0.226   9.133   4.344
  583   1HD   PRO  74          2HD       PRO  74  -1.534   9.088   6.768
  584   2HD   PRO  74          1HD       PRO  74  -1.784   9.895   5.205
  585    H    LEU  75           H        LEU  75  -0.680   4.281   4.359
  586    HA   LEU  75           HA       LEU  75  -1.867   3.301   6.868
  587   1HB   LEU  75          2HB       LEU  75  -2.801   1.437   5.758
  588   2HB   LEU  75          1HB       LEU  75  -3.235   2.852   4.817
  589    HG   LEU  75           HG       LEU  75  -0.924   2.047   3.583
  590   1HD1  LEU  75          1HD1      LEU  75  -2.457  -0.457   4.254
  591   2HD1  LEU  75          2HD1      LEU  75  -0.932   0.004   5.011
  592   3HD1  LEU  75          3HD1      LEU  75  -0.994  -0.321   3.279
  593   1HD2  LEU  75          1HD2      LEU  75  -2.822   0.783   2.115
  594   2HD2  LEU  75          2HD2      LEU  75  -2.516   2.519   2.067
  595   3HD2  LEU  75          3HD2      LEU  75  -3.813   1.880   3.077
  596    H    VAL  76           H        VAL  76   0.702   2.926   4.483
  597    HA   VAL  76           HA       VAL  76   2.155   1.332   6.478
  598    HB   VAL  76           HB       VAL  76   1.217  -0.296   4.941
  599   1HG1  VAL  76          1HG1      VAL  76   2.730   0.347   2.581
  600   2HG1  VAL  76          2HG1      VAL  76   1.649   1.673   3.012
  601   3HG1  VAL  76          3HG1      VAL  76   1.000   0.052   2.760
  602   1HG2  VAL  76          1HG2      VAL  76   4.077  -0.147   4.116
  603   2HG2  VAL  76          2HG2      VAL  76   3.136  -1.536   4.649
  604   3HG2  VAL  76          3HG2      VAL  76   3.685  -0.340   5.822
  605    H    ASP  77           H        ASP  77   4.323   1.661   6.586
  606    HA   ASP  77           HA       ASP  77   5.436   3.734   4.822
  607   1HB   ASP  77          2HB       ASP  77   6.866   2.862   7.283
  608   2HB   ASP  77          1HB       ASP  77   6.768   4.461   6.558
  609    H    ILE  78           H        ILE  78   6.848   3.068   3.321
  610    HA   ILE  78           HA       ILE  78   8.467   0.682   3.889
  611    HB   ILE  78           HB       ILE  78   7.564   1.071   1.086
  612   1HG1  ILE  78          2HG1      ILE  78   5.634  -0.610   1.846
  613   2HG1  ILE  78          1HG1      ILE  78   5.787   0.301   3.347
  614   1HG2  ILE  78          1HG2      ILE  78   8.440  -1.173   2.840
  615   2HG2  ILE  78          2HG2      ILE  78   9.027  -0.690   1.248
  616   3HG2  ILE  78          3HG2      ILE  78   7.479  -1.521   1.402
  617   1HD1  ILE  78          1HD1      ILE  78   5.713   2.160   1.220
  618   2HD1  ILE  78          2HD1      ILE  78   4.530   1.897   2.504
  619   3HD1  ILE  78          3HD1      ILE  78   4.399   1.005   0.987
  620    H    GLU  79           H        GLU  79  10.524   0.641   2.910
  621    HA   GLU  79           HA       GLU  79  11.416   3.279   1.992
  622   1HB   GLU  79          2HB       GLU  79  12.559   1.250   3.648
  623   2HB   GLU  79          1HB       GLU  79  13.588   1.448   2.236
  624   1HG   GLU  79          2HG       GLU  79  12.790   3.999   3.320
  625   2HG   GLU  79          1HG       GLU  79  13.578   2.997   4.537
  626    H    THR  80           H        THR  80  11.464   3.584  -0.120
  627    HA   THR  80           HA       THR  80  12.450   1.449  -1.874
  628    HB   THR  80           HB       THR  80  10.351   2.914  -3.206
  629    HG1  THR  80           1HG      THR  80   8.642   1.883  -1.886
  630   1HG2  THR  80          1HG2      THR  80  11.448   0.385  -3.268
  631   2HG2  THR  80          2HG2      THR  80  10.023   0.915  -4.165
  632   3HG2  THR  80          3HG2      THR  80   9.836   0.110  -2.606
  633    H    GLU  81           H        GLU  81  13.232   2.227  -3.943
  634    HA   GLU  81           HA       GLU  81  14.767   4.554  -3.777
  635   1HB   GLU  81          2HB       GLU  81  14.788   2.454  -5.433
  636   2HB   GLU  81          1HB       GLU  81  13.947   3.596  -6.473
  637   1HG   GLU  81          2HG       GLU  81  15.769   5.003  -6.626
  638   2HG   GLU  81          1HG       GLU  81  16.489   4.401  -5.134
  639    H    ALA  82           H        ALA  82  14.606   6.559  -4.925
  640    HA   ALA  82           HA       ALA  82  12.322   7.999  -4.591
  641   1HB   ALA  82          1HB       ALA  82  14.708   8.329  -6.308
  642   2HB   ALA  82          2HB       ALA  82  14.040   9.395  -5.071
  643   3HB   ALA  82          3HB       ALA  82  13.314   9.345  -6.678
  644    H    LEU  83           H        LEU  83  10.338   7.594  -5.303
  645    HA   LEU  83           HA       LEU  83   9.988   6.906  -8.146
  646   1HB   LEU  83          2HB       LEU  83   9.147   5.467  -5.816
  647   2HB   LEU  83          1HB       LEU  83   7.729   6.019  -6.687
  648    HG   LEU  83           HG       LEU  83   9.299   4.990  -8.700
  649   1HD1  LEU  83          1HD1      LEU  83  10.891   4.045  -7.147
  650   2HD1  LEU  83          2HD1      LEU  83   9.959   2.751  -7.901
  651   3HD1  LEU  83          3HD1      LEU  83   9.593   3.256  -6.251
  652   1HD2  LEU  83          1HD2      LEU  83   6.851   4.338  -7.296
  653   2HD2  LEU  83          2HD2      LEU  83   7.658   2.899  -7.919
  654   3HD2  LEU  83          3HD2      LEU  83   7.236   4.216  -9.012
  655    H    LYS  84           H        LYS  84   8.293   7.870  -9.240
  656    HA   LYS  84           HA       LYS  84   7.576  10.463  -8.508
  657   1HB   LYS  84          2HB       LYS  84   6.784   8.547 -10.612
  658   2HB   LYS  84          1HB       LYS  84   5.615   9.815 -10.267
  659   1HG   LYS  84          2HG       LYS  84   7.397  11.494 -10.628
  660   2HG   LYS  84          1HG       LYS  84   8.487  10.185 -11.090
  661   1HD   LYS  84          2HD       LYS  84   7.574   9.994 -13.129
  662   2HD   LYS  84          1HD       LYS  84   5.930  10.137 -12.505
  663   1HE   LYS  84          2HE       LYS  84   5.947  12.114 -13.575
  664   2HE   LYS  84          1HE       LYS  84   6.835  12.667 -12.156
  665   1HZ   LYS  84          1HZ       LYS  84   7.765  13.086 -14.530
  666   2HZ   LYS  84          2HZ       LYS  84   8.317  11.493 -14.403
  667   3HZ   LYS  84          3HZ       LYS  84   8.817  12.651 -13.277
  668    H    ASP  85           H        ASP  85   6.178   7.433  -7.632
  669    HA   ASP  85           HA       ASP  85   3.554   7.872  -7.160
  670   1HB   ASP  85          2HB       ASP  85   4.832   5.798  -6.595
  671   2HB   ASP  85          1HB       ASP  85   5.390   6.597  -5.128
  672    H    LEU  86           H        LEU  86   6.163   8.878  -4.953
  673    HA   LEU  86           HA       LEU  86   4.214  10.602  -3.576
  674   1HB   LEU  86          2HB       LEU  86   5.841   8.725  -2.478
  675   2HB   LEU  86          1HB       LEU  86   6.846  10.153  -2.327
  676    HG   LEU  86           HG       LEU  86   4.771  11.245  -1.241
  677   1HD1  LEU  86          1HD1      LEU  86   3.168   9.816  -0.255
  678   2HD1  LEU  86          2HD1      LEU  86   4.072   8.370  -0.705
  679   3HD1  LEU  86          3HD1      LEU  86   3.280   9.338  -1.949
  680   1HD2  LEU  86          1HD2      LEU  86   5.346  10.118   0.960
  681   2HD2  LEU  86          2HD2      LEU  86   6.681  10.865   0.082
  682   3HD2  LEU  86          3HD2      LEU  86   6.464   9.115   0.036
  683    H    GLU  87           H        GLU  87   7.148  10.533  -5.403
  684    HA   GLU  87           HA       GLU  87   7.088  13.333  -5.853
  685   1HB   GLU  87          2HB       GLU  87   9.467  13.653  -4.857
  686   2HB   GLU  87          1HB       GLU  87   8.072  13.740  -3.790
  687   1HG   GLU  87          2HG       GLU  87   8.688  11.930  -2.634
  688   2HG   GLU  87          1HG       GLU  87   9.193  11.056  -4.079
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  17.395   8.305   2.588
    2   2H    MET   1          2HT       MET   1  17.372   6.822   3.402
    3   3H    MET   1          3HT       MET   1  18.816   7.399   2.737
    4    HA   MET   1           HA       MET   1  18.473   7.624   5.240
    5   1HB   MET   1          2HB       MET   1  19.346   9.809   3.357
    6   2HB   MET   1          1HB       MET   1  19.539   9.962   5.098
    7   1HG   MET   1          2HG       MET   1  20.606   7.570   3.664
    8   2HG   MET   1          1HG       MET   1  21.502   9.088   3.666
    9   1HE   MET   1          1HE       MET   1  22.235  10.337   5.836
   10   2HE   MET   1          2HE       MET   1  22.174   9.662   7.463
   11   3HE   MET   1          3HE       MET   1  20.689  10.186   6.670
   12    H    GLY   2           H        GLY   2  16.336   7.644   5.992
   13   1HA   GLY   2          2HA       GLY   2  14.603   8.697   7.082
   14   2HA   GLY   2          1HA       GLY   2  15.345  10.234   6.675
   15    H    GLN   3           H        GLN   3  14.922   8.420   3.879
   16    HA   GLN   3           HA       GLN   3  12.408   9.845   3.297
   17   1HB   GLN   3          2HB       GLN   3  14.776  10.106   1.992
   18   2HB   GLN   3          1HB       GLN   3  14.010   8.837   1.047
   19   1HG   GLN   3          2HG       GLN   3  13.156  10.567  -0.093
   20   2HG   GLN   3          1HG       GLN   3  11.972  10.573   1.212
   21   1HE2  GLN   3          1HE2      GLN   3  11.550  12.751   1.010
   22   2HE2  GLN   3          2HE2      GLN   3  12.676  13.970   1.489
   23    H    VAL   4           H        VAL   4  10.667   8.716   2.690
   24    HA   VAL   4           HA       VAL   4  10.977   5.971   1.726
   25    HB   VAL   4           HB       VAL   4   9.236   5.112   3.200
   26   1HG1  VAL   4          1HG1      VAL   4  10.953   4.518   4.470
   27   2HG1  VAL   4          2HG1      VAL   4  10.700   5.983   5.420
   28   3HG1  VAL   4          3HG1      VAL   4  11.830   5.994   4.066
   29   1HG2  VAL   4          1HG2      VAL   4   8.741   6.677   5.247
   30   2HG2  VAL   4          2HG2      VAL   4   7.805   6.812   3.759
   31   3HG2  VAL   4          3HG2      VAL   4   9.111   7.954   4.086
   32    H    VAL   5           H        VAL   5   9.279   5.220   0.435
   33    HA   VAL   5           HA       VAL   5   7.523   7.338  -0.583
   34    HB   VAL   5           HB       VAL   5   7.050   5.741  -2.446
   35   1HG1  VAL   5          1HG1      VAL   5   9.634   5.760  -3.184
   36   2HG1  VAL   5          2HG1      VAL   5   9.688   6.918  -1.854
   37   3HG1  VAL   5          3HG1      VAL   5   8.600   7.186  -3.216
   38   1HG2  VAL   5          1HG2      VAL   5   8.444   3.774  -2.737
   39   2HG2  VAL   5          2HG2      VAL   5   7.544   3.660  -1.226
   40   3HG2  VAL   5          3HG2      VAL   5   9.252   4.095  -1.204
   41    H    GLN   6           H        GLN   6   5.474   7.384   0.076
   42    HA   GLN   6           HA       GLN   6   4.431   4.999   1.407
   43   1HB   GLN   6          2HB       GLN   6   3.700   7.910   1.612
   44   2HB   GLN   6          1HB       GLN   6   2.719   6.635   2.325
   45   1HG   GLN   6          2HG       GLN   6   4.048   6.517   4.087
   46   2HG   GLN   6          1HG       GLN   6   5.466   6.292   3.063
   47   1HE2  GLN   6          1HE2      GLN   6   5.629   8.638   1.731
   48   2HE2  GLN   6          2HE2      GLN   6   5.920   9.937   2.831
   49    H    PHE   7           H        PHE   7   2.629   3.998   0.853
   50    HA   PHE   7           HA       PHE   7   1.340   4.834  -1.638
   51   1HB   PHE   7          2HB       PHE   7   2.069   2.590  -1.842
   52   2HB   PHE   7          1HB       PHE   7   1.571   2.190  -0.200
   53    HD1  PHE   7           1HD      PHE   7  -0.536   1.298   0.231
   54    HD2  PHE   7           2HD      PHE   7   0.271   3.035  -3.567
   55    HE1  PHE   7           1HE      PHE   7  -2.683   0.450  -0.607
   56    HE2  PHE   7           2HE      PHE   7  -1.875   2.190  -4.417
   57    HZ   PHE   7           HZ       PHE   7  -3.361   0.893  -2.934
   58    H    LYS   8           H        LYS   8  -0.770   5.420  -1.666
   59    HA   LYS   8           HA       LYS   8  -2.251   5.250   0.877
   60   1HB   LYS   8          2HB       LYS   8  -3.327   7.378   0.302
   61   2HB   LYS   8          1HB       LYS   8  -1.580   7.561   0.406
   62   1HG   LYS   8          2HG       LYS   8  -1.633   7.182  -2.155
   63   2HG   LYS   8          1HG       LYS   8  -3.345   7.583  -2.010
   64   1HD   LYS   8          2HD       LYS   8  -1.905   9.530  -2.576
   65   2HD   LYS   8          1HD       LYS   8  -2.819   9.739  -1.082
   66   1HE   LYS   8          2HE       LYS   8  -0.356  10.442  -1.082
   67   2HE   LYS   8          1HE       LYS   8  -0.927   9.447   0.258
   68   1HZ   LYS   8          1HZ       LYS   8   0.632   8.541  -2.103
   69   2HZ   LYS   8          2HZ       LYS   8  -0.040   7.492  -0.960
   70   3HZ   LYS   8          3HZ       LYS   8   1.154   8.594  -0.495
   71    H    LEU   9           H        LEU   9  -4.362   4.601   0.802
   72    HA   LEU   9           HA       LEU   9  -5.311   2.847  -1.041
   73   1HB   LEU   9          2HB       LEU   9  -6.327   3.370   1.166
   74   2HB   LEU   9          1HB       LEU   9  -6.992   4.842   0.487
   75    HG   LEU   9           HG       LEU   9  -8.670   3.075   0.690
   76   1HD1  LEU   9          1HD1      LEU   9  -8.585   4.794  -1.229
   77   2HD1  LEU   9          2HD1      LEU   9  -9.728   3.457  -1.310
   78   3HD1  LEU   9          3HD1      LEU   9  -8.230   3.392  -2.238
   79   1HD2  LEU   9          1HD2      LEU   9  -7.944   1.388  -1.466
   80   2HD2  LEU   9          2HD2      LEU   9  -8.258   0.976   0.224
   81   3HD2  LEU   9          3HD2      LEU   9  -6.627   1.421  -0.290
   82    H    SER  10           H        SER  10  -6.033   2.923  -3.096
   83    HA   SER  10           HA       SER  10  -6.888   5.524  -4.182
   84   1HB   SER  10          2HB       SER  10  -4.734   3.721  -5.134
   85   2HB   SER  10          1HB       SER  10  -5.778   4.409  -6.376
   86    HG   SER  10           HG       SER  10  -3.954   5.651  -4.689
   87    H    ASP  11           H        ASP  11  -7.829   5.100  -6.509
   88    HA   ASP  11           HA       ASP  11  -9.280   4.015  -7.916
   89   1HB   ASP  11          2HB       ASP  11  -8.323   1.856  -6.521
   90   2HB   ASP  11          1HB       ASP  11 -10.048   1.789  -6.171
   91    H    ILE  12           H        ILE  12  -9.894   4.833  -4.658
   92    HA   ILE  12           HA       ILE  12 -12.795   4.802  -5.110
   93    HB   ILE  12           HB       ILE  12 -11.170   5.008  -2.575
   94   1HG1  ILE  12          2HG1      ILE  12 -12.747   3.014  -2.055
   95   2HG1  ILE  12          1HG1      ILE  12 -13.029   2.987  -3.792
   96   1HG2  ILE  12          1HG2      ILE  12 -13.034   6.573  -2.380
   97   2HG2  ILE  12          2HG2      ILE  12 -13.277   5.175  -1.333
   98   3HG2  ILE  12          3HG2      ILE  12 -14.160   5.302  -2.852
   99   1HD1  ILE  12          1HD1      ILE  12 -10.731   2.090  -2.248
  100   2HD1  ILE  12          2HD1      ILE  12 -10.303   3.067  -3.649
  101   3HD1  ILE  12          3HD1      ILE  12 -11.277   1.611  -3.853
  102    H    GLY  13           H        GLY  13 -13.971   6.621  -5.248
  103   1HA   GLY  13          2HA       GLY  13 -12.530   9.140  -5.455
  104   2HA   GLY  13          1HA       GLY  13 -14.206   8.853  -5.906
  105    H    GLU  14           H        GLU  14 -12.675  10.831  -4.098
  106    HA   GLU  14           HA       GLU  14 -13.425  10.491  -1.444
  107   1HB   GLU  14          2HB       GLU  14 -11.922  12.284  -2.541
  108   2HB   GLU  14          1HB       GLU  14 -13.413  13.186  -2.776
  109   1HG   GLU  14          2HG       GLU  14 -13.743  13.480  -0.499
  110   2HG   GLU  14          1HG       GLU  14 -12.666  12.151  -0.072
  111    H    GLY  15           H        GLY  15 -15.541   9.580  -1.449
  112   1HA   GLY  15          2HA       GLY  15 -17.624  11.061  -0.682
  113   2HA   GLY  15          1HA       GLY  15 -17.736  11.220  -2.428
  114    H    ILE  16           H        ILE  16 -16.649   8.433  -2.732
  115    HA   ILE  16           HA       ILE  16 -19.223   7.099  -2.385
  116    HB   ILE  16           HB       ILE  16 -18.502   5.490  -3.996
  117   1HG1  ILE  16          2HG1      ILE  16 -15.790   6.795  -4.177
  118   2HG1  ILE  16          1HG1      ILE  16 -16.085   5.453  -3.078
  119   1HG2  ILE  16          1HG2      ILE  16 -18.936   6.895  -5.645
  120   2HG2  ILE  16          2HG2      ILE  16 -17.332   7.617  -5.512
  121   3HG2  ILE  16          3HG2      ILE  16 -18.661   8.230  -4.527
  122   1HD1  ILE  16          1HD1      ILE  16 -15.752   5.470  -5.973
  123   2HD1  ILE  16          2HD1      ILE  16 -17.091   4.476  -5.396
  124   3HD1  ILE  16          3HD1      ILE  16 -15.458   4.192  -4.794
  125    H    ARG  17           H        ARG  17 -18.427   4.464  -2.409
  126    HA   ARG  17           HA       ARG  17 -17.894   3.997   0.327
  127   1HB   ARG  17          2HB       ARG  17 -19.286   2.554  -1.220
  128   2HB   ARG  17          1HB       ARG  17 -17.774   1.957  -1.889
  129   1HG   ARG  17          2HG       ARG  17 -17.145   1.238   0.429
  130   2HG   ARG  17          1HG       ARG  17 -18.790   1.642   0.921
  131   1HD   ARG  17          2HD       ARG  17 -18.950   0.041  -1.415
  132   2HD   ARG  17          1HD       ARG  17 -17.826  -0.740  -0.303
  133    HE   ARG  17           HE       ARG  17 -20.242   0.110   0.977
  134   1HH1  ARG  17          1HH1      ARG  17 -18.772  -2.410  -0.920
  135   2HH1  ARG  17          2HH1      ARG  17 -19.863  -3.639  -0.375
  136   1HH2  ARG  17          1HH2      ARG  17 -21.685  -1.497   1.708
  137   2HH2  ARG  17          2HH2      ARG  17 -21.523  -3.119   1.121
  138    H    GLU  18           H        GLU  18 -16.163   2.806   1.246
  139    HA   GLU  18           HA       GLU  18 -13.591   3.394  -0.032
  140   1HB   GLU  18          2HB       GLU  18 -14.351   2.687   2.805
  141   2HB   GLU  18          1HB       GLU  18 -12.683   2.810   2.260
  142   1HG   GLU  18          2HG       GLU  18 -12.717   5.046   2.261
  143   2HG   GLU  18          1HG       GLU  18 -14.356   5.127   1.620
  144    H    VAL  19           H        VAL  19 -11.830   1.615   0.580
  145    HA   VAL  19           HA       VAL  19 -13.113  -0.995   0.043
  146    HB   VAL  19           HB       VAL  19 -12.002  -0.047  -1.969
  147   1HG1  VAL  19          1HG1      VAL  19  -9.381  -0.633  -0.642
  148   2HG1  VAL  19          2HG1      VAL  19 -10.118   0.968  -0.557
  149   3HG1  VAL  19          3HG1      VAL  19  -9.703   0.270  -2.122
  150   1HG2  VAL  19          1HG2      VAL  19 -10.995  -2.093  -2.656
  151   2HG2  VAL  19          2HG2      VAL  19 -12.308  -2.503  -1.554
  152   3HG2  VAL  19          3HG2      VAL  19 -10.638  -2.547  -0.990
  153    H    THR  20           H        THR  20 -12.182  -2.847   0.835
  154    HA   THR  20           HA       THR  20 -10.458  -2.458   3.177
  155    HB   THR  20           HB       THR  20 -11.534  -5.154   2.604
  156    HG1  THR  20           1HG      THR  20 -13.631  -4.653   3.117
  157   1HG2  THR  20          1HG2      THR  20 -11.869  -5.222   4.978
  158   2HG2  THR  20          2HG2      THR  20 -11.649  -3.479   5.112
  159   3HG2  THR  20          3HG2      THR  20 -10.287  -4.504   4.673
  160    H    VAL  21           H        VAL  21  -8.692  -3.944   3.546
  161    HA   VAL  21           HA       VAL  21  -7.283  -4.534   1.088
  162    HB   VAL  21           HB       VAL  21  -6.427  -5.179   3.914
  163   1HG1  VAL  21          1HG1      VAL  21  -5.171  -5.413   1.242
  164   2HG1  VAL  21          2HG1      VAL  21  -4.973  -6.415   2.681
  165   3HG1  VAL  21          3HG1      VAL  21  -4.148  -4.860   2.570
  166   1HG2  VAL  21          1HG2      VAL  21  -5.892  -2.744   2.217
  167   2HG2  VAL  21          2HG2      VAL  21  -5.043  -3.123   3.716
  168   3HG2  VAL  21          3HG2      VAL  21  -6.778  -2.802   3.741
  169    H    LYS  22           H        LYS  22  -7.127  -6.486   0.111
  170    HA   LYS  22           HA       LYS  22  -8.590  -8.691   1.361
  171   1HB   LYS  22          2HB       LYS  22  -8.632  -7.672  -1.216
  172   2HB   LYS  22          1HB       LYS  22  -7.693  -9.151  -1.370
  173   1HG   LYS  22          2HG       LYS  22 -10.104  -9.478   0.233
  174   2HG   LYS  22          1HG       LYS  22 -10.421  -8.974  -1.429
  175   1HD   LYS  22          2HD       LYS  22  -8.398 -11.038  -1.322
  176   2HD   LYS  22          1HD       LYS  22  -9.889 -11.558  -0.532
  177   1HE   LYS  22          2HE       LYS  22 -11.147 -10.875  -2.547
  178   2HE   LYS  22          1HE       LYS  22  -9.619 -10.468  -3.330
  179   1HZ   LYS  22          1HZ       LYS  22  -9.283 -12.585  -3.845
  180   2HZ   LYS  22          2HZ       LYS  22 -10.863 -12.913  -3.338
  181   3HZ   LYS  22          3HZ       LYS  22  -9.573 -13.106  -2.261
  182    H    GLU  23           H        GLU  23  -5.396  -7.797   0.269
  183    HA   GLU  23           HA       GLU  23  -4.413 -10.331   1.366
  184   1HB   GLU  23          2HB       GLU  23  -3.328  -9.192  -1.203
  185   2HB   GLU  23          1HB       GLU  23  -2.958 -10.748  -0.473
  186   1HG   GLU  23          2HG       GLU  23  -5.758 -10.118  -1.279
  187   2HG   GLU  23          1HG       GLU  23  -4.579 -10.606  -2.494
  188    H    TRP  24           H        TRP  24  -2.779 -10.110   2.699
  189    HA   TRP  24           HA       TRP  24  -1.098  -7.696   2.559
  190   1HB   TRP  24          2HB       TRP  24  -2.679  -8.779   4.819
  191   2HB   TRP  24          1HB       TRP  24  -1.042  -8.277   5.217
  192    HD1  TRP  24           HD       TRP  24  -4.399  -6.948   5.116
  193    HE1  TRP  24           1HE      TRP  24  -4.404  -4.373   5.062
  194    HE3  TRP  24           3HE      TRP  24   0.494  -6.157   3.880
  195    HZ2  TRP  24           2HZ      TRP  24  -2.578  -2.292   4.556
  196    HZ3  TRP  24           3HZ      TRP  24   1.283  -3.844   3.631
  197    HH2  TRP  24           HH       TRP  24  -0.220  -1.950   3.957
  198    H    TYR  25           H        TYR  25   0.935  -8.341   2.081
  199    HA   TYR  25           HA       TYR  25   1.817 -10.949   3.153
  200   1HB   TYR  25          2HB       TYR  25   1.760 -10.007   0.492
  201   2HB   TYR  25          1HB       TYR  25   3.452 -10.068   0.964
  202    HD1  TYR  25           1HD      TYR  25   4.289 -12.292   2.003
  203    HD2  TYR  25           2HD      TYR  25   0.673 -11.939  -0.211
  204    HE1  TYR  25           1HE      TYR  25   4.323 -14.714   1.573
  205    HE2  TYR  25           2HE      TYR  25   0.694 -14.360  -0.644
  206    HH   TYR  25           HH       TYR  25   3.187 -16.465   0.742
  207    H    VAL  26           H        VAL  26   2.171  -7.831   3.880
  208    HA   VAL  26           HA       VAL  26   4.964  -8.223   4.702
  209    HB   VAL  26           HB       VAL  26   5.514  -5.911   4.238
  210   1HG1  VAL  26          1HG1      VAL  26   6.126  -7.027   2.372
  211   2HG1  VAL  26          2HG1      VAL  26   4.876  -6.014   1.653
  212   3HG1  VAL  26          3HG1      VAL  26   4.512  -7.680   2.098
  213   1HG2  VAL  26          1HG2      VAL  26   3.625  -4.620   4.523
  214   2HG2  VAL  26          2HG2      VAL  26   2.604  -5.719   3.596
  215   3HG2  VAL  26          3HG2      VAL  26   3.745  -4.662   2.765
  216    H    LYS  27           H        LYS  27   5.602  -6.651   6.458
  217    HA   LYS  27           HA       LYS  27   3.392  -5.736   8.126
  218   1HB   LYS  27          2HB       LYS  27   5.352  -7.874   8.923
  219   2HB   LYS  27          1HB       LYS  27   4.516  -6.891  10.117
  220   1HG   LYS  27          2HG       LYS  27   2.456  -7.734   8.537
  221   2HG   LYS  27          1HG       LYS  27   3.543  -9.124   8.508
  222   1HD   LYS  27          2HD       LYS  27   2.768  -9.707  10.512
  223   2HD   LYS  27          1HD       LYS  27   3.478  -8.233  11.172
  224   1HE   LYS  27          2HE       LYS  27   1.259  -7.176  10.168
  225   2HE   LYS  27          1HE       LYS  27   0.669  -8.819  10.413
  226   1HZ   LYS  27          1HZ       LYS  27   0.222  -8.002  12.452
  227   2HZ   LYS  27          2HZ       LYS  27   1.409  -6.801  12.372
  228   3HZ   LYS  27          3HZ       LYS  27   1.842  -8.392  12.747
  229    H    GLU  28           H        GLU  28   4.286  -4.657  10.149
  230    HA   GLU  28           HA       GLU  28   5.964  -2.546   9.404
  231   1HB   GLU  28          2HB       GLU  28   5.818  -3.346  12.284
  232   2HB   GLU  28          1HB       GLU  28   5.742  -1.745  11.569
  233   1HG   GLU  28          2HG       GLU  28   3.462  -2.467  10.659
  234   2HG   GLU  28          1HG       GLU  28   3.577  -3.794  11.813
  235    H    GLY  29           H        GLY  29   8.151  -2.178   9.581
  236   1HA   GLY  29          2HA       GLY  29  10.382  -2.625   9.977
  237   2HA   GLY  29          1HA       GLY  29   9.874  -3.834  11.146
  238    H    ASP  30           H        ASP  30   8.347  -4.485   8.246
  239    HA   ASP  30           HA       ASP  30  10.319  -6.574   7.655
  240   1HB   ASP  30          2HB       ASP  30   7.518  -6.622   7.903
  241   2HB   ASP  30          1HB       ASP  30   7.851  -6.857   6.189
  242    H    THR  31           H        THR  31  10.895  -7.066   5.491
  243    HA   THR  31           HA       THR  31  10.905  -4.694   3.771
  244    HB   THR  31           HB       THR  31  12.582  -7.174   3.403
  245    HG1  THR  31           1HG      THR  31  13.283  -6.456   5.339
  246   1HG2  THR  31          1HG2      THR  31  13.948  -5.819   2.017
  247   2HG2  THR  31          2HG2      THR  31  13.149  -4.339   2.550
  248   3HG2  THR  31          3HG2      THR  31  12.287  -5.485   1.524
  249    H    VAL  32           H        VAL  32  10.462  -4.807   1.575
  250    HA   VAL  32           HA       VAL  32   8.718  -7.031   0.774
  251    HB   VAL  32           HB       VAL  32   8.332  -4.992  -1.082
  252   1HG1  VAL  32          1HG1      VAL  32   6.836  -6.603   0.546
  253   2HG1  VAL  32          2HG1      VAL  32   6.206  -5.418  -0.598
  254   3HG1  VAL  32          3HG1      VAL  32   6.416  -4.983   1.098
  255   1HG2  VAL  32          1HG2      VAL  32   7.614  -3.086   0.433
  256   2HG2  VAL  32          2HG2      VAL  32   9.344  -3.266   0.149
  257   3HG2  VAL  32          3HG2      VAL  32   8.638  -3.819   1.668
  258    H    SER  33           H        SER  33   8.665  -7.395  -1.635
  259    HA   SER  33           HA       SER  33  11.301  -7.000  -2.871
  260   1HB   SER  33          2HB       SER  33   9.968  -9.558  -3.500
  261   2HB   SER  33          1HB       SER  33  11.675  -9.212  -3.228
  262    HG   SER  33           HG       SER  33  10.893  -8.933  -0.916
  263    H    GLN  34           H        GLN  34  11.257  -7.321  -5.238
  264    HA   GLN  34           HA       GLN  34   9.277  -5.787  -6.447
  265   1HB   GLN  34          2HB       GLN  34  10.295  -6.336  -8.533
  266   2HB   GLN  34          1HB       GLN  34  11.581  -6.243  -7.337
  267   1HG   GLN  34          2HG       GLN  34  11.020  -8.859  -7.191
  268   2HG   GLN  34          1HG       GLN  34  10.573  -8.548  -8.868
  269   1HE2  GLN  34          1HE2      GLN  34  12.345  -6.792  -9.752
  270   2HE2  GLN  34          2HE2      GLN  34  13.956  -7.408  -9.651
  271    H    PHE  35           H        PHE  35   9.356  -9.177  -5.757
  272    HA   PHE  35           HA       PHE  35   7.006  -9.638  -7.454
  273   1HB   PHE  35          2HB       PHE  35   9.195 -11.328  -6.446
  274   2HB   PHE  35          1HB       PHE  35   7.604 -12.081  -6.383
  275    HD1  PHE  35           1HD      PHE  35   6.188 -11.817  -8.598
  276    HD2  PHE  35           2HD      PHE  35  10.427 -11.537  -8.365
  277    HE1  PHE  35           1HE      PHE  35   6.350 -12.349 -10.994
  278    HE2  PHE  35           2HE      PHE  35  10.597 -12.069 -10.761
  279    HZ   PHE  35           HZ       PHE  35   8.558 -12.476 -12.078
  280    H    ASP  36           H        ASP  36   7.949  -9.222  -4.176
  281    HA   ASP  36           HA       ASP  36   5.510 -10.447  -3.149
  282   1HB   ASP  36          2HB       ASP  36   8.012 -10.380  -2.116
  283   2HB   ASP  36          1HB       ASP  36   7.303  -8.988  -1.302
  284    H    SER  37           H        SER  37   3.804  -9.180  -3.590
  285    HA   SER  37           HA       SER  37   3.816  -6.363  -3.640
  286   1HB   SER  37          2HB       SER  37   1.529  -8.320  -3.322
  287   2HB   SER  37          1HB       SER  37   1.328  -6.595  -3.628
  288    HG   SER  37           HG       SER  37   2.725  -8.414  -5.305
  289    H    ILE  38           H        ILE  38   2.905  -4.849  -2.188
  290    HA   ILE  38           HA       ILE  38   3.405  -5.443   0.585
  291    HB   ILE  38           HB       ILE  38   2.292  -2.937  -0.692
  292   1HG1  ILE  38          2HG1      ILE  38   5.072  -3.868   0.001
  293   2HG1  ILE  38          1HG1      ILE  38   4.476  -3.260  -1.537
  294   1HG2  ILE  38          1HG2      ILE  38   1.994  -3.508   1.892
  295   2HG2  ILE  38          2HG2      ILE  38   2.340  -1.877   1.325
  296   3HG2  ILE  38          3HG2      ILE  38   3.641  -2.888   1.954
  297   1HD1  ILE  38          1HD1      ILE  38   6.007  -1.744  -0.229
  298   2HD1  ILE  38          2HD1      ILE  38   4.677  -1.534   0.911
  299   3HD1  ILE  38          3HD1      ILE  38   4.483  -1.038  -0.770
  300    H    CYS  39           H        CYS  39   0.553  -3.915  -0.892
  301    HA   CYS  39           HA       CYS  39  -1.175  -5.730   0.631
  302   1HB   CYS  39          2HB       CYS  39  -2.656  -3.511   0.852
  303   2HB   CYS  39          1HB       CYS  39  -1.495  -3.997   2.079
  304    HG   CYS  39           HG       CYS  39   0.135  -2.194  -0.077
  305    H    GLU  40           H        GLU  40  -3.361  -5.857  -0.202
  306    HA   GLU  40           HA       GLU  40  -3.722  -4.784  -2.904
  307   1HB   GLU  40          2HB       GLU  40  -2.809  -7.050  -3.165
  308   2HB   GLU  40          1HB       GLU  40  -4.108  -7.689  -2.166
  309   1HG   GLU  40          2HG       GLU  40  -5.424  -6.271  -4.145
  310   2HG   GLU  40          1HG       GLU  40  -4.084  -7.047  -4.986
  311    H    VAL  41           H        VAL  41  -5.658  -3.899  -3.145
  312    HA   VAL  41           HA       VAL  41  -7.814  -4.728  -1.311
  313    HB   VAL  41           HB       VAL  41  -8.804  -2.469  -1.739
  314   1HG1  VAL  41          1HG1      VAL  41  -6.304  -2.996  -0.264
  315   2HG1  VAL  41          2HG1      VAL  41  -7.864  -2.409   0.314
  316   3HG1  VAL  41          3HG1      VAL  41  -6.744  -1.301  -0.478
  317   1HG2  VAL  41          1HG2      VAL  41  -6.143  -1.527  -2.682
  318   2HG2  VAL  41          2HG2      VAL  41  -7.743  -0.824  -2.925
  319   3HG2  VAL  41          3HG2      VAL  41  -7.253  -2.245  -3.850
  320    H    GLN  42           H        GLN  42  -9.822  -5.183  -2.141
  321    HA   GLN  42           HA       GLN  42 -10.157  -4.967  -5.052
  322   1HB   GLN  42          2HB       GLN  42 -10.694  -7.414  -3.361
  323   2HB   GLN  42          1HB       GLN  42 -11.240  -7.228  -5.022
  324   1HG   GLN  42          2HG       GLN  42  -8.643  -6.726  -5.377
  325   2HG   GLN  42          1HG       GLN  42  -8.536  -7.764  -3.957
  326   1HE2  GLN  42          1HE2      GLN  42  -7.332  -8.907  -5.843
  327   2HE2  GLN  42          2HE2      GLN  42  -8.264 -10.086  -6.694
  328    H    SER  43           H        SER  43 -11.918  -3.840  -5.484
  329    HA   SER  43           HA       SER  43 -14.112  -3.825  -3.526
  330   1HB   SER  43          2HB       SER  43 -14.762  -1.758  -5.080
  331   2HB   SER  43          1HB       SER  43 -13.602  -1.593  -3.762
  332    HG   SER  43           HG       SER  43 -12.198  -1.052  -5.210
  333    H    ASP  44           H        ASP  44 -16.256  -4.079  -4.220
  334    HA   ASP  44           HA       ASP  44 -16.819  -6.053  -6.024
  335   1HB   ASP  44          2HB       ASP  44 -18.327  -4.710  -4.296
  336   2HB   ASP  44          1HB       ASP  44 -18.824  -3.858  -5.757
  337    H    LYS  45           H        LYS  45 -16.260  -2.678  -6.672
  338    HA   LYS  45           HA       LYS  45 -17.294  -2.777  -9.354
  339   1HB   LYS  45          2HB       LYS  45 -16.412  -0.509  -9.575
  340   2HB   LYS  45          1HB       LYS  45 -17.332  -0.679  -8.087
  341   1HG   LYS  45          2HG       LYS  45 -15.139  -1.031  -6.904
  342   2HG   LYS  45          1HG       LYS  45 -14.348  -0.551  -8.407
  343   1HD   LYS  45          2HD       LYS  45 -16.477   1.230  -7.367
  344   2HD   LYS  45          1HD       LYS  45 -14.955   1.186  -6.474
  345   1HE   LYS  45          2HE       LYS  45 -14.475   2.843  -7.971
  346   2HE   LYS  45          1HE       LYS  45 -13.930   1.442  -8.893
  347   1HZ   LYS  45          1HZ       LYS  45 -16.159   1.422  -9.956
  348   2HZ   LYS  45          2HZ       LYS  45 -15.244   2.800 -10.310
  349   3HZ   LYS  45          3HZ       LYS  45 -16.504   2.888  -9.183
  350    H    ALA  46           H        ALA  46 -14.024  -2.558  -7.930
  351    HA   ALA  46           HA       ALA  46 -12.990  -4.027 -10.219
  352   1HB   ALA  46          1HB       ALA  46 -12.862  -1.673 -10.903
  353   2HB   ALA  46          2HB       ALA  46 -11.266  -2.401 -10.732
  354   3HB   ALA  46          3HB       ALA  46 -11.880  -1.324  -9.480
  355    H    SER  47           H        SER  47 -10.730  -4.670  -9.947
  356    HA   SER  47           HA       SER  47 -10.035  -4.985  -7.101
  357   1HB   SER  47          2HB       SER  47  -8.651  -6.902  -8.687
  358   2HB   SER  47          1HB       SER  47  -9.914  -7.190  -7.490
  359    HG   SER  47           HG       SER  47 -10.909  -7.916  -9.219
  360    H    VAL  48           H        VAL  48  -8.042  -4.365  -6.424
  361    HA   VAL  48           HA       VAL  48  -6.082  -3.578  -8.473
  362    HB   VAL  48           HB       VAL  48  -6.473  -1.949  -5.977
  363   1HG1  VAL  48          1HG1      VAL  48  -4.591  -1.955  -8.070
  364   2HG1  VAL  48          2HG1      VAL  48  -4.754  -0.782  -6.764
  365   3HG1  VAL  48          3HG1      VAL  48  -5.590  -0.519  -8.293
  366   1HG2  VAL  48          1HG2      VAL  48  -7.575  -0.406  -7.929
  367   2HG2  VAL  48          2HG2      VAL  48  -8.497  -1.377  -6.781
  368   3HG2  VAL  48          3HG2      VAL  48  -8.147  -2.009  -8.390
  369    H    THR  49           H        THR  49  -4.044  -4.190  -8.093
  370    HA   THR  49           HA       THR  49  -3.384  -5.243  -5.418
  371    HB   THR  49           HB       THR  49  -2.106  -6.990  -6.348
  372    HG1  THR  49           1HG      THR  49  -2.471  -5.886  -8.948
  373   1HG2  THR  49          1HG2      THR  49  -3.978  -8.116  -6.780
  374   2HG2  THR  49          2HG2      THR  49  -3.907  -7.529  -8.441
  375   3HG2  THR  49          3HG2      THR  49  -4.817  -6.631  -7.227
  376    H    ILE  50           H        ILE  50  -1.611  -4.412  -4.461
  377    HA   ILE  50           HA       ILE  50  -0.096  -2.415  -5.970
  378    HB   ILE  50           HB       ILE  50  -0.059  -2.873  -2.995
  379   1HG1  ILE  50          2HG1      ILE  50  -2.338  -2.364  -3.725
  380   2HG1  ILE  50          1HG1      ILE  50  -1.647  -0.999  -2.857
  381   1HG2  ILE  50          1HG2      ILE  50   1.711  -1.490  -4.449
  382   2HG2  ILE  50          2HG2      ILE  50   1.231  -1.025  -2.816
  383   3HG2  ILE  50          3HG2      ILE  50   0.493  -0.238  -4.212
  384   1HD1  ILE  50          1HD1      ILE  50  -2.833  -0.153  -4.733
  385   2HD1  ILE  50          2HD1      ILE  50  -2.026  -1.280  -5.823
  386   3HD1  ILE  50          3HD1      ILE  50  -1.112   0.027  -5.072
  387    H    THR  51           H        THR  51   1.668  -3.167  -6.919
  388    HA   THR  51           HA       THR  51   3.279  -5.234  -5.638
  389    HB   THR  51           HB       THR  51   4.581  -5.255  -7.723
  390    HG1  THR  51           1HG      THR  51   2.721  -3.287  -8.618
  391   1HG2  THR  51          1HG2      THR  51   2.942  -6.283  -9.096
  392   2HG2  THR  51          2HG2      THR  51   1.645  -5.322  -8.387
  393   3HG2  THR  51          3HG2      THR  51   2.441  -6.571  -7.430
  394    H    SER  52           H        SER  52   5.790  -4.771  -6.208
  395    HA   SER  52           HA       SER  52   6.366  -2.120  -5.058
  396   1HB   SER  52          2HB       SER  52   8.128  -4.533  -4.686
  397   2HB   SER  52          1HB       SER  52   8.094  -3.043  -3.744
  398    HG   SER  52           HG       SER  52   6.244  -3.689  -2.770
  399    H    ARG  53           H        ARG  53   7.471  -4.631  -7.278
  400    HA   ARG  53           HA       ARG  53   8.825  -4.594  -9.089
  401   1HB   ARG  53          2HB       ARG  53   8.770  -2.769 -10.487
  402   2HB   ARG  53          1HB       ARG  53   7.374  -2.448  -9.477
  403   1HG   ARG  53          2HG       ARG  53   8.199  -0.461  -8.968
  404   2HG   ARG  53          1HG       ARG  53   9.631  -1.206  -8.264
  405   1HD   ARG  53          2HD       ARG  53  10.162   0.417 -10.049
  406   2HD   ARG  53          1HD       ARG  53  10.744  -1.211 -10.398
  407    HE   ARG  53           HE       ARG  53   8.192  -0.852 -11.540
  408   1HH1  ARG  53          1HH1      ARG  53  11.502   0.163 -11.949
  409   2HH1  ARG  53          2HH1      ARG  53  11.349   0.412 -13.656
  410   1HH2  ARG  53          1HH2      ARG  53   7.988  -0.528 -13.794
  411   2HH2  ARG  53          2HH2      ARG  53   9.357   0.022 -14.703
  412    H    TYR  54           H        TYR  54   9.782  -3.938  -6.177
  413    HA   TYR  54           HA       TYR  54  12.537  -4.167  -6.656
  414   1HB   TYR  54          2HB       TYR  54  11.534  -1.486  -6.705
  415   2HB   TYR  54          1HB       TYR  54  12.486  -1.692  -5.240
  416    HD1  TYR  54           1HD      TYR  54  14.884  -2.271  -5.394
  417    HD2  TYR  54           2HD      TYR  54  12.567  -1.459  -8.867
  418    HE1  TYR  54           1HE      TYR  54  16.949  -1.966  -6.693
  419    HE2  TYR  54           2HE      TYR  54  14.623  -1.157 -10.176
  420    HH   TYR  54           HH       TYR  54  17.154  -2.091  -9.876
  421    H    ASP  55           H        ASP  55  13.744  -3.832  -4.455
  422    HA   ASP  55           HA       ASP  55  11.978  -4.950  -2.400
  423   1HB   ASP  55          2HB       ASP  55  14.991  -4.805  -2.278
  424   2HB   ASP  55          1HB       ASP  55  13.914  -5.830  -1.335
  425    H    GLY  56           H        GLY  56  11.353  -3.792  -0.705
  426   1HA   GLY  56          2HA       GLY  56  12.987  -1.481   0.087
  427   2HA   GLY  56          1HA       GLY  56  11.270  -1.263  -0.215
  428    H    VAL  57           H        VAL  57  12.383  -0.579   2.204
  429    HA   VAL  57           HA       VAL  57  11.681  -2.773   4.023
  430    HB   VAL  57           HB       VAL  57  12.914  -0.142   4.813
  431   1HG1  VAL  57          1HG1      VAL  57  13.621  -2.523   6.311
  432   2HG1  VAL  57          2HG1      VAL  57  11.882  -2.227   6.303
  433   3HG1  VAL  57          3HG1      VAL  57  12.987  -0.978   6.876
  434   1HG2  VAL  57          1HG2      VAL  57  14.225  -2.631   3.768
  435   2HG2  VAL  57          2HG2      VAL  57  15.070  -1.521   4.846
  436   3HG2  VAL  57          3HG2      VAL  57  14.485  -0.954   3.283
  437    H    ILE  58           H        ILE  58   9.772  -2.804   4.980
  438    HA   ILE  58           HA       ILE  58   8.147  -0.360   5.030
  439    HB   ILE  58           HB       ILE  58   7.253  -3.179   5.644
  440   1HG1  ILE  58          2HG1      ILE  58   7.022  -1.668   3.036
  441   2HG1  ILE  58          1HG1      ILE  58   8.213  -2.929   3.348
  442   1HG2  ILE  58          1HG2      ILE  58   5.605  -1.794   6.475
  443   2HG2  ILE  58          2HG2      ILE  58   5.045  -2.072   4.824
  444   3HG2  ILE  58          3HG2      ILE  58   5.868  -0.566   5.237
  445   1HD1  ILE  58          1HD1      ILE  58   5.761  -3.309   2.230
  446   2HD1  ILE  58          2HD1      ILE  58   5.475  -3.745   3.915
  447   3HD1  ILE  58          3HD1      ILE  58   6.741  -4.559   2.998
  448    H    LYS  59           H        LYS  59   7.875   0.728   6.868
  449    HA   LYS  59           HA       LYS  59   8.952  -0.443   9.317
  450   1HB   LYS  59          2HB       LYS  59   9.517   1.891   8.280
  451   2HB   LYS  59          1HB       LYS  59   8.060   2.392   9.129
  452   1HG   LYS  59          2HG       LYS  59   8.980   1.738  11.236
  453   2HG   LYS  59          1HG       LYS  59  10.380   1.003  10.451
  454   1HD   LYS  59          2HD       LYS  59   9.814   3.878   9.926
  455   2HD   LYS  59          1HD       LYS  59  10.490   3.433  11.495
  456   1HE   LYS  59          2HE       LYS  59  12.381   2.385  10.438
  457   2HE   LYS  59          1HE       LYS  59  11.675   2.632   8.841
  458   1HZ   LYS  59          1HZ       LYS  59  12.994   4.552  10.606
  459   2HZ   LYS  59          2HZ       LYS  59  11.718   5.122   9.654
  460   3HZ   LYS  59          3HZ       LYS  59  13.062   4.407   8.922
  461    H    LYS  60           H        LYS  60   5.841   0.692   8.094
  462    HA   LYS  60           HA       LYS  60   4.635  -0.393  10.493
  463   1HB   LYS  60          2HB       LYS  60   3.592   1.548  11.290
  464   2HB   LYS  60          1HB       LYS  60   5.250   2.026  10.967
  465   1HG   LYS  60          2HG       LYS  60   2.981   2.506   9.051
  466   2HG   LYS  60          1HG       LYS  60   3.498   3.670  10.273
  467   1HD   LYS  60          2HD       LYS  60   5.282   2.539   8.119
  468   2HD   LYS  60          1HD       LYS  60   4.459   4.094   8.023
  469   1HE   LYS  60          2HE       LYS  60   6.442   3.313  10.157
  470   2HE   LYS  60          1HE       LYS  60   6.819   4.280   8.735
  471   1HZ   LYS  60          1HZ       LYS  60   6.448   5.748  10.542
  472   2HZ   LYS  60          2HZ       LYS  60   4.990   4.999  10.955
  473   3HZ   LYS  60          3HZ       LYS  60   5.108   5.884   9.519
  474    H    LEU  61           H        LEU  61   2.468  -0.827  10.373
  475    HA   LEU  61           HA       LEU  61   1.097  -0.341   7.832
  476   1HB   LEU  61          2HB       LEU  61   1.688  -2.999   9.100
  477   2HB   LEU  61          1HB       LEU  61   0.257  -2.792   8.104
  478    HG   LEU  61           HG       LEU  61   3.099  -2.328   7.187
  479   1HD1  LEU  61          1HD1      LEU  61   1.683  -4.381   5.792
  480   2HD1  LEU  61          2HD1      LEU  61   1.688  -4.729   7.518
  481   3HD1  LEU  61          3HD1      LEU  61   3.210  -4.474   6.665
  482   1HD2  LEU  61          1HD2      LEU  61   1.932  -0.934   5.821
  483   2HD2  LEU  61          2HD2      LEU  61   0.440  -1.859   5.962
  484   3HD2  LEU  61          3HD2      LEU  61   1.747  -2.445   4.933
  485    H    TYR  62           H        TYR  62  -0.738   0.669   8.336
  486    HA   TYR  62           HA       TYR  62  -1.898   0.346  10.989
  487   1HB   TYR  62          2HB       TYR  62  -1.488   2.593   9.892
  488   2HB   TYR  62          1HB       TYR  62  -2.812   2.206   8.800
  489    HD1  TYR  62           1HD      TYR  62  -5.090   1.637   9.905
  490    HD2  TYR  62           2HD      TYR  62  -1.922   3.644  11.914
  491    HE1  TYR  62           1HE      TYR  62  -6.700   2.532  11.538
  492    HE2  TYR  62           2HE      TYR  62  -3.519   4.541  13.552
  493    HH   TYR  62           HH       TYR  62  -6.223   5.036  13.408
  494    H    TYR  63           H        TYR  63  -2.937   0.050   7.594
  495    HA   TYR  63           HA       TYR  63  -5.495  -1.032   8.448
  496   1HB   TYR  63          2HB       TYR  63  -4.423  -0.584   5.657
  497   2HB   TYR  63          1HB       TYR  63  -6.079  -1.014   6.071
  498    HD1  TYR  63           1HD      TYR  63  -7.657   0.661   6.415
  499    HD2  TYR  63           2HD      TYR  63  -3.523   1.639   6.643
  500    HE1  TYR  63           1HE      TYR  63  -8.238   3.046   6.592
  501    HE2  TYR  63           2HE      TYR  63  -4.091   4.026   6.824
  502    HH   TYR  63           HH       TYR  63  -7.203   5.227   6.181
  503    H    ASN  64           H        ASN  64  -6.270  -3.070   7.925
  504    HA   ASN  64           HA       ASN  64  -4.249  -5.038   7.096
  505   1HB   ASN  64          2HB       ASN  64  -6.361  -5.417   9.228
  506   2HB   ASN  64          1HB       ASN  64  -5.239  -6.657   8.659
  507   1HD2  ASN  64          1HD2      ASN  64  -4.545  -6.844  10.848
  508   2HD2  ASN  64          2HD2      ASN  64  -3.422  -5.711  11.511
  509    H    LEU  65           H        LEU  65  -5.604  -7.245   6.902
  510    HA   LEU  65           HA       LEU  65  -6.950  -7.135   4.501
  511   1HB   LEU  65          2HB       LEU  65  -6.856  -9.163   6.705
  512   2HB   LEU  65          1HB       LEU  65  -7.736  -9.454   5.227
  513    HG   LEU  65           HG       LEU  65  -5.161  -8.610   4.456
  514   1HD1  LEU  65          1HD1      LEU  65  -5.167 -10.510   6.776
  515   2HD1  LEU  65          2HD1      LEU  65  -4.182  -9.068   6.528
  516   3HD1  LEU  65          3HD1      LEU  65  -3.877 -10.518   5.571
  517   1HD2  LEU  65          1HD2      LEU  65  -5.198 -10.523   3.204
  518   2HD2  LEU  65          2HD2      LEU  65  -6.915 -10.359   3.566
  519   3HD2  LEU  65          3HD2      LEU  65  -5.925 -11.487   4.492
  520    H    ASP  66           H        ASP  66  -8.171  -6.469   7.658
  521    HA   ASP  66           HA       ASP  66 -10.931  -6.847   6.722
  522   1HB   ASP  66          2HB       ASP  66  -9.989  -7.902   8.903
  523   2HB   ASP  66          1HB       ASP  66 -10.214  -6.290   9.575
  524    H    ASP  67           H        ASP  67  -8.693  -4.390   7.767
  525    HA   ASP  67           HA       ASP  67 -10.723  -2.429   8.292
  526   1HB   ASP  67          2HB       ASP  67  -7.936  -2.645   8.727
  527   2HB   ASP  67          1HB       ASP  67  -8.198  -1.198   7.759
  528    H    ILE  68           H        ILE  68 -11.038  -0.473   7.154
  529    HA   ILE  68           HA       ILE  68 -10.689  -0.741   4.239
  530    HB   ILE  68           HB       ILE  68 -12.603   1.232   5.373
  531   1HG1  ILE  68          2HG1      ILE  68 -12.962  -0.995   6.590
  532   2HG1  ILE  68          1HG1      ILE  68 -14.355  -0.306   5.765
  533   1HG2  ILE  68          1HG2      ILE  68 -13.731   0.940   3.334
  534   2HG2  ILE  68          2HG2      ILE  68 -12.932  -0.597   3.016
  535   3HG2  ILE  68          3HG2      ILE  68 -12.013   0.907   2.924
  536   1HD1  ILE  68          1HD1      ILE  68 -12.756  -2.139   4.150
  537   2HD1  ILE  68          2HD1      ILE  68 -14.505  -2.018   4.336
  538   3HD1  ILE  68          3HD1      ILE  68 -13.544  -2.873   5.545
  539    H    ALA  69           H        ALA  69  -9.858   0.902   3.076
  540    HA   ALA  69           HA       ALA  69  -8.800   3.173   4.611
  541   1HB   ALA  69          1HB       ALA  69  -6.956   3.279   3.054
  542   2HB   ALA  69          2HB       ALA  69  -7.652   1.977   2.090
  543   3HB   ALA  69          3HB       ALA  69  -7.068   1.648   3.721
  544    H    TYR  70           H        TYR  70  -8.672   5.196   3.485
  545    HA   TYR  70           HA       TYR  70 -10.547   5.477   1.242
  546   1HB   TYR  70          2HB       TYR  70 -11.518   7.448   2.253
  547   2HB   TYR  70          1HB       TYR  70 -11.620   6.117   3.402
  548    HD1  TYR  70           1HD      TYR  70  -9.805   5.985   5.217
  549    HD2  TYR  70           2HD      TYR  70 -10.538   9.464   2.883
  550    HE1  TYR  70           1HE      TYR  70  -8.668   7.355   6.914
  551    HE2  TYR  70           2HE      TYR  70  -9.404  10.845   4.569
  552    HH   TYR  70           HH       TYR  70  -8.677  10.852   6.764
  553    H    VAL  71           H        VAL  71  -9.831   6.742  -0.387
  554    HA   VAL  71           HA       VAL  71  -7.176   7.484  -0.625
  555    HB   VAL  71           HB       VAL  71  -9.419   8.883  -2.076
  556   1HG1  VAL  71          1HG1      VAL  71  -6.845   8.112  -3.337
  557   2HG1  VAL  71          2HG1      VAL  71  -6.835   9.466  -2.206
  558   3HG1  VAL  71          3HG1      VAL  71  -7.874   9.511  -3.631
  559   1HG2  VAL  71          1HG2      VAL  71  -9.935   6.590  -2.323
  560   2HG2  VAL  71          2HG2      VAL  71  -8.240   6.156  -2.530
  561   3HG2  VAL  71          3HG2      VAL  71  -9.074   7.050  -3.792
  562    H    GLY  72           H        GLY  72  -5.990   9.295  -0.235
  563   1HA   GLY  72          2HA       GLY  72  -6.027  11.761   0.024
  564   2HA   GLY  72          1HA       GLY  72  -7.391  11.526   1.104
  565    H    LYS  73           H        LYS  73  -5.251   9.036   1.672
  566    HA   LYS  73           HA       LYS  73  -3.467  10.499   3.412
  567   1HB   LYS  73          2HB       LYS  73  -5.904   9.250   4.394
  568   2HB   LYS  73          1HB       LYS  73  -4.475   8.607   5.186
  569   1HG   LYS  73          2HG       LYS  73  -5.064  11.548   4.970
  570   2HG   LYS  73          1HG       LYS  73  -5.575  10.548   6.330
  571   1HD   LYS  73          2HD       LYS  73  -2.757  11.132   5.436
  572   2HD   LYS  73          1HD       LYS  73  -3.535  11.643   6.933
  573   1HE   LYS  73          2HE       LYS  73  -3.753   9.242   7.561
  574   2HE   LYS  73          1HE       LYS  73  -2.811   8.829   6.129
  575   1HZ   LYS  73          1HZ       LYS  73  -1.262   8.898   7.841
  576   2HZ   LYS  73          2HZ       LYS  73  -1.935  10.281   8.547
  577   3HZ   LYS  73          3HZ       LYS  73  -1.079  10.405   7.093
  578    HA   PRO  74           HA       PRO  74  -0.792   7.161   2.123
  579   1HB   PRO  74          2HB       PRO  74   0.508   7.866   4.725
  580   2HB   PRO  74          1HB       PRO  74   1.239   7.640   3.129
  581   1HG   PRO  74          2HG       PRO  74   0.899  10.086   4.033
  582   2HG   PRO  74          1HG       PRO  74   0.466   9.711   2.348
  583   1HD   PRO  74          2HD       PRO  74  -1.322  10.026   4.736
  584   2HD   PRO  74          1HD       PRO  74  -1.539  10.634   3.080
  585    H    LEU  75           H        LEU  75  -0.541   5.013   2.596
  586    HA   LEU  75           HA       LEU  75  -2.017   4.050   4.942
  587   1HB   LEU  75          2HB       LEU  75  -2.744   3.349   2.643
  588   2HB   LEU  75          1HB       LEU  75  -1.223   2.491   2.486
  589    HG   LEU  75           HG       LEU  75  -2.387   1.619   4.906
  590   1HD1  LEU  75          1HD1      LEU  75  -4.352   1.456   2.625
  591   2HD1  LEU  75          2HD1      LEU  75  -4.504   2.554   3.996
  592   3HD1  LEU  75          3HD1      LEU  75  -4.545   0.811   4.257
  593   1HD2  LEU  75          1HD2      LEU  75  -0.913   0.385   3.313
  594   2HD2  LEU  75          2HD2      LEU  75  -2.306   0.205   2.247
  595   3HD2  LEU  75          3HD2      LEU  75  -2.325  -0.524   3.850
  596    H    VAL  76           H        VAL  76   0.968   3.419   3.090
  597    HA   VAL  76           HA       VAL  76   2.217   2.546   5.600
  598    HB   VAL  76           HB       VAL  76   1.532   0.473   4.556
  599   1HG1  VAL  76          1HG1      VAL  76   2.270  -0.189   2.349
  600   2HG1  VAL  76          2HG1      VAL  76   3.117   1.344   2.147
  601   3HG1  VAL  76          3HG1      VAL  76   1.358   1.319   2.255
  602   1HG2  VAL  76          1HG2      VAL  76   4.454   0.598   3.943
  603   2HG2  VAL  76          2HG2      VAL  76   3.533  -0.661   4.767
  604   3HG2  VAL  76          3HG2      VAL  76   3.898   0.852   5.597
  605    H    ASP  77           H        ASP  77   4.502   2.708   5.662
  606    HA   ASP  77           HA       ASP  77   5.619   4.430   3.550
  607   1HB   ASP  77          2HB       ASP  77   6.783   4.213   6.316
  608   2HB   ASP  77          1HB       ASP  77   7.026   5.477   5.124
  609    H    ILE  78           H        ILE  78   7.163   3.583   2.331
  610    HA   ILE  78           HA       ILE  78   8.838   1.452   3.453
  611    HB   ILE  78           HB       ILE  78   8.023   1.204   0.601
  612   1HG1  ILE  78          2HG1      ILE  78   6.202  -0.431   1.586
  613   2HG1  ILE  78          1HG1      ILE  78   6.266   0.667   2.963
  614   1HG2  ILE  78          1HG2      ILE  78   8.325  -1.189   1.105
  615   2HG2  ILE  78          2HG2      ILE  78   8.710  -0.766   2.772
  616   3HG2  ILE  78          3HG2      ILE  78   9.761  -0.230   1.463
  617   1HD1  ILE  78          1HD1      ILE  78   4.687   0.967   0.760
  618   2HD1  ILE  78          2HD1      ILE  78   6.044   2.038   0.404
  619   3HD1  ILE  78          3HD1      ILE  78   5.123   2.244   1.895
  620    H    GLU  79           H        GLU  79  10.912   1.253   2.564
  621    HA   GLU  79           HA       GLU  79  11.811   3.641   1.117
  622   1HB   GLU  79          2HB       GLU  79  13.416   1.532   2.580
  623   2HB   GLU  79          1HB       GLU  79  14.076   2.973   1.820
  624   1HG   GLU  79          2HG       GLU  79  12.812   4.370   3.377
  625   2HG   GLU  79          1HG       GLU  79  12.167   2.921   4.146
  626    H    THR  80           H        THR  80  11.982   3.449  -0.993
  627    HA   THR  80           HA       THR  80  13.087   0.998  -2.148
  628    HB   THR  80           HB       THR  80  11.315   1.465  -4.069
  629    HG1  THR  80           1HG      THR  80   9.730   2.107  -1.817
  630   1HG2  THR  80          1HG2      THR  80  10.266  -0.450  -3.403
  631   2HG2  THR  80          2HG2      THR  80  10.110   0.087  -1.731
  632   3HG2  THR  80          3HG2      THR  80  11.656  -0.523  -2.320
  633    H    GLU  81           H        GLU  81  13.931   1.320  -4.344
  634    HA   GLU  81           HA       GLU  81  15.471   3.623  -4.584
  635   1HB   GLU  81          2HB       GLU  81  15.187   1.228  -5.999
  636   2HB   GLU  81          1HB       GLU  81  14.857   2.485  -7.183
  637   1HG   GLU  81          2HG       GLU  81  17.167   2.017  -7.304
  638   2HG   GLU  81          1HG       GLU  81  17.006   3.571  -6.487
  639    H    ALA  82           H        ALA  82  15.330   5.441  -5.957
  640    HA   ALA  82           HA       ALA  82  13.100   6.941  -5.908
  641   1HB   ALA  82          1HB       ALA  82  15.407   6.899  -7.777
  642   2HB   ALA  82          2HB       ALA  82  14.908   8.132  -6.621
  643   3HB   ALA  82          3HB       ALA  82  14.046   7.955  -8.149
  644    H    LEU  83           H        LEU  83  11.103   6.469  -6.473
  645    HA   LEU  83           HA       LEU  83  10.619   5.281  -9.127
  646   1HB   LEU  83          2HB       LEU  83   9.628   4.551  -6.474
  647   2HB   LEU  83          1HB       LEU  83   8.345   4.770  -7.648
  648    HG   LEU  83           HG       LEU  83  10.369   3.188  -8.873
  649   1HD1  LEU  83          1HD1      LEU  83  10.158   1.202  -7.306
  650   2HD1  LEU  83          2HD1      LEU  83   9.650   2.358  -6.075
  651   3HD1  LEU  83          3HD1      LEU  83  11.249   2.492  -6.806
  652   1HD2  LEU  83          1HD2      LEU  83   8.296   2.769  -9.688
  653   2HD2  LEU  83          2HD2      LEU  83   7.515   2.981  -8.121
  654   3HD2  LEU  83          3HD2      LEU  83   8.361   1.477  -8.487
  655    H    LYS  84           H        LYS  84   9.004   6.190 -10.388
  656    HA   LYS  84           HA       LYS  84   8.245   8.889  -9.650
  657   1HB   LYS  84          2HB       LYS  84   7.461   9.101 -11.943
  658   2HB   LYS  84          1HB       LYS  84   9.083   8.426 -11.912
  659   1HG   LYS  84          2HG       LYS  84   7.748   6.146 -11.976
  660   2HG   LYS  84          1HG       LYS  84   6.518   7.173 -12.716
  661   1HD   LYS  84          2HD       LYS  84   9.377   6.915 -13.651
  662   2HD   LYS  84          1HD       LYS  84   7.984   6.123 -14.391
  663   1HE   LYS  84          2HE       LYS  84   8.054   7.947 -15.732
  664   2HE   LYS  84          1HE       LYS  84   7.102   8.644 -14.422
  665   1HZ   LYS  84          1HZ       LYS  84   9.994   8.829 -14.162
  666   2HZ   LYS  84          2HZ       LYS  84   8.797   9.957 -13.766
  667   3HZ   LYS  84          3HZ       LYS  84   9.292   9.779 -15.374
  668    H    ASP  85           H        ASP  85   6.771   5.758  -9.853
  669    HA   ASP  85           HA       ASP  85   4.115   6.269 -10.234
  670   1HB   ASP  85          2HB       ASP  85   5.392   4.347  -8.284
  671   2HB   ASP  85          1HB       ASP  85   3.678   4.336  -8.692
  672    H    LEU  86           H        LEU  86   5.963   6.771  -7.265
  673    HA   LEU  86           HA       LEU  86   3.584   8.017  -6.059
  674   1HB   LEU  86          2HB       LEU  86   5.182   6.027  -5.046
  675   2HB   LEU  86          1HB       LEU  86   5.852   7.458  -4.290
  676    HG   LEU  86           HG       LEU  86   4.093   6.253  -2.957
  677   1HD1  LEU  86          1HD1      LEU  86   2.731   8.657  -2.922
  678   2HD1  LEU  86          2HD1      LEU  86   4.334   9.086  -3.520
  679   3HD1  LEU  86          3HD1      LEU  86   4.163   8.248  -1.978
  680   1HD2  LEU  86          1HD2      LEU  86   2.007   5.934  -3.707
  681   2HD2  LEU  86          2HD2      LEU  86   2.700   6.209  -5.305
  682   3HD2  LEU  86          3HD2      LEU  86   1.923   7.536  -4.442
  683    H    GLU  87           H        GLU  87   6.909   8.503  -6.974
  684    HA   GLU  87           HA       GLU  87   6.707  11.296  -6.055
  685   1HB   GLU  87          2HB       GLU  87   9.003   9.374  -5.930
  686   2HB   GLU  87          1HB       GLU  87   9.318  11.098  -6.065
  687   1HG   GLU  87          2HG       GLU  87   7.755  11.336  -4.044
  688   2HG   GLU  87          1HG       GLU  87   7.993   9.602  -3.840
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  19.734   5.230   5.089
    2   2H    MET   1          2HT       MET   1  18.336   4.961   4.177
    3   3H    MET   1          3HT       MET   1  18.221   5.643   5.720
    4    HA   MET   1           HA       MET   1  19.964   7.251   4.280
    5   1HB   MET   1          2HB       MET   1  18.897   6.120   2.306
    6   2HB   MET   1          1HB       MET   1  17.355   6.790   2.823
    7   1HG   MET   1          2HG       MET   1  18.141   8.220   1.142
    8   2HG   MET   1          1HG       MET   1  18.436   9.066   2.661
    9   1HE   MET   1          1HE       MET   1  20.760   8.434  -0.737
   10   2HE   MET   1          2HE       MET   1  19.481   7.315  -0.264
   11   3HE   MET   1          3HE       MET   1  21.173   6.857  -0.064
   12    H    GLY   2           H        GLY   2  16.517   6.800   5.058
   13   1HA   GLY   2          2HA       GLY   2  15.702   8.050   7.026
   14   2HA   GLY   2          1HA       GLY   2  16.611   9.423   6.418
   15    H    GLN   3           H        GLN   3  14.988   7.505   4.075
   16    HA   GLN   3           HA       GLN   3  12.663   9.288   4.079
   17   1HB   GLN   3          2HB       GLN   3  14.655   8.945   1.873
   18   2HB   GLN   3          1HB       GLN   3  12.969   9.249   1.476
   19   1HG   GLN   3          2HG       GLN   3  13.147  11.409   1.959
   20   2HG   GLN   3          1HG       GLN   3  13.946  11.079   3.495
   21   1HE2  GLN   3          1HE2      GLN   3  14.328  12.065   0.251
   22   2HE2  GLN   3          2HE2      GLN   3  16.041  12.285   0.275
   23    H    VAL   4           H        VAL   4  10.788   8.380   3.305
   24    HA   VAL   4           HA       VAL   4  10.928   5.680   2.183
   25    HB   VAL   4           HB       VAL   4   9.251   4.797   3.682
   26   1HG1  VAL   4          1HG1      VAL   4  10.796   4.224   5.171
   27   2HG1  VAL   4          2HG1      VAL   4  10.893   5.866   5.808
   28   3HG1  VAL   4          3HG1      VAL   4  11.857   5.407   4.404
   29   1HG2  VAL   4          1HG2      VAL   4   8.670   6.228   5.741
   30   2HG2  VAL   4          2HG2      VAL   4   7.843   6.565   4.221
   31   3HG2  VAL   4          3HG2      VAL   4   9.174   7.596   4.748
   32    H    VAL   5           H        VAL   5   9.218   5.113   0.871
   33    HA   VAL   5           HA       VAL   5   7.487   7.330   0.047
   34    HB   VAL   5           HB       VAL   5   6.945   5.785  -1.896
   35   1HG1  VAL   5          1HG1      VAL   5   9.165   6.193  -3.012
   36   2HG1  VAL   5          2HG1      VAL   5   9.747   6.794  -1.460
   37   3HG1  VAL   5          3HG1      VAL   5   8.412   7.608  -2.277
   38   1HG2  VAL   5          1HG2      VAL   5   9.396   4.279  -1.000
   39   2HG2  VAL   5          2HG2      VAL   5   8.318   3.901  -2.344
   40   3HG2  VAL   5          3HG2      VAL   5   7.753   3.721  -0.685
   41    H    GLN   6           H        GLN   6   5.461   7.349   0.780
   42    HA   GLN   6           HA       GLN   6   4.418   4.886   1.937
   43   1HB   GLN   6          2HB       GLN   6   3.704   7.779   2.313
   44   2HB   GLN   6          1HB       GLN   6   2.673   6.483   2.907
   45   1HG   GLN   6          2HG       GLN   6   4.013   6.034   4.621
   46   2HG   GLN   6          1HG       GLN   6   5.477   6.191   3.652
   47   1HE2  GLN   6          1HE2      GLN   6   5.980   8.509   3.016
   48   2HE2  GLN   6          2HE2      GLN   6   5.809   9.698   4.259
   49    H    PHE   7           H        PHE   7   2.509   3.978   1.421
   50    HA   PHE   7           HA       PHE   7   1.318   4.847  -1.107
   51   1HB   PHE   7          2HB       PHE   7   2.015   2.604  -1.316
   52   2HB   PHE   7          1HB       PHE   7   1.475   2.191   0.307
   53    HD1  PHE   7           1HD      PHE   7   0.258   3.096  -3.076
   54    HD2  PHE   7           2HD      PHE   7  -0.638   1.287   0.668
   55    HE1  PHE   7           1HE      PHE   7  -1.870   2.269  -3.989
   56    HE2  PHE   7           2HE      PHE   7  -2.764   0.455  -0.236
   57    HZ   PHE   7           HZ       PHE   7  -3.387   0.944  -2.569
   58    H    LYS   8           H        LYS   8  -0.845   5.238  -1.286
   59    HA   LYS   8           HA       LYS   8  -2.430   5.211   1.196
   60   1HB   LYS   8          2HB       LYS   8  -3.460   7.305   0.548
   61   2HB   LYS   8          1HB       LYS   8  -1.714   7.509   0.582
   62   1HG   LYS   8          2HG       LYS   8  -2.650   6.708  -2.035
   63   2HG   LYS   8          1HG       LYS   8  -3.417   8.198  -1.480
   64   1HD   LYS   8          2HD       LYS   8  -0.441   7.732  -1.409
   65   2HD   LYS   8          1HD       LYS   8  -1.273   8.503  -2.761
   66   1HE   LYS   8          2HE       LYS   8  -2.144   9.749  -0.364
   67   2HE   LYS   8          1HE       LYS   8  -0.383   9.664  -0.324
   68   1HZ   LYS   8          1HZ       LYS   8  -1.542  11.660  -1.454
   69   2HZ   LYS   8          2HZ       LYS   8  -1.741  10.603  -2.758
   70   3HZ   LYS   8          3HZ       LYS   8  -0.189  10.964  -2.193
   71    H    LEU   9           H        LEU   9  -4.582   4.632   1.007
   72    HA   LEU   9           HA       LEU   9  -5.365   2.772  -0.843
   73   1HB   LEU   9          2HB       LEU   9  -6.509   3.313   1.289
   74   2HB   LEU   9          1HB       LEU   9  -7.164   4.758   0.553
   75    HG   LEU   9           HG       LEU   9  -8.804   2.924   0.698
   76   1HD1  LEU   9          1HD1      LEU   9  -8.499   4.676  -1.289
   77   2HD1  LEU   9          2HD1      LEU   9  -9.814   3.502  -1.230
   78   3HD1  LEU   9          3HD1      LEU   9  -8.382   3.175  -2.208
   79   1HD2  LEU   9          1HD2      LEU   9  -8.310   0.844   0.185
   80   2HD2  LEU   9          2HD2      LEU   9  -6.673   1.348  -0.249
   81   3HD2  LEU   9          3HD2      LEU   9  -7.941   1.316  -1.476
   82    H    SER  10           H        SER  10  -5.490   2.924  -2.983
   83    HA   SER  10           HA       SER  10  -6.360   5.470  -4.171
   84   1HB   SER  10          2HB       SER  10  -4.993   5.063  -6.003
   85   2HB   SER  10          1HB       SER  10  -4.049   4.350  -4.696
   86    HG   SER  10           HG       SER  10  -5.006   2.318  -5.281
   87    H    ASP  11           H        ASP  11  -7.322   5.068  -6.464
   88    HA   ASP  11           HA       ASP  11  -8.870   4.091  -7.850
   89   1HB   ASP  11          2HB       ASP  11  -8.080   1.861  -6.697
   90   2HB   ASP  11          1HB       ASP  11  -9.621   1.993  -5.853
   91    H    ILE  12           H        ILE  12  -9.375   5.042  -4.612
   92    HA   ILE  12           HA       ILE  12 -12.250   5.388  -5.095
   93    HB   ILE  12           HB       ILE  12 -10.692   5.245  -2.510
   94   1HG1  ILE  12          2HG1      ILE  12 -12.396   3.383  -2.116
   95   2HG1  ILE  12          1HG1      ILE  12 -12.782   3.520  -3.828
   96   1HG2  ILE  12          1HG2      ILE  12 -12.956   5.459  -1.416
   97   2HG2  ILE  12          2HG2      ILE  12 -13.557   6.036  -2.970
   98   3HG2  ILE  12          3HG2      ILE  12 -12.303   6.939  -2.121
   99   1HD1  ILE  12          1HD1      ILE  12 -10.826   1.937  -2.696
  100   2HD1  ILE  12          2HD1      ILE  12  -9.934   3.291  -3.385
  101   3HD1  ILE  12          3HD1      ILE  12 -11.003   2.328  -4.405
  102    H    GLY  13           H        GLY  13 -13.222   7.378  -4.337
  103   1HA   GLY  13          2HA       GLY  13 -11.358   9.659  -4.542
  104   2HA   GLY  13          1HA       GLY  13 -13.004   9.679  -5.159
  105    H    GLU  14           H        GLU  14 -11.541  11.362  -3.135
  106    HA   GLU  14           HA       GLU  14 -12.484  10.851  -0.554
  107   1HB   GLU  14          2HB       GLU  14 -11.382  13.176  -1.999
  108   2HB   GLU  14          1HB       GLU  14 -12.363  13.564  -0.593
  109   1HG   GLU  14          2HG       GLU  14 -10.606  11.461   0.126
  110   2HG   GLU  14          1HG       GLU  14  -9.665  12.705  -0.696
  111    H    GLY  15           H        GLY  15 -14.670  10.124  -0.856
  112   1HA   GLY  15          2HA       GLY  15 -16.659  11.753  -0.075
  113   2HA   GLY  15          1HA       GLY  15 -16.632  12.036  -1.808
  114    H    ILE  16           H        ILE  16 -15.802   9.174  -2.254
  115    HA   ILE  16           HA       ILE  16 -18.513   8.084  -2.114
  116    HB   ILE  16           HB       ILE  16 -17.912   6.570  -3.853
  117   1HG1  ILE  16          2HG1      ILE  16 -15.071   7.572  -3.831
  118   2HG1  ILE  16          1HG1      ILE  16 -15.549   6.168  -2.885
  119   1HG2  ILE  16          1HG2      ILE  16 -16.471   8.633  -5.174
  120   2HG2  ILE  16          2HG2      ILE  16 -17.672   9.369  -4.111
  121   3HG2  ILE  16          3HG2      ILE  16 -18.173   8.194  -5.327
  122   1HD1  ILE  16          1HD1      ILE  16 -14.814   5.166  -4.788
  123   2HD1  ILE  16          2HD1      ILE  16 -15.345   6.490  -5.826
  124   3HD1  ILE  16          3HD1      ILE  16 -16.525   5.354  -5.170
  125    H    ARG  17           H        ARG  17 -17.903   5.370  -2.381
  126    HA   ARG  17           HA       ARG  17 -17.530   4.642   0.337
  127   1HB   ARG  17          2HB       ARG  17 -18.829   3.504  -1.726
  128   2HB   ARG  17          1HB       ARG  17 -17.350   2.555  -1.754
  129   1HG   ARG  17          2HG       ARG  17 -18.075   1.318  -0.072
  130   2HG   ARG  17          1HG       ARG  17 -18.260   2.752   0.940
  131   1HD   ARG  17          2HD       ARG  17 -20.471   2.595   0.807
  132   2HD   ARG  17          1HD       ARG  17 -20.396   2.668  -0.952
  133    HE   ARG  17           HE       ARG  17 -20.667   0.389  -1.035
  134   1HH1  ARG  17          1HH1      ARG  17 -19.958   1.362   2.233
  135   2HH1  ARG  17          2HH1      ARG  17 -20.322  -0.189   2.912
  136   1HH2  ARG  17          1HH2      ARG  17 -21.152  -1.655  -0.154
  137   2HH2  ARG  17          2HH2      ARG  17 -21.003  -1.907   1.553
  138    H    GLU  18           H        GLU  18 -15.930   3.276   1.224
  139    HA   GLU  18           HA       GLU  18 -13.297   3.637  -0.011
  140   1HB   GLU  18          2HB       GLU  18 -14.208   3.107   2.805
  141   2HB   GLU  18          1HB       GLU  18 -12.538   2.860   2.324
  142   1HG   GLU  18          2HG       GLU  18 -12.207   4.993   2.825
  143   2HG   GLU  18          1HG       GLU  18 -13.102   5.372   1.356
  144    H    VAL  19           H        VAL  19 -11.712   1.726   0.607
  145    HA   VAL  19           HA       VAL  19 -13.133  -0.825   0.187
  146    HB   VAL  19           HB       VAL  19 -12.212   0.083  -1.967
  147   1HG1  VAL  19          1HG1      VAL  19  -9.891   0.136  -2.388
  148   2HG1  VAL  19          2HG1      VAL  19  -9.517  -0.662  -0.861
  149   3HG1  VAL  19          3HG1      VAL  19 -10.121   0.995  -0.865
  150   1HG2  VAL  19          1HG2      VAL  19 -11.721  -2.020  -2.763
  151   2HG2  VAL  19          2HG2      VAL  19 -12.552  -2.409  -1.257
  152   3HG2  VAL  19          3HG2      VAL  19 -10.790  -2.464  -1.333
  153    H    THR  20           H        THR  20 -12.104  -2.705   0.897
  154    HA   THR  20           HA       THR  20 -10.061  -2.244   2.947
  155    HB   THR  20           HB       THR  20 -12.376  -4.048   2.748
  156    HG1  THR  20           1HG      THR  20 -12.267  -3.787   4.997
  157   1HG2  THR  20          1HG2      THR  20  -9.923  -5.146   4.113
  158   2HG2  THR  20          2HG2      THR  20 -10.515  -5.720   2.552
  159   3HG2  THR  20          3HG2      THR  20 -11.517  -5.889   3.992
  160    H    VAL  21           H        VAL  21  -8.490  -4.007   3.278
  161    HA   VAL  21           HA       VAL  21  -7.176  -4.570   0.767
  162    HB   VAL  21           HB       VAL  21  -6.355  -5.456   3.535
  163   1HG1  VAL  21          1HG1      VAL  21  -4.924  -6.660   2.278
  164   2HG1  VAL  21          2HG1      VAL  21  -4.073  -5.122   2.134
  165   3HG1  VAL  21          3HG1      VAL  21  -5.163  -5.650   0.852
  166   1HG2  VAL  21          1HG2      VAL  21  -4.729  -3.348   2.772
  167   2HG2  VAL  21          2HG2      VAL  21  -6.020  -3.295   3.972
  168   3HG2  VAL  21          3HG2      VAL  21  -6.348  -2.832   2.302
  169    H    LYS  22           H        LYS  22  -7.011  -6.503  -0.258
  170    HA   LYS  22           HA       LYS  22  -8.639  -8.694   0.818
  171   1HB   LYS  22          2HB       LYS  22  -9.023  -7.618  -1.515
  172   2HB   LYS  22          1HB       LYS  22  -7.625  -8.565  -2.004
  173   1HG   LYS  22          2HG       LYS  22  -9.109 -10.160  -2.470
  174   2HG   LYS  22          1HG       LYS  22  -9.146 -10.434  -0.727
  175   1HD   LYS  22          2HD       LYS  22 -11.032  -8.860  -0.543
  176   2HD   LYS  22          1HD       LYS  22 -11.009  -8.650  -2.295
  177   1HE   LYS  22          2HE       LYS  22 -11.927 -10.692  -2.690
  178   2HE   LYS  22          1HE       LYS  22 -11.173 -11.424  -1.274
  179   1HZ   LYS  22          1HZ       LYS  22 -13.211 -11.305  -0.407
  180   2HZ   LYS  22          2HZ       LYS  22 -13.753 -10.172  -1.539
  181   3HZ   LYS  22          3HZ       LYS  22 -12.890  -9.659  -0.178
  182    H    GLU  23           H        GLU  23  -5.421  -7.876  -0.290
  183    HA   GLU  23           HA       GLU  23  -4.490 -10.463   0.723
  184   1HB   GLU  23          2HB       GLU  23  -3.279  -9.343  -1.781
  185   2HB   GLU  23          1HB       GLU  23  -3.220 -10.988  -1.160
  186   1HG   GLU  23          2HG       GLU  23  -5.828 -10.847  -1.559
  187   2HG   GLU  23          1HG       GLU  23  -5.334  -9.622  -2.726
  188    H    TRP  24           H        TRP  24  -2.908 -10.226   2.128
  189    HA   TRP  24           HA       TRP  24  -1.213  -7.818   1.978
  190   1HB   TRP  24          2HB       TRP  24  -2.675  -9.044   4.240
  191   2HB   TRP  24          1HB       TRP  24  -1.028  -8.535   4.596
  192    HD1  TRP  24           HD       TRP  24  -4.461  -7.231   4.478
  193    HE1  TRP  24           1HE      TRP  24  -4.470  -4.663   4.615
  194    HE3  TRP  24           3HE      TRP  24   0.499  -6.351   3.601
  195    HZ2  TRP  24           2HZ      TRP  24  -2.623  -2.543   4.379
  196    HZ3  TRP  24           3HZ      TRP  24   1.295  -4.024   3.572
  197    HH2  TRP  24           HH       TRP  24  -0.235  -2.160   3.952
  198    H    TYR  25           H        TYR  25   0.823  -8.318   1.453
  199    HA   TYR  25           HA       TYR  25   1.888 -10.909   2.377
  200   1HB   TYR  25          2HB       TYR  25   1.859  -9.690  -0.306
  201   2HB   TYR  25          1HB       TYR  25   3.399 -10.393   0.177
  202    HD1  TYR  25           1HD      TYR  25   3.584 -12.797   0.616
  203    HD2  TYR  25           2HD      TYR  25  -0.068 -11.076  -0.722
  204    HE1  TYR  25           1HE      TYR  25   2.750 -15.036   0.035
  205    HE2  TYR  25           2HE      TYR  25  -0.915 -13.310  -1.306
  206    HH   TYR  25           HH       TYR  25   0.225 -15.604  -1.939
  207    H    VAL  26           H        VAL  26   2.116  -8.386   3.751
  208    HA   VAL  26           HA       VAL  26   4.978  -8.367   4.078
  209    HB   VAL  26           HB       VAL  26   5.370  -6.034   3.673
  210   1HG1  VAL  26          1HG1      VAL  26   5.070  -5.916   1.287
  211   2HG1  VAL  26          2HG1      VAL  26   3.822  -7.156   1.348
  212   3HG1  VAL  26          3HG1      VAL  26   5.491  -7.564   1.750
  213   1HG2  VAL  26          1HG2      VAL  26   3.755  -4.508   3.801
  214   2HG2  VAL  26          2HG2      VAL  26   2.564  -5.794   3.995
  215   3HG2  VAL  26          3HG2      VAL  26   2.966  -5.201   2.384
  216    H    LYS  27           H        LYS  27   5.659  -7.205   5.990
  217    HA   LYS  27           HA       LYS  27   3.471  -6.494   7.818
  218   1HB   LYS  27          2HB       LYS  27   5.073  -8.823   7.993
  219   2HB   LYS  27          1HB       LYS  27   5.583  -7.749   9.289
  220   1HG   LYS  27          2HG       LYS  27   3.915  -8.987  10.287
  221   2HG   LYS  27          1HG       LYS  27   3.053  -7.534   9.781
  222   1HD   LYS  27          2HD       LYS  27   2.180  -8.662   7.844
  223   2HD   LYS  27          1HD       LYS  27   3.165 -10.087   8.180
  224   1HE   LYS  27          2HE       LYS  27   1.854  -9.913  10.504
  225   2HE   LYS  27          1HE       LYS  27   0.656  -9.162   9.451
  226   1HZ   LYS  27          1HZ       LYS  27   1.706 -11.525   8.277
  227   2HZ   LYS  27          2HZ       LYS  27   0.101 -11.133   8.638
  228   3HZ   LYS  27          3HZ       LYS  27   1.079 -11.855   9.814
  229    H    GLU  28           H        GLU  28   4.345  -5.454   9.843
  230    HA   GLU  28           HA       GLU  28   5.794  -3.144   9.160
  231   1HB   GLU  28          2HB       GLU  28   5.678  -4.078  12.002
  232   2HB   GLU  28          1HB       GLU  28   5.497  -2.454  11.356
  233   1HG   GLU  28          2HG       GLU  28   3.304  -3.326  10.343
  234   2HG   GLU  28          1HG       GLU  28   3.489  -4.667  11.472
  235    H    GLY  29           H        GLY  29   7.922  -2.626   9.252
  236   1HA   GLY  29          2HA       GLY  29  10.188  -2.848   9.657
  237   2HA   GLY  29          1HA       GLY  29   9.810  -4.128  10.800
  238    H    ASP  30           H        ASP  30   8.308  -4.864   7.929
  239    HA   ASP  30           HA       ASP  30  10.391  -6.803   7.284
  240   1HB   ASP  30          2HB       ASP  30   7.634  -7.010   7.483
  241   2HB   ASP  30          1HB       ASP  30   7.921  -6.993   5.746
  242    H    THR  31           H        THR  31  11.019  -7.209   5.098
  243    HA   THR  31           HA       THR  31  11.040  -4.757   3.495
  244    HB   THR  31           HB       THR  31  12.741  -7.204   3.030
  245    HG1  THR  31           1HG      THR  31  13.055  -6.251   5.164
  246   1HG2  THR  31          1HG2      THR  31  12.435  -5.439   1.230
  247   2HG2  THR  31          2HG2      THR  31  14.098  -5.777   1.713
  248   3HG2  THR  31          3HG2      THR  31  13.282  -4.331   2.309
  249    H    VAL  32           H        VAL  32  10.585  -4.770   1.299
  250    HA   VAL  32           HA       VAL  32   8.830  -6.943   0.419
  251    HB   VAL  32           HB       VAL  32   8.555  -4.835  -1.402
  252   1HG1  VAL  32          1HG1      VAL  32   6.534  -4.816   0.653
  253   2HG1  VAL  32          2HG1      VAL  32   6.972  -6.459   0.188
  254   3HG1  VAL  32          3HG1      VAL  32   6.422  -5.312  -1.035
  255   1HG2  VAL  32          1HG2      VAL  32   7.863  -2.948   0.087
  256   2HG2  VAL  32          2HG2      VAL  32   9.602  -3.227   0.014
  257   3HG2  VAL  32          3HG2      VAL  32   8.679  -3.774   1.413
  258    H    SER  33           H        SER  33   8.836  -7.398  -1.936
  259    HA   SER  33           HA       SER  33  11.419  -6.920  -3.231
  260   1HB   SER  33          2HB       SER  33  10.940  -9.296  -1.958
  261   2HB   SER  33          1HB       SER  33  10.397  -9.657  -3.597
  262    HG   SER  33           HG       SER  33  12.813  -9.779  -2.822
  263    H    GLN  34           H        GLN  34  11.377  -7.604  -5.555
  264    HA   GLN  34           HA       GLN  34   9.313  -6.364  -6.930
  265   1HB   GLN  34          2HB       GLN  34  11.389  -8.367  -7.774
  266   2HB   GLN  34          1HB       GLN  34  10.208  -7.745  -8.919
  267   1HG   GLN  34          2HG       GLN  34  11.046  -5.424  -7.994
  268   2HG   GLN  34          1HG       GLN  34  12.481  -6.370  -7.598
  269   1HE2  GLN  34          1HE2      GLN  34  12.834  -8.037  -9.596
  270   2HE2  GLN  34          2HE2      GLN  34  13.023  -7.214 -11.104
  271    H    PHE  35           H        PHE  35   9.517  -9.586  -5.695
  272    HA   PHE  35           HA       PHE  35   7.133 -10.391  -7.202
  273   1HB   PHE  35          2HB       PHE  35   9.404 -11.787  -6.763
  274   2HB   PHE  35          1HB       PHE  35   8.447 -12.326  -5.387
  275    HD1  PHE  35           1HD      PHE  35   6.853 -13.994  -5.644
  276    HD2  PHE  35           2HD      PHE  35   8.351 -11.985  -9.083
  277    HE1  PHE  35           1HE      PHE  35   5.672 -15.597  -7.090
  278    HE2  PHE  35           2HE      PHE  35   7.174 -13.585 -10.536
  279    HZ   PHE  35           HZ       PHE  35   5.832 -15.393  -9.539
  280    H    ASP  36           H        ASP  36   8.155  -9.376  -4.085
  281    HA   ASP  36           HA       ASP  36   5.791 -10.489  -2.782
  282   1HB   ASP  36          2HB       ASP  36   8.404  -9.984  -1.914
  283   2HB   ASP  36          1HB       ASP  36   7.411  -8.780  -1.098
  284    H    SER  37           H        SER  37   4.040  -9.306  -3.374
  285    HA   SER  37           HA       SER  37   4.069  -6.475  -3.684
  286   1HB   SER  37          2HB       SER  37   1.462  -6.925  -3.458
  287   2HB   SER  37          1HB       SER  37   2.347  -7.405  -4.906
  288    HG   SER  37           HG       SER  37   1.088  -8.946  -3.050
  289    H    ILE  38           H        ILE  38   2.786  -4.956  -2.376
  290    HA   ILE  38           HA       ILE  38   3.232  -5.475   0.454
  291    HB   ILE  38           HB       ILE  38   2.272  -2.921  -0.834
  292   1HG1  ILE  38          2HG1      ILE  38   5.029  -3.993  -0.268
  293   2HG1  ILE  38          1HG1      ILE  38   4.405  -3.333  -1.772
  294   1HG2  ILE  38          1HG2      ILE  38   3.728  -3.001   1.750
  295   2HG2  ILE  38          2HG2      ILE  38   2.051  -3.547   1.745
  296   3HG2  ILE  38          3HG2      ILE  38   2.449  -1.916   1.203
  297   1HD1  ILE  38          1HD1      ILE  38   5.877  -2.029   0.249
  298   2HD1  ILE  38          2HD1      ILE  38   4.264  -1.312   0.221
  299   3HD1  ILE  38          3HD1      ILE  38   5.234  -1.357  -1.250
  300    H    CYS  39           H        CYS  39   0.555  -3.756  -1.157
  301    HA   CYS  39           HA       CYS  39  -1.322  -5.445   0.341
  302   1HB   CYS  39          2HB       CYS  39  -2.697  -3.240   0.579
  303   2HB   CYS  39          1HB       CYS  39  -1.385  -3.572   1.704
  304    HG   CYS  39           HG       CYS  39   0.278  -1.676   0.912
  305    H    GLU  40           H        GLU  40  -3.286  -5.837  -0.641
  306    HA   GLU  40           HA       GLU  40  -3.709  -4.668  -3.304
  307   1HB   GLU  40          2HB       GLU  40  -4.240  -7.577  -2.733
  308   2HB   GLU  40          1HB       GLU  40  -4.166  -6.767  -4.293
  309   1HG   GLU  40          2HG       GLU  40  -1.754  -6.422  -3.977
  310   2HG   GLU  40          1HG       GLU  40  -1.847  -7.292  -2.447
  311    H    VAL  41           H        VAL  41  -5.697  -3.852  -3.517
  312    HA   VAL  41           HA       VAL  41  -7.796  -4.844  -1.698
  313    HB   VAL  41           HB       VAL  41  -8.830  -2.648  -1.763
  314   1HG1  VAL  41          1HG1      VAL  41  -5.981  -2.878  -0.922
  315   2HG1  VAL  41          2HG1      VAL  41  -7.438  -2.725   0.059
  316   3HG1  VAL  41          3HG1      VAL  41  -6.796  -1.319  -0.791
  317   1HG2  VAL  41          1HG2      VAL  41  -6.473  -1.725  -3.399
  318   2HG2  VAL  41          2HG2      VAL  41  -7.867  -0.769  -2.894
  319   3HG2  VAL  41          3HG2      VAL  41  -8.070  -2.073  -4.064
  320    H    GLN  42           H        GLN  42  -9.917  -5.020  -2.499
  321    HA   GLN  42           HA       GLN  42 -10.197  -4.846  -5.420
  322   1HB   GLN  42          2HB       GLN  42 -11.053  -7.182  -3.701
  323   2HB   GLN  42          1HB       GLN  42 -11.436  -6.991  -5.407
  324   1HG   GLN  42          2HG       GLN  42  -9.061  -7.061  -5.954
  325   2HG   GLN  42          1HG       GLN  42  -8.670  -7.239  -4.245
  326   1HE2  GLN  42          1HE2      GLN  42  -8.017  -9.017  -6.411
  327   2HE2  GLN  42          2HE2      GLN  42  -8.750 -10.539  -6.050
  328    H    SER  43           H        SER  43 -12.052  -3.970  -6.107
  329    HA   SER  43           HA       SER  43 -14.191  -3.557  -4.124
  330   1HB   SER  43          2HB       SER  43 -12.969  -1.462  -4.672
  331   2HB   SER  43          1HB       SER  43 -13.415  -1.674  -6.365
  332    HG   SER  43           HG       SER  43 -15.305  -1.518  -4.259
  333    H    ASP  44           H        ASP  44 -16.349  -3.462  -4.944
  334    HA   ASP  44           HA       ASP  44 -17.068  -5.493  -6.657
  335   1HB   ASP  44          2HB       ASP  44 -18.402  -3.429  -5.222
  336   2HB   ASP  44          1HB       ASP  44 -19.052  -3.449  -6.858
  337    H    LYS  45           H        LYS  45 -15.974  -2.316  -7.451
  338    HA   LYS  45           HA       LYS  45 -16.970  -2.465 -10.174
  339   1HB   LYS  45          2HB       LYS  45 -15.318  -0.319 -10.241
  340   2HB   LYS  45          1HB       LYS  45 -17.006  -0.247  -9.766
  341   1HG   LYS  45          2HG       LYS  45 -16.384  -0.341  -7.428
  342   2HG   LYS  45          1HG       LYS  45 -14.685  -0.512  -7.865
  343   1HD   LYS  45          2HD       LYS  45 -16.180   1.821  -8.942
  344   2HD   LYS  45          1HD       LYS  45 -15.729   1.836  -7.236
  345   1HE   LYS  45          2HE       LYS  45 -13.417   1.616  -7.764
  346   2HE   LYS  45          1HE       LYS  45 -13.774   1.287  -9.459
  347   1HZ   LYS  45          1HZ       LYS  45 -14.078   3.853  -8.008
  348   2HZ   LYS  45          2HZ       LYS  45 -14.750   3.581  -9.536
  349   3HZ   LYS  45          3HZ       LYS  45 -13.073   3.520  -9.328
  350    H    ALA  46           H        ALA  46 -13.690  -1.709  -8.988
  351    HA   ALA  46           HA       ALA  46 -12.648  -3.587 -11.001
  352   1HB   ALA  46          1HB       ALA  46 -11.333  -2.037 -11.939
  353   2HB   ALA  46          2HB       ALA  46 -10.888  -1.337 -10.382
  354   3HB   ALA  46          3HB       ALA  46 -12.399  -0.867 -11.161
  355    H    SER  47           H        SER  47 -10.470  -4.388 -10.545
  356    HA   SER  47           HA       SER  47 -10.104  -4.797  -7.665
  357   1HB   SER  47          2HB       SER  47  -8.420  -6.368  -9.489
  358   2HB   SER  47          1HB       SER  47  -9.434  -6.903  -8.149
  359    HG   SER  47           HG       SER  47  -9.956  -7.342 -10.585
  360    H    VAL  48           H        VAL  48  -8.149  -4.375  -6.641
  361    HA   VAL  48           HA       VAL  48  -6.138  -2.957  -8.262
  362    HB   VAL  48           HB       VAL  48  -6.679  -2.204  -5.410
  363   1HG1  VAL  48          1HG1      VAL  48  -5.404  -0.334  -5.835
  364   2HG1  VAL  48          2HG1      VAL  48  -5.720  -0.382  -7.569
  365   3HG1  VAL  48          3HG1      VAL  48  -4.606  -1.541  -6.843
  366   1HG2  VAL  48          1HG2      VAL  48  -8.397  -1.709  -7.699
  367   2HG2  VAL  48          2HG2      VAL  48  -7.846  -0.219  -6.934
  368   3HG2  VAL  48          3HG2      VAL  48  -8.696  -1.437  -5.982
  369    H    THR  49           H        THR  49  -4.068  -3.473  -7.949
  370    HA   THR  49           HA       THR  49  -3.308  -5.071  -5.610
  371    HB   THR  49           HB       THR  49  -1.947  -6.569  -7.021
  372    HG1  THR  49           1HG      THR  49  -3.182  -5.110  -9.130
  373   1HG2  THR  49          1HG2      THR  49  -4.644  -6.807  -8.238
  374   2HG2  THR  49          2HG2      THR  49  -4.547  -6.836  -6.478
  375   3HG2  THR  49          3HG2      THR  49  -3.655  -8.024  -7.429
  376    H    ILE  50           H        ILE  50  -1.593  -4.166  -4.651
  377    HA   ILE  50           HA       ILE  50  -0.014  -2.230  -6.175
  378    HB   ILE  50           HB       ILE  50  -0.040  -2.676  -3.195
  379   1HG1  ILE  50          2HG1      ILE  50  -2.242  -1.952  -4.064
  380   2HG1  ILE  50          1HG1      ILE  50  -1.479  -0.718  -3.067
  381   1HG2  ILE  50          1HG2      ILE  50   1.564  -1.143  -3.036
  382   2HG2  ILE  50          2HG2      ILE  50   0.737  -0.058  -4.155
  383   3HG2  ILE  50          3HG2      ILE  50   1.789  -1.331  -4.775
  384   1HD1  ILE  50          1HD1      ILE  50  -0.803   0.496  -5.050
  385   2HD1  ILE  50          2HD1      ILE  50  -2.545   0.219  -5.055
  386   3HD1  ILE  50          3HD1      ILE  50  -1.493  -0.762  -6.074
  387    H    THR  51           H        THR  51   1.719  -3.034  -7.119
  388    HA   THR  51           HA       THR  51   3.231  -5.202  -5.907
  389    HB   THR  51           HB       THR  51   4.212  -3.814  -8.357
  390    HG1  THR  51           1HG      THR  51   2.191  -3.966  -9.098
  391   1HG2  THR  51          1HG2      THR  51   4.061  -6.559  -8.755
  392   2HG2  THR  51          2HG2      THR  51   4.470  -6.389  -7.048
  393   3HG2  THR  51          3HG2      THR  51   5.491  -5.645  -8.278
  394    H    SER  52           H        SER  52   5.787  -4.779  -6.300
  395    HA   SER  52           HA       SER  52   6.352  -2.218  -4.960
  396   1HB   SER  52          2HB       SER  52   6.998  -4.914  -4.203
  397   2HB   SER  52          1HB       SER  52   8.483  -3.998  -4.457
  398    HG   SER  52           HG       SER  52   7.455  -2.354  -3.081
  399    H    ARG  53           H        ARG  53   7.192  -4.349  -7.562
  400    HA   ARG  53           HA       ARG  53   8.759  -4.296  -9.202
  401   1HB   ARG  53          2HB       ARG  53   9.175  -1.675  -9.857
  402   2HB   ARG  53          1HB       ARG  53   7.870  -2.680 -10.456
  403   1HG   ARG  53          2HG       ARG  53   7.602  -0.956  -8.006
  404   2HG   ARG  53          1HG       ARG  53   7.247  -0.390  -9.628
  405   1HD   ARG  53          2HD       ARG  53   5.873  -2.598  -8.114
  406   2HD   ARG  53          1HD       ARG  53   5.190  -1.075  -8.671
  407    HE   ARG  53           HE       ARG  53   5.581  -3.473 -10.218
  408   1HH1  ARG  53          1HH1      ARG  53   5.156  -0.018 -10.315
  409   2HH1  ARG  53          2HH1      ARG  53   4.522  -0.010 -11.927
  410   1HH2  ARG  53          1HH2      ARG  53   4.748  -3.475 -12.344
  411   2HH2  ARG  53          2HH2      ARG  53   4.290  -1.976 -13.081
  412    H    TYR  54           H        TYR  54   9.759  -3.812  -6.313
  413    HA   TYR  54           HA       TYR  54  12.491  -3.766  -6.875
  414   1HB   TYR  54          2HB       TYR  54  11.231  -1.151  -6.459
  415   2HB   TYR  54          1HB       TYR  54  12.561  -1.463  -5.349
  416    HD1  TYR  54           1HD      TYR  54  11.809   0.051  -8.327
  417    HD2  TYR  54           2HD      TYR  54  14.651  -2.659  -6.688
  418    HE1  TYR  54           1HE      TYR  54  13.412   0.680 -10.082
  419    HE2  TYR  54           2HE      TYR  54  16.262  -2.037  -8.439
  420    HH   TYR  54           HH       TYR  54  15.789   0.658 -10.500
  421    H    ASP  55           H        ASP  55  13.753  -3.471  -4.710
  422    HA   ASP  55           HA       ASP  55  12.169  -4.838  -2.659
  423   1HB   ASP  55          2HB       ASP  55  15.126  -4.506  -2.400
  424   2HB   ASP  55          1HB       ASP  55  14.097  -5.841  -1.890
  425    H    GLY  56           H        GLY  56  11.439  -3.713  -0.973
  426   1HA   GLY  56          2HA       GLY  56  13.021  -1.395  -0.074
  427   2HA   GLY  56          1HA       GLY  56  11.303  -1.214  -0.378
  428    H    VAL  57           H        VAL  57  12.369  -0.550   2.063
  429    HA   VAL  57           HA       VAL  57  11.738  -2.806   3.831
  430    HB   VAL  57           HB       VAL  57  13.096  -0.171   4.413
  431   1HG1  VAL  57          1HG1      VAL  57  12.216  -2.374   6.252
  432   2HG1  VAL  57          2HG1      VAL  57  11.989  -0.632   6.422
  433   3HG1  VAL  57          3HG1      VAL  57  13.590  -1.342   6.652
  434   1HG2  VAL  57          1HG2      VAL  57  14.023  -2.860   3.713
  435   2HG2  VAL  57          2HG2      VAL  57  14.825  -2.152   5.116
  436   3HG2  VAL  57          3HG2      VAL  57  14.838  -1.302   3.571
  437    H    ILE  58           H        ILE  58   9.802  -2.939   4.715
  438    HA   ILE  58           HA       ILE  58   8.135  -0.529   4.959
  439    HB   ILE  58           HB       ILE  58   7.247  -3.384   5.399
  440   1HG1  ILE  58          2HG1      ILE  58   6.913  -1.787   2.859
  441   2HG1  ILE  58          1HG1      ILE  58   8.226  -2.936   3.095
  442   1HG2  ILE  58          1HG2      ILE  58   5.570  -2.096   6.271
  443   2HG2  ILE  58          2HG2      ILE  58   5.056  -2.160   4.584
  444   3HG2  ILE  58          3HG2      ILE  58   5.903  -0.738   5.196
  445   1HD1  ILE  58          1HD1      ILE  58   5.723  -3.476   2.065
  446   2HD1  ILE  58          2HD1      ILE  58   5.654  -4.105   3.712
  447   3HD1  ILE  58          3HD1      ILE  58   6.915  -4.657   2.608
  448    H    LYS  59           H        LYS  59   7.988   0.407   6.889
  449    HA   LYS  59           HA       LYS  59   9.052  -1.069   9.178
  450   1HB   LYS  59          2HB       LYS  59  10.180   0.957   8.852
  451   2HB   LYS  59          1HB       LYS  59   8.693   1.854   8.617
  452   1HG   LYS  59          2HG       LYS  59   8.273   2.008  10.871
  453   2HG   LYS  59          1HG       LYS  59   9.176   0.540  11.246
  454   1HD   LYS  59          2HD       LYS  59  11.268   1.779  10.645
  455   2HD   LYS  59          1HD       LYS  59  10.292   3.245  10.520
  456   1HE   LYS  59          2HE       LYS  59  11.445   2.964  12.715
  457   2HE   LYS  59          1HE       LYS  59   9.693   3.125  12.832
  458   1HZ   LYS  59          1HZ       LYS  59  10.866   0.438  12.682
  459   2HZ   LYS  59          2HZ       LYS  59   9.442   0.949  13.438
  460   3HZ   LYS  59          3HZ       LYS  59  10.941   1.279  14.149
  461    H    LYS  60           H        LYS  60   5.992   0.381   8.165
  462    HA   LYS  60           HA       LYS  60   4.798  -0.859  10.503
  463   1HB   LYS  60          2HB       LYS  60   3.908   1.027  11.517
  464   2HB   LYS  60          1HB       LYS  60   5.524   1.546  11.066
  465   1HG   LYS  60          2HG       LYS  60   3.029   2.141   9.489
  466   2HG   LYS  60          1HG       LYS  60   3.788   3.244  10.637
  467   1HD   LYS  60          2HD       LYS  60   5.001   2.162   8.096
  468   2HD   LYS  60          1HD       LYS  60   4.463   3.816   8.391
  469   1HE   LYS  60          2HE       LYS  60   6.733   2.382   9.758
  470   2HE   LYS  60          1HE       LYS  60   6.867   3.695   8.590
  471   1HZ   LYS  60          1HZ       LYS  60   6.548   3.857  11.380
  472   2HZ   LYS  60          2HZ       LYS  60   5.206   4.576  10.642
  473   3HZ   LYS  60          3HZ       LYS  60   6.764   5.114  10.268
  474    H    LEU  61           H        LEU  61   2.735  -1.473  10.292
  475    HA   LEU  61           HA       LEU  61   1.281  -0.680   7.861
  476   1HB   LEU  61          2HB       LEU  61   1.866  -3.408   8.929
  477   2HB   LEU  61          1HB       LEU  61   0.338  -3.134   8.113
  478    HG   LEU  61           HG       LEU  61   3.093  -2.765   6.937
  479   1HD1  LEU  61          1HD1      LEU  61   0.923  -4.655   6.074
  480   2HD1  LEU  61          2HD1      LEU  61   2.170  -5.102   7.238
  481   3HD1  LEU  61          3HD1      LEU  61   2.621  -4.643   5.596
  482   1HD2  LEU  61          1HD2      LEU  61   1.813  -1.078   5.945
  483   2HD2  LEU  61          2HD2      LEU  61   0.366  -2.083   5.895
  484   3HD2  LEU  61          3HD2      LEU  61   1.715  -2.425   4.811
  485    H    TYR  62           H        TYR  62  -0.862  -0.196   8.166
  486    HA   TYR  62           HA       TYR  62  -1.888  -0.545  10.908
  487   1HB   TYR  62          2HB       TYR  62  -1.394   1.822   9.882
  488   2HB   TYR  62          1HB       TYR  62  -2.941   1.573   9.079
  489    HD1  TYR  62           1HD      TYR  62  -1.270   2.100  12.297
  490    HD2  TYR  62           2HD      TYR  62  -5.010   1.548  10.347
  491    HE1  TYR  62           1HE      TYR  62  -2.432   2.866  14.324
  492    HE2  TYR  62           2HE      TYR  62  -6.183   2.315  12.367
  493    HH   TYR  62           HH       TYR  62  -5.887   2.637  14.661
  494    H    TYR  63           H        TYR  63  -2.885  -0.387   7.495
  495    HA   TYR  63           HA       TYR  63  -5.489  -1.474   8.157
  496   1HB   TYR  63          2HB       TYR  63  -4.260  -0.761   5.488
  497   2HB   TYR  63          1HB       TYR  63  -5.927  -1.277   5.727
  498    HD1  TYR  63           1HD      TYR  63  -3.500   1.349   6.766
  499    HD2  TYR  63           2HD      TYR  63  -7.582   0.306   6.180
  500    HE1  TYR  63           1HE      TYR  63  -4.151   3.679   7.201
  501    HE2  TYR  63           2HE      TYR  63  -8.243   2.636   6.613
  502    HH   TYR  63           HH       TYR  63  -6.077   4.956   7.894
  503    H    ASN  64           H        ASN  64  -6.254  -3.479   7.631
  504    HA   ASN  64           HA       ASN  64  -4.283  -5.418   6.626
  505   1HB   ASN  64          2HB       ASN  64  -6.367  -5.933   8.753
  506   2HB   ASN  64          1HB       ASN  64  -5.183  -7.093   8.146
  507   1HD2  ASN  64          1HD2      ASN  64  -3.467  -7.346   9.368
  508   2HD2  ASN  64          2HD2      ASN  64  -2.808  -6.185  10.464
  509    H    LEU  65           H        LEU  65  -5.658  -7.606   6.386
  510    HA   LEU  65           HA       LEU  65  -7.048  -7.430   4.016
  511   1HB   LEU  65          2HB       LEU  65  -6.862  -9.484   6.183
  512   2HB   LEU  65          1HB       LEU  65  -7.886  -9.754   4.795
  513    HG   LEU  65           HG       LEU  65  -5.283  -8.934   3.912
  514   1HD1  LEU  65          1HD1      LEU  65  -4.050 -10.945   4.701
  515   2HD1  LEU  65          2HD1      LEU  65  -5.364 -11.250   5.837
  516   3HD1  LEU  65          3HD1      LEU  65  -4.403  -9.777   5.974
  517   1HD2  LEU  65          1HD2      LEU  65  -7.254 -10.414   2.922
  518   2HD2  LEU  65          2HD2      LEU  65  -6.268 -11.713   3.594
  519   3HD2  LEU  65          3HD2      LEU  65  -5.580 -10.610   2.403
  520    H    ASP  66           H        ASP  66  -8.212  -6.876   7.232
  521    HA   ASP  66           HA       ASP  66 -10.990  -7.121   6.307
  522   1HB   ASP  66          2HB       ASP  66  -9.848  -8.153   8.547
  523   2HB   ASP  66          1HB       ASP  66 -10.514  -6.649   9.174
  524    H    ASP  67           H        ASP  67  -8.670  -4.794   7.474
  525    HA   ASP  67           HA       ASP  67 -10.655  -2.821   8.114
  526   1HB   ASP  67          2HB       ASP  67  -7.875  -3.115   8.560
  527   2HB   ASP  67          1HB       ASP  67  -8.110  -1.606   7.680
  528    H    ILE  68           H        ILE  68 -11.144  -0.952   7.057
  529    HA   ILE  68           HA       ILE  68 -10.744  -1.002   4.150
  530    HB   ILE  68           HB       ILE  68 -12.715   0.626   5.751
  531   1HG1  ILE  68          2HG1      ILE  68 -12.954  -1.996   5.615
  532   2HG1  ILE  68          1HG1      ILE  68 -14.355  -0.958   5.426
  533   1HG2  ILE  68          1HG2      ILE  68 -12.859   1.835   3.905
  534   2HG2  ILE  68          2HG2      ILE  68 -13.614   0.442   3.135
  535   3HG2  ILE  68          3HG2      ILE  68 -11.872   0.699   2.983
  536   1HD1  ILE  68          1HD1      ILE  68 -13.013  -1.568   2.904
  537   2HD1  ILE  68          2HD1      ILE  68 -14.723  -1.647   3.334
  538   3HD1  ILE  68          3HD1      ILE  68 -13.647  -2.986   3.741
  539    H    ALA  69           H        ALA  69  -9.820   0.657   3.070
  540    HA   ALA  69           HA       ALA  69  -8.664   2.795   4.725
  541   1HB   ALA  69          1HB       ALA  69  -6.842   2.921   3.195
  542   2HB   ALA  69          2HB       ALA  69  -7.648   1.845   2.054
  543   3HB   ALA  69          3HB       ALA  69  -7.075   1.221   3.600
  544    H    TYR  70           H        TYR  70  -8.593   4.920   3.874
  545    HA   TYR  70           HA       TYR  70 -10.612   5.431   1.790
  546   1HB   TYR  70          2HB       TYR  70 -10.198   7.770   3.388
  547   2HB   TYR  70          1HB       TYR  70 -11.673   6.841   3.167
  548    HD1  TYR  70           1HD      TYR  70 -12.225   5.011   4.768
  549    HD2  TYR  70           2HD      TYR  70  -8.927   7.624   5.395
  550    HE1  TYR  70           1HE      TYR  70 -12.143   4.329   7.128
  551    HE2  TYR  70           2HE      TYR  70  -8.834   6.948   7.757
  552    HH   TYR  70           HH       TYR  70 -10.016   4.356   8.978
  553    H    VAL  71           H        VAL  71 -10.175   6.965   0.232
  554    HA   VAL  71           HA       VAL  71  -7.410   7.374  -0.365
  555    HB   VAL  71           HB       VAL  71  -9.123   7.014  -2.118
  556   1HG1  VAL  71          1HG1      VAL  71 -10.024   9.789  -1.354
  557   2HG1  VAL  71          2HG1      VAL  71 -10.947   8.296  -1.177
  558   3HG1  VAL  71          3HG1      VAL  71 -10.556   8.906  -2.785
  559   1HG2  VAL  71          1HG2      VAL  71  -6.971   8.839  -2.126
  560   2HG2  VAL  71          2HG2      VAL  71  -8.267   9.563  -3.079
  561   3HG2  VAL  71          3HG2      VAL  71  -7.658   7.961  -3.493
  562    H    GLY  72           H        GLY  72  -6.168   9.173  -0.164
  563   1HA   GLY  72          2HA       GLY  72  -6.134  11.649  -0.099
  564   2HA   GLY  72          1HA       GLY  72  -7.461  11.540   1.044
  565    H    LYS  73           H        LYS  73  -5.381   9.050   1.762
  566    HA   LYS  73           HA       LYS  73  -3.461  10.580   3.272
  567   1HB   LYS  73          2HB       LYS  73  -5.751  10.380   4.560
  568   2HB   LYS  73          1HB       LYS  73  -5.155   8.768   4.930
  569   1HG   LYS  73          2HG       LYS  73  -3.976   9.612   6.597
  570   2HG   LYS  73          1HG       LYS  73  -3.037  10.554   5.437
  571   1HD   LYS  73          2HD       LYS  73  -4.850  12.292   5.533
  572   2HD   LYS  73          1HD       LYS  73  -5.556  11.381   6.870
  573   1HE   LYS  73          2HE       LYS  73  -2.836  12.673   6.773
  574   2HE   LYS  73          1HE       LYS  73  -4.207  13.147   7.775
  575   1HZ   LYS  73          1HZ       LYS  73  -3.978  10.708   8.627
  576   2HZ   LYS  73          2HZ       LYS  73  -2.984  11.927   9.249
  577   3HZ   LYS  73          3HZ       LYS  73  -2.386  10.868   8.074
  578    HA   PRO  74           HA       PRO  74  -1.150   6.884   2.309
  579   1HB   PRO  74          2HB       PRO  74   0.608   7.738   4.527
  580   2HB   PRO  74          1HB       PRO  74   0.999   7.453   2.828
  581   1HG   PRO  74          2HG       PRO  74   0.897   9.930   3.837
  582   2HG   PRO  74          1HG       PRO  74   0.360   9.576   2.184
  583   1HD   PRO  74          2HD       PRO  74  -1.268  10.046   4.649
  584   2HD   PRO  74          1HD       PRO  74  -1.566  10.571   2.978
  585    H    LEU  75           H        LEU  75  -0.636   4.857   3.262
  586    HA   LEU  75           HA       LEU  75  -1.760   4.481   5.955
  587   1HB   LEU  75          2HB       LEU  75  -2.725   2.398   5.315
  588   2HB   LEU  75          1HB       LEU  75  -3.263   3.627   4.187
  589    HG   LEU  75           HG       LEU  75  -1.164   2.686   2.810
  590   1HD1  LEU  75          1HD1      LEU  75  -2.178   0.313   4.369
  591   2HD1  LEU  75          2HD1      LEU  75  -0.587   1.050   4.542
  592   3HD1  LEU  75          3HD1      LEU  75  -1.036   0.270   3.026
  593   1HD2  LEU  75          1HD2      LEU  75  -2.711   1.696   1.403
  594   2HD2  LEU  75          2HD2      LEU  75  -3.713   2.828   2.312
  595   3HD2  LEU  75          3HD2      LEU  75  -3.709   1.116   2.736
  596    H    VAL  76           H        VAL  76   0.751   3.592   3.667
  597    HA   VAL  76           HA       VAL  76   2.162   2.292   5.904
  598    HB   VAL  76           HB       VAL  76   1.272   0.549   4.366
  599   1HG1  VAL  76          1HG1      VAL  76   2.409   2.300   2.390
  600   2HG1  VAL  76          2HG1      VAL  76   1.340   0.914   2.175
  601   3HG1  VAL  76          3HG1      VAL  76   3.088   0.679   2.246
  602   1HG2  VAL  76          1HG2      VAL  76   4.262   0.612   4.153
  603   2HG2  VAL  76          2HG2      VAL  76   3.198  -0.769   4.421
  604   3HG2  VAL  76          3HG2      VAL  76   3.455   0.410   5.705
  605    H    ASP  77           H        ASP  77   4.495   2.216   5.681
  606    HA   ASP  77           HA       ASP  77   5.577   4.281   3.881
  607   1HB   ASP  77          2HB       ASP  77   6.663   3.754   6.643
  608   2HB   ASP  77          1HB       ASP  77   7.037   5.096   5.575
  609    H    ILE  78           H        ILE  78   7.032   3.451   2.528
  610    HA   ILE  78           HA       ILE  78   8.710   1.228   3.460
  611    HB   ILE  78           HB       ILE  78   7.828   1.230   0.615
  612   1HG1  ILE  78          2HG1      ILE  78   5.983  -0.425   1.474
  613   2HG1  ILE  78          1HG1      ILE  78   6.132   0.486   2.976
  614   1HG2  ILE  78          1HG2      ILE  78   9.499  -0.341   1.125
  615   2HG2  ILE  78          2HG2      ILE  78   7.997  -1.264   1.056
  616   3HG2  ILE  78          3HG2      ILE  78   8.698  -0.832   2.617
  617   1HD1  ILE  78          1HD1      ILE  78   4.977   2.195   2.168
  618   2HD1  ILE  78          2HD1      ILE  78   4.512   1.114   0.853
  619   3HD1  ILE  78          3HD1      ILE  78   5.884   2.206   0.655
  620    H    GLU  79           H        GLU  79  10.789   1.097   2.538
  621    HA   GLU  79           HA       GLU  79  11.664   3.599   1.278
  622   1HB   GLU  79          2HB       GLU  79  13.618   1.535   2.179
  623   2HB   GLU  79          1HB       GLU  79  13.744   3.287   2.216
  624   1HG   GLU  79          2HG       GLU  79  12.113   3.313   4.080
  625   2HG   GLU  79          1HG       GLU  79  12.150   1.551   4.086
  626    H    THR  80           H        THR  80  11.852   3.591  -0.849
  627    HA   THR  80           HA       THR  80  12.982   1.240  -2.191
  628    HB   THR  80           HB       THR  80  11.212   2.087  -4.085
  629    HG1  THR  80           1HG      THR  80   9.172   2.187  -2.861
  630   1HG2  THR  80          1HG2      THR  80  10.175   0.084  -2.144
  631   2HG2  THR  80          2HG2      THR  80  11.724  -0.249  -2.918
  632   3HG2  THR  80          3HG2      THR  80  10.283   0.003  -3.903
  633    H    GLU  81           H        GLU  81  13.907   1.741  -4.300
  634    HA   GLU  81           HA       GLU  81  15.445   4.062  -4.312
  635   1HB   GLU  81          2HB       GLU  81  14.650   2.408  -6.716
  636   2HB   GLU  81          1HB       GLU  81  16.036   3.484  -6.606
  637   1HG   GLU  81          2HG       GLU  81  15.599   0.865  -5.213
  638   2HG   GLU  81          1HG       GLU  81  16.876   1.307  -6.344
  639    H    ALA  82           H        ALA  82  15.295   6.024  -5.386
  640    HA   ALA  82           HA       ALA  82  12.981   7.408  -5.455
  641   1HB   ALA  82          1HB       ALA  82  14.029   8.967  -7.036
  642   2HB   ALA  82          2HB       ALA  82  15.276   7.766  -7.376
  643   3HB   ALA  82          3HB       ALA  82  15.141   8.464  -5.762
  644    H    LEU  83           H        LEU  83  11.106   6.886  -6.352
  645    HA   LEU  83           HA       LEU  83  11.085   6.090  -9.189
  646   1HB   LEU  83          2HB       LEU  83   9.784   4.874  -6.841
  647   2HB   LEU  83          1HB       LEU  83   8.750   5.069  -8.243
  648    HG   LEU  83           HG       LEU  83  11.297   3.920  -8.996
  649   1HD1  LEU  83          1HD1      LEU  83  11.588   2.811  -7.015
  650   2HD1  LEU  83          2HD1      LEU  83  10.549   1.667  -7.865
  651   3HD1  LEU  83          3HD1      LEU  83   9.860   2.758  -6.663
  652   1HD2  LEU  83          1HD2      LEU  83   9.759   2.160  -9.893
  653   2HD2  LEU  83          2HD2      LEU  83   9.402   3.800 -10.437
  654   3HD2  LEU  83          3HD2      LEU  83   8.418   3.054  -9.177
  655    H    LYS  84           H        LYS  84   9.655   7.111 -10.509
  656    HA   LYS  84           HA       LYS  84   8.712   9.637  -9.868
  657   1HB   LYS  84          2HB       LYS  84   8.906   8.191 -12.159
  658   2HB   LYS  84          1HB       LYS  84   7.163   8.196 -11.924
  659   1HG   LYS  84          2HG       LYS  84   6.984  10.330 -12.529
  660   2HG   LYS  84          1HG       LYS  84   8.356  10.817 -11.532
  661   1HD   LYS  84          2HD       LYS  84   9.899  10.355 -13.226
  662   2HD   LYS  84          1HD       LYS  84   8.757   9.347 -14.116
  663   1HE   LYS  84          2HE       LYS  84   7.662  11.966 -13.838
  664   2HE   LYS  84          1HE       LYS  84   9.308  12.100 -14.457
  665   1HZ   LYS  84          1HZ       LYS  84   8.788  10.848 -16.326
  666   2HZ   LYS  84          2HZ       LYS  84   7.416  11.816 -16.125
  667   3HZ   LYS  84          3HZ       LYS  84   7.386  10.196 -15.640
  668    H    ASP  85           H        ASP  85   7.305   6.554  -9.221
  669    HA   ASP  85           HA       ASP  85   4.617   6.974  -9.119
  670   1HB   ASP  85          2HB       ASP  85   6.440   5.131  -7.975
  671   2HB   ASP  85          1HB       ASP  85   5.353   5.648  -6.689
  672    H    LEU  86           H        LEU  86   6.921   7.837  -6.533
  673    HA   LEU  86           HA       LEU  86   4.988   9.844  -5.616
  674   1HB   LEU  86          2HB       LEU  86   5.428   7.499  -4.246
  675   2HB   LEU  86          1HB       LEU  86   6.510   8.621  -3.443
  676    HG   LEU  86           HG       LEU  86   3.773   9.627  -3.876
  677   1HD1  LEU  86          1HD1      LEU  86   3.213   7.346  -3.351
  678   2HD1  LEU  86          2HD1      LEU  86   2.886   8.362  -1.947
  679   3HD1  LEU  86          3HD1      LEU  86   4.329   7.348  -1.984
  680   1HD2  LEU  86          1HD2      LEU  86   4.104  10.605  -1.747
  681   2HD2  LEU  86          2HD2      LEU  86   5.637  10.757  -2.605
  682   3HD2  LEU  86          3HD2      LEU  86   5.436   9.512  -1.371
  683    H    GLU  87           H        GLU  87   7.887   9.494  -6.921
  684    HA   GLU  87           HA       GLU  87   8.858  11.998  -6.349
  685   1HB   GLU  87          2HB       GLU  87  10.884  11.200  -4.882
  686   2HB   GLU  87          1HB       GLU  87   9.361  11.648  -4.128
  687   1HG   GLU  87          2HG       GLU  87   8.830   9.483  -3.590
  688   2HG   GLU  87          1HG       GLU  87   9.825   8.804  -4.878
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1  17.289  12.185   1.040
    2   2H    MET   1          2HT       MET   1  16.340  12.473   2.411
    3   3H    MET   1          3HT       MET   1  16.215  10.999   1.591
    4    HA   MET   1           HA       MET   1  18.510  10.469   2.167
    5   1HB   MET   1          2HB       MET   1  18.497  13.245   2.784
    6   2HB   MET   1          1HB       MET   1  18.847  12.379   4.273
    7   1HG   MET   1          2HG       MET   1  20.867  13.024   3.028
    8   2HG   MET   1          1HG       MET   1  20.726  11.283   3.260
    9   1HE   MET   1          1HE       MET   1  22.634  12.705   0.421
   10   2HE   MET   1          2HE       MET   1  22.488  10.974   0.118
   11   3HE   MET   1          3HE       MET   1  22.687  11.566   1.767
   12    H    GLY   2           H        GLY   2  17.676   8.685   3.122
   13   1HA   GLY   2          2HA       GLY   2  17.059   7.332   4.880
   14   2HA   GLY   2          1HA       GLY   2  17.229   8.722   5.939
   15    H    GLN   3           H        GLN   3  15.143   9.106   3.235
   16    HA   GLN   3           HA       GLN   3  12.843   9.111   5.046
   17   1HB   GLN   3          2HB       GLN   3  12.783  10.076   2.205
   18   2HB   GLN   3          1HB       GLN   3  11.779  10.573   3.560
   19   1HG   GLN   3          2HG       GLN   3  13.967  11.487   4.562
   20   2HG   GLN   3          1HG       GLN   3  14.597  11.343   2.922
   21   1HE2  GLN   3          1HE2      GLN   3  14.713  13.764   3.715
   22   2HE2  GLN   3          2HE2      GLN   3  13.424  14.754   3.130
   23    H    VAL   4           H        VAL   4  10.855   8.120   4.450
   24    HA   VAL   4           HA       VAL   4  11.201   5.837   2.621
   25    HB   VAL   4           HB       VAL   4   9.396   4.712   3.928
   26   1HG1  VAL   4          1HG1      VAL   4  11.001   4.722   6.130
   27   2HG1  VAL   4          2HG1      VAL   4  12.100   5.295   4.874
   28   3HG1  VAL   4          3HG1      VAL   4  11.266   3.750   4.680
   29   1HG2  VAL   4          1HG2      VAL   4   8.336   6.676   4.885
   30   2HG2  VAL   4          2HG2      VAL   4   9.784   7.013   5.836
   31   3HG2  VAL   4          3HG2      VAL   4   8.840   5.558   6.154
   32    H    VAL   5           H        VAL   5   9.544   5.286   1.224
   33    HA   VAL   5           HA       VAL   5   7.654   7.446   0.635
   34    HB   VAL   5           HB       VAL   5   7.347   6.421  -1.533
   35   1HG1  VAL   5          1HG1      VAL   5   9.200   7.851  -1.549
   36   2HG1  VAL   5          2HG1      VAL   5   9.773   6.377  -2.330
   37   3HG1  VAL   5          3HG1      VAL   5  10.201   6.709  -0.652
   38   1HG2  VAL   5          1HG2      VAL   5   9.068   4.176  -0.478
   39   2HG2  VAL   5          2HG2      VAL   5   8.632   4.381  -2.173
   40   3HG2  VAL   5          3HG2      VAL   5   7.377   4.083  -0.971
   41    H    GLN   6           H        GLN   6   5.621   7.247   1.275
   42    HA   GLN   6           HA       GLN   6   4.701   4.637   2.192
   43   1HB   GLN   6          2HB       GLN   6   3.448   7.346   2.625
   44   2HB   GLN   6          1HB       GLN   6   3.020   5.850   3.440
   45   1HG   GLN   6          2HG       GLN   6   4.375   6.587   5.051
   46   2HG   GLN   6          1HG       GLN   6   5.667   6.010   3.999
   47   1HE2  GLN   6          1HE2      GLN   6   3.565   8.863   3.822
   48   2HE2  GLN   6          2HE2      GLN   6   4.848  10.018   3.785
   49    H    PHE   7           H        PHE   7   2.774   3.703   1.569
   50    HA   PHE   7           HA       PHE   7   1.737   4.642  -0.997
   51   1HB   PHE   7          2HB       PHE   7   2.416   2.353  -1.092
   52   2HB   PHE   7          1HB       PHE   7   1.594   1.976   0.419
   53    HD1  PHE   7           1HD      PHE   7  -0.816   1.741   0.494
   54    HD2  PHE   7           2HD      PHE   7   1.217   2.473  -3.167
   55    HE1  PHE   7           1HE      PHE   7  -2.826   1.076  -0.746
   56    HE2  PHE   7           2HE      PHE   7  -0.790   1.807  -4.420
   57    HZ   PHE   7           HZ       PHE   7  -2.821   1.106  -3.211
   58    H    LYS   8           H        LYS   8  -0.413   5.100  -1.297
   59    HA   LYS   8           HA       LYS   8  -2.086   5.201   1.126
   60   1HB   LYS   8          2HB       LYS   8  -1.363   7.418   0.713
   61   2HB   LYS   8          1HB       LYS   8  -1.625   7.266  -1.015
   62   1HG   LYS   8          2HG       LYS   8  -4.102   7.030  -0.443
   63   2HG   LYS   8          1HG       LYS   8  -3.654   7.617   1.161
   64   1HD   LYS   8          2HD       LYS   8  -3.259   9.030  -1.475
   65   2HD   LYS   8          1HD       LYS   8  -4.355   9.492  -0.174
   66   1HE   LYS   8          2HE       LYS   8  -1.943   9.376   1.112
   67   2HE   LYS   8          1HE       LYS   8  -1.485   9.976  -0.482
   68   1HZ   LYS   8          1HZ       LYS   8  -2.421  11.945  -0.075
   69   2HZ   LYS   8          2HZ       LYS   8  -2.430  11.488   1.553
   70   3HZ   LYS   8          3HZ       LYS   8  -3.814  11.267   0.607
   71    H    LEU   9           H        LEU   9  -4.252   4.779   0.917
   72    HA   LEU   9           HA       LEU   9  -5.122   2.993  -1.037
   73   1HB   LEU   9          2HB       LEU   9  -6.123   3.269   1.201
   74   2HB   LEU   9          1HB       LEU   9  -6.768   4.821   0.719
   75    HG   LEU   9           HG       LEU   9  -8.468   3.034   0.755
   76   1HD1  LEU   9          1HD1      LEU   9  -8.403   3.575  -2.110
   77   2HD1  LEU   9          2HD1      LEU   9  -8.154   5.003  -1.106
   78   3HD1  LEU   9          3HD1      LEU   9  -9.600   4.017  -0.892
   79   1HD2  LEU   9          1HD2      LEU   9  -6.479   1.624  -0.780
   80   2HD2  LEU   9          2HD2      LEU   9  -8.046   1.645  -1.595
   81   3HD2  LEU   9          3HD2      LEU   9  -7.916   1.021   0.054
   82    H    SER  10           H        SER  10  -5.484   3.348  -3.130
   83    HA   SER  10           HA       SER  10  -6.766   5.869  -3.928
   84   1HB   SER  10          2HB       SER  10  -5.237   6.314  -5.620
   85   2HB   SER  10          1HB       SER  10  -4.186   5.670  -4.359
   86    HG   SER  10           HG       SER  10  -3.614   4.495  -6.068
   87    H    ASP  11           H        ASP  11  -8.674   5.340  -4.744
   88    HA   ASP  11           HA       ASP  11  -9.036   3.852  -7.056
   89   1HB   ASP  11          2HB       ASP  11  -8.456   1.870  -5.792
   90   2HB   ASP  11          1HB       ASP  11  -9.623   2.281  -4.539
   91    H    ILE  12           H        ILE  12 -10.412   4.936  -4.014
   92    HA   ILE  12           HA       ILE  12 -12.871   5.660  -5.465
   93    HB   ILE  12           HB       ILE  12 -13.987   5.347  -3.136
   94   1HG1  ILE  12          2HG1      ILE  12 -11.714   4.836  -2.084
   95   2HG1  ILE  12          1HG1      ILE  12 -13.039   3.755  -1.674
   96   1HG2  ILE  12          1HG2      ILE  12 -14.612   3.071  -3.716
   97   2HG2  ILE  12          2HG2      ILE  12 -13.246   2.967  -4.828
   98   3HG2  ILE  12          3HG2      ILE  12 -14.562   4.096  -5.151
   99   1HD1  ILE  12          1HD1      ILE  12 -11.538   2.856  -3.994
  100   2HD1  ILE  12          2HD1      ILE  12 -11.990   1.991  -2.527
  101   3HD1  ILE  12          3HD1      ILE  12 -10.546   3.004  -2.541
  102    H    GLY  13           H        GLY  13 -14.176   7.297  -4.173
  103   1HA   GLY  13          2HA       GLY  13 -12.459   9.530  -3.563
  104   2HA   GLY  13          1HA       GLY  13 -14.217   9.540  -3.597
  105    H    GLU  14           H        GLU  14 -13.075  10.930  -1.617
  106    HA   GLU  14           HA       GLU  14 -12.821   9.259   0.744
  107   1HB   GLU  14          2HB       GLU  14 -12.864  12.262   0.763
  108   2HB   GLU  14          1HB       GLU  14 -12.044  11.165   1.865
  109   1HG   GLU  14          2HG       GLU  14 -10.191  11.287   0.671
  110   2HG   GLU  14          1HG       GLU  14 -11.043  10.754  -0.776
  111    H    GLY  15           H        GLY  15 -15.106   8.480   0.513
  112   1HA   GLY  15          2HA       GLY  15 -16.783   9.239   2.447
  113   2HA   GLY  15          1HA       GLY  15 -17.163  10.423   1.208
  114    H    ILE  16           H        ILE  16 -16.645   8.418  -0.938
  115    HA   ILE  16           HA       ILE  16 -19.291   7.507  -1.260
  116    HB   ILE  16           HB       ILE  16 -18.522   6.354  -3.230
  117   1HG1  ILE  16          2HG1      ILE  16 -15.850   6.747  -3.538
  118   2HG1  ILE  16          1HG1      ILE  16 -15.919   6.415  -1.811
  119   1HG2  ILE  16          1HG2      ILE  16 -18.682   8.853  -3.207
  120   2HG2  ILE  16          2HG2      ILE  16 -17.622   8.188  -4.450
  121   3HG2  ILE  16          3HG2      ILE  16 -16.932   8.899  -2.991
  122   1HD1  ILE  16          1HD1      ILE  16 -16.176   4.625  -4.068
  123   2HD1  ILE  16          2HD1      ILE  16 -17.519   4.463  -2.937
  124   3HD1  ILE  16          3HD1      ILE  16 -15.861   4.271  -2.371
  125    H    ARG  17           H        ARG  17 -16.402   5.984  -0.052
  126    HA   ARG  17           HA       ARG  17 -17.202   4.178   1.676
  127   1HB   ARG  17          2HB       ARG  17 -18.851   3.140   0.268
  128   2HB   ARG  17          1HB       ARG  17 -17.721   3.003  -1.069
  129   1HG   ARG  17          2HG       ARG  17 -16.588   1.585   1.076
  130   2HG   ARG  17          1HG       ARG  17 -18.294   1.152   1.032
  131   1HD   ARG  17          2HD       ARG  17 -18.154   0.316  -1.135
  132   2HD   ARG  17          1HD       ARG  17 -16.658   1.187  -1.475
  133    HE   ARG  17           HE       ARG  17 -15.490  -0.572  -0.604
  134   1HH1  ARG  17          1HH1      ARG  17 -18.799  -0.780   0.460
  135   2HH1  ARG  17          2HH1      ARG  17 -18.597  -2.328   1.210
  136   1HH2  ARG  17          1HH2      ARG  17 -15.212  -2.610   0.381
  137   2HH2  ARG  17          2HH2      ARG  17 -16.558  -3.370   1.163
  138    H    GLU  18           H        GLU  18 -15.486   2.791   2.280
  139    HA   GLU  18           HA       GLU  18 -13.039   3.309   0.764
  140   1HB   GLU  18          2HB       GLU  18 -13.553   2.479   3.610
  141   2HB   GLU  18          1HB       GLU  18 -11.942   2.501   2.904
  142   1HG   GLU  18          2HG       GLU  18 -11.779   4.679   3.276
  143   2HG   GLU  18          1HG       GLU  18 -13.235   4.973   2.316
  144    H    VAL  19           H        VAL  19 -11.342   1.418   0.954
  145    HA   VAL  19           HA       VAL  19 -12.818  -1.059   0.290
  146    HB   VAL  19           HB       VAL  19 -11.850   0.027  -1.703
  147   1HG1  VAL  19          1HG1      VAL  19  -9.487   0.132  -2.047
  148   2HG1  VAL  19          2HG1      VAL  19  -9.176  -0.660  -0.502
  149   3HG1  VAL  19          3HG1      VAL  19  -9.863   0.965  -0.538
  150   1HG2  VAL  19          1HG2      VAL  19 -10.631  -2.633  -0.966
  151   2HG2  VAL  19          2HG2      VAL  19 -10.778  -1.989  -2.601
  152   3HG2  VAL  19          3HG2      VAL  19 -12.226  -2.377  -1.673
  153    H    THR  20           H        THR  20 -11.969  -3.037   0.791
  154    HA   THR  20           HA       THR  20 -10.035  -3.034   2.991
  155    HB   THR  20           HB       THR  20 -11.414  -5.537   2.177
  156    HG1  THR  20           1HG      THR  20 -13.354  -4.773   2.463
  157   1HG2  THR  20          1HG2      THR  20 -11.062  -4.278   4.896
  158   2HG2  THR  20          2HG2      THR  20  -9.869  -5.331   4.141
  159   3HG2  THR  20          3HG2      THR  20 -11.472  -5.952   4.530
  160    H    VAL  21           H        VAL  21  -8.335  -4.590   3.063
  161    HA   VAL  21           HA       VAL  21  -7.117  -5.017   0.477
  162    HB   VAL  21           HB       VAL  21  -6.079  -6.025   3.122
  163   1HG1  VAL  21          1HG1      VAL  21  -4.644  -5.258   0.583
  164   2HG1  VAL  21          2HG1      VAL  21  -5.048  -6.908   1.054
  165   3HG1  VAL  21          3HG1      VAL  21  -3.926  -5.962   2.030
  166   1HG2  VAL  21          1HG2      VAL  21  -4.692  -3.885   3.046
  167   2HG2  VAL  21          2HG2      VAL  21  -6.382  -3.729   3.526
  168   3HG2  VAL  21          3HG2      VAL  21  -5.884  -3.290   1.891
  169    H    LYS  22           H        LYS  22  -6.939  -6.891  -0.629
  170    HA   LYS  22           HA       LYS  22  -8.423  -9.185   0.423
  171   1HB   LYS  22          2HB       LYS  22  -8.817  -8.046  -1.905
  172   2HB   LYS  22          1HB       LYS  22  -7.430  -9.009  -2.396
  173   1HG   LYS  22          2HG       LYS  22  -9.212 -10.362  -2.956
  174   2HG   LYS  22          1HG       LYS  22  -8.740 -10.988  -1.375
  175   1HD   LYS  22          2HD       LYS  22 -10.542  -9.914  -0.299
  176   2HD   LYS  22          1HD       LYS  22 -10.867  -8.889  -1.699
  177   1HE   LYS  22          2HE       LYS  22 -11.302 -11.136  -2.921
  178   2HE   LYS  22          1HE       LYS  22 -11.477 -11.791  -1.293
  179   1HZ   LYS  22          1HZ       LYS  22 -13.374 -10.612  -0.920
  180   2HZ   LYS  22          2HZ       LYS  22 -13.520 -10.838  -2.590
  181   3HZ   LYS  22          3HZ       LYS  22 -12.962  -9.361  -1.984
  182    H    GLU  23           H        GLU  23  -5.256  -8.214  -0.725
  183    HA   GLU  23           HA       GLU  23  -4.210 -10.789   0.217
  184   1HB   GLU  23          2HB       GLU  23  -4.435 -10.450  -2.393
  185   2HB   GLU  23          1HB       GLU  23  -2.944  -9.542  -2.178
  186   1HG   GLU  23          2HG       GLU  23  -1.815 -11.445  -1.312
  187   2HG   GLU  23          1HG       GLU  23  -3.317 -12.362  -1.206
  188    H    TRP  24           H        TRP  24  -2.394 -10.688   1.385
  189    HA   TRP  24           HA       TRP  24  -0.884  -8.167   1.448
  190   1HB   TRP  24          2HB       TRP  24  -2.328  -9.495   3.649
  191   2HB   TRP  24          1HB       TRP  24  -0.676  -9.034   4.040
  192    HD1  TRP  24           HD       TRP  24  -3.972  -7.695   4.363
  193    HE1  TRP  24           1HE      TRP  24  -3.979  -5.124   4.478
  194    HE3  TRP  24           3HE      TRP  24   0.744  -6.796   2.621
  195    HZ2  TRP  24           2HZ      TRP  24  -2.218  -2.996   3.904
  196    HZ3  TRP  24           3HZ      TRP  24   1.506  -4.466   2.432
  197    HH2  TRP  24           HH       TRP  24   0.055  -2.606   3.059
  198    H    TYR  25           H        TYR  25   1.184  -8.557   0.944
  199    HA   TYR  25           HA       TYR  25   2.244 -11.248   1.523
  200   1HB   TYR  25          2HB       TYR  25   2.203  -9.687  -0.884
  201   2HB   TYR  25          1HB       TYR  25   3.870 -10.012  -0.420
  202    HD1  TYR  25           1HD      TYR  25   4.560 -11.602  -1.987
  203    HD2  TYR  25           2HD      TYR  25   0.881 -12.176   0.070
  204    HE1  TYR  25           1HE      TYR  25   4.387 -13.861  -2.942
  205    HE2  TYR  25           2HE      TYR  25   0.697 -14.437  -0.878
  206    HH   TYR  25           HH       TYR  25   2.950 -16.164  -1.975
  207    H    VAL  26           H        VAL  26   2.520  -8.120   2.598
  208    HA   VAL  26           HA       VAL  26   5.281  -8.638   3.476
  209    HB   VAL  26           HB       VAL  26   5.895  -6.346   3.234
  210   1HG1  VAL  26          1HG1      VAL  26   5.271  -5.983   0.735
  211   2HG1  VAL  26          2HG1      VAL  26   4.559  -7.590   0.875
  212   3HG1  VAL  26          3HG1      VAL  26   6.277  -7.355   1.201
  213   1HG2  VAL  26          1HG2      VAL  26   3.683  -5.407   3.912
  214   2HG2  VAL  26          2HG2      VAL  26   3.095  -5.745   2.285
  215   3HG2  VAL  26          3HG2      VAL  26   4.409  -4.597   2.527
  216    H    LYS  27           H        LYS  27   5.889  -7.402   5.469
  217    HA   LYS  27           HA       LYS  27   3.608  -6.727   7.174
  218   1HB   LYS  27          2HB       LYS  27   5.684  -8.823   7.803
  219   2HB   LYS  27          1HB       LYS  27   4.664  -8.086   9.031
  220   1HG   LYS  27          2HG       LYS  27   3.445  -9.382   6.629
  221   2HG   LYS  27          1HG       LYS  27   3.971 -10.349   8.009
  222   1HD   LYS  27          2HD       LYS  27   2.563  -8.308   9.194
  223   2HD   LYS  27          1HD       LYS  27   1.648  -8.606   7.715
  224   1HE   LYS  27          2HE       LYS  27   2.377 -11.104   8.904
  225   2HE   LYS  27          1HE       LYS  27   1.607 -10.084  10.117
  226   1HZ   LYS  27          1HZ       LYS  27   0.182  -9.926   7.685
  227   2HZ   LYS  27          2HZ       LYS  27  -0.353 -10.468   9.195
  228   3HZ   LYS  27          3HZ       LYS  27   0.373 -11.551   8.118
  229    H    GLU  28           H        GLU  28   4.294  -5.732   9.249
  230    HA   GLU  28           HA       GLU  28   5.879  -3.509   8.878
  231   1HB   GLU  28          2HB       GLU  28   5.552  -4.825  11.568
  232   2HB   GLU  28          1HB       GLU  28   5.682  -3.110  11.207
  233   1HG   GLU  28          2HG       GLU  28   3.469  -3.069  11.375
  234   2HG   GLU  28          1HG       GLU  28   3.456  -3.849   9.794
  235    H    GLY  29           H        GLY  29   8.014  -3.017   9.069
  236   1HA   GLY  29          2HA       GLY  29  10.268  -3.299   9.479
  237   2HA   GLY  29          1HA       GLY  29   9.858  -4.666  10.504
  238    H    ASP  30           H        ASP  30   8.420  -5.141   7.541
  239    HA   ASP  30           HA       ASP  30  10.499  -7.051   6.797
  240   1HB   ASP  30          2HB       ASP  30   7.866  -7.442   7.000
  241   2HB   ASP  30          1HB       ASP  30   7.918  -6.908   5.321
  242    H    THR  31           H        THR  31  11.235  -7.267   4.642
  243    HA   THR  31           HA       THR  31  11.276  -4.716   3.198
  244    HB   THR  31           HB       THR  31  13.049  -7.098   2.661
  245    HG1  THR  31           1HG      THR  31  13.857  -6.624   4.573
  246   1HG2  THR  31          1HG2      THR  31  12.764  -5.182   0.985
  247   2HG2  THR  31          2HG2      THR  31  14.410  -5.599   1.463
  248   3HG2  THR  31          3HG2      THR  31  13.619  -4.188   2.165
  249    H    VAL  32           H        VAL  32  10.871  -4.617   0.980
  250    HA   VAL  32           HA       VAL  32   9.211  -6.809  -0.033
  251    HB   VAL  32           HB       VAL  32   8.888  -4.654  -1.778
  252   1HG1  VAL  32          1HG1      VAL  32   6.683  -4.923  -1.295
  253   2HG1  VAL  32          2HG1      VAL  32   6.964  -5.057   0.440
  254   3HG1  VAL  32          3HG1      VAL  32   7.318  -6.421  -0.617
  255   1HG2  VAL  32          1HG2      VAL  32   9.878  -3.075  -0.262
  256   2HG2  VAL  32          2HG2      VAL  32   8.895  -3.673   1.075
  257   3HG2  VAL  32          3HG2      VAL  32   8.132  -2.826  -0.269
  258    H    SER  33           H        SER  33   9.282  -7.241  -2.342
  259    HA   SER  33           HA       SER  33  11.818  -6.588  -3.650
  260   1HB   SER  33          2HB       SER  33  10.739  -9.375  -3.188
  261   2HB   SER  33          1HB       SER  33  11.982  -9.007  -4.384
  262    HG   SER  33           HG       SER  33  13.064  -9.562  -2.558
  263    H    GLN  34           H        GLN  34  11.747  -7.421  -6.003
  264    HA   GLN  34           HA       GLN  34   9.569  -6.221  -7.296
  265   1HB   GLN  34          2HB       GLN  34  12.019  -7.554  -8.057
  266   2HB   GLN  34          1HB       GLN  34  10.706  -7.997  -9.139
  267   1HG   GLN  34          2HG       GLN  34  10.498  -5.898  -9.980
  268   2HG   GLN  34          1HG       GLN  34  11.033  -5.126  -8.488
  269   1HE2  GLN  34          1HE2      GLN  34  12.436  -7.499 -10.729
  270   2HE2  GLN  34          2HE2      GLN  34  13.928  -6.657 -10.954
  271    H    PHE  35           H        PHE  35   9.963  -9.411  -6.056
  272    HA   PHE  35           HA       PHE  35   7.670 -10.380  -7.607
  273   1HB   PHE  35          2HB       PHE  35   8.332 -12.594  -7.036
  274   2HB   PHE  35          1HB       PHE  35   9.800 -11.737  -7.488
  275    HD1  PHE  35           1HD      PHE  35  11.501 -11.236  -5.856
  276    HD2  PHE  35           2HD      PHE  35   7.918 -13.241  -4.736
  277    HE1  PHE  35           1HE      PHE  35  12.530 -11.870  -3.712
  278    HE2  PHE  35           2HE      PHE  35   8.940 -13.879  -2.591
  279    HZ   PHE  35           HZ       PHE  35  11.249 -13.193  -2.077
  280    H    ASP  36           H        ASP  36   8.549  -9.295  -4.470
  281    HA   ASP  36           HA       ASP  36   6.211 -10.543  -3.239
  282   1HB   ASP  36          2HB       ASP  36   8.691 -10.215  -2.247
  283   2HB   ASP  36          1HB       ASP  36   7.945  -8.732  -1.657
  284    H    SER  37           H        SER  37   4.411  -9.453  -3.791
  285    HA   SER  37           HA       SER  37   4.282  -6.636  -4.135
  286   1HB   SER  37          2HB       SER  37   1.879  -8.326  -3.496
  287   2HB   SER  37          1HB       SER  37   2.002  -6.937  -4.575
  288    HG   SER  37           HG       SER  37   1.897  -9.152  -5.531
  289    H    ILE  38           H        ILE  38   2.949  -5.159  -2.810
  290    HA   ILE  38           HA       ILE  38   3.464  -5.674   0.028
  291    HB   ILE  38           HB       ILE  38   2.728  -3.120  -1.411
  292   1HG1  ILE  38          2HG1      ILE  38   5.266  -4.138  -0.130
  293   2HG1  ILE  38          1HG1      ILE  38   4.998  -3.829  -1.841
  294   1HG2  ILE  38          1HG2      ILE  38   3.404  -2.118   0.880
  295   2HG2  ILE  38          2HG2      ILE  38   3.040  -3.722   1.511
  296   3HG2  ILE  38          3HG2      ILE  38   1.785  -2.792   0.696
  297   1HD1  ILE  38          1HD1      ILE  38   5.250  -1.580  -1.606
  298   2HD1  ILE  38          2HD1      ILE  38   6.304  -2.142  -0.307
  299   3HD1  ILE  38          3HD1      ILE  38   4.675  -1.574   0.062
  300    H    CYS  39           H        CYS  39   0.873  -3.672  -1.315
  301    HA   CYS  39           HA       CYS  39  -1.029  -5.266   0.263
  302   1HB   CYS  39          2HB       CYS  39  -2.288  -3.320   0.694
  303   2HB   CYS  39          1HB       CYS  39  -0.613  -2.824   0.892
  304    HG   CYS  39           HG       CYS  39  -2.925  -1.639  -1.147
  305    H    GLU  40           H        GLU  40  -3.091  -5.697  -0.581
  306    HA   GLU  40           HA       GLU  40  -3.490  -5.167  -3.434
  307   1HB   GLU  40          2HB       GLU  40  -2.520  -7.563  -2.719
  308   2HB   GLU  40          1HB       GLU  40  -4.232  -7.877  -2.464
  309   1HG   GLU  40          2HG       GLU  40  -3.750  -6.562  -4.993
  310   2HG   GLU  40          1HG       GLU  40  -2.842  -8.066  -4.848
  311    H    VAL  41           H        VAL  41  -5.477  -4.404  -3.791
  312    HA   VAL  41           HA       VAL  41  -7.618  -5.153  -1.917
  313    HB   VAL  41           HB       VAL  41  -8.509  -2.918  -1.921
  314   1HG1  VAL  41          1HG1      VAL  41  -6.094  -3.656  -0.740
  315   2HG1  VAL  41          2HG1      VAL  41  -7.165  -2.344  -0.246
  316   3HG1  VAL  41          3HG1      VAL  41  -5.829  -2.023  -1.352
  317   1HG2  VAL  41          1HG2      VAL  41  -7.078  -2.608  -4.299
  318   2HG2  VAL  41          2HG2      VAL  41  -6.335  -1.486  -3.160
  319   3HG2  VAL  41          3HG2      VAL  41  -8.067  -1.397  -3.483
  320    H    GLN  42           H        GLN  42  -9.779  -4.999  -2.773
  321    HA   GLN  42           HA       GLN  42  -9.959  -4.879  -5.696
  322   1HB   GLN  42          2HB       GLN  42 -10.593  -7.219  -3.954
  323   2HB   GLN  42          1HB       GLN  42 -11.603  -6.924  -5.363
  324   1HG   GLN  42          2HG       GLN  42  -9.936  -7.413  -6.839
  325   2HG   GLN  42          1HG       GLN  42  -8.657  -6.927  -5.727
  326   1HE2  GLN  42          1HE2      GLN  42  -7.442  -8.745  -5.834
  327   2HE2  GLN  42          2HE2      GLN  42  -7.971 -10.295  -5.283
  328    H    SER  43           H        SER  43 -11.672  -3.786  -6.390
  329    HA   SER  43           HA       SER  43 -13.859  -3.270  -4.484
  330   1HB   SER  43          2HB       SER  43 -12.177  -1.397  -5.629
  331   2HB   SER  43          1HB       SER  43 -13.600  -1.338  -6.669
  332    HG   SER  43           HG       SER  43 -14.001   0.057  -5.018
  333    H    ASP  44           H        ASP  44 -15.990  -3.121  -5.350
  334    HA   ASP  44           HA       ASP  44 -16.759  -5.094  -7.086
  335   1HB   ASP  44          2HB       ASP  44 -18.208  -3.624  -5.558
  336   2HB   ASP  44          1HB       ASP  44 -18.273  -2.495  -6.908
  337    H    LYS  45           H        LYS  45 -16.287  -1.663  -7.896
  338    HA   LYS  45           HA       LYS  45 -16.885  -1.859 -10.617
  339   1HB   LYS  45          2HB       LYS  45 -15.340   0.203 -10.786
  340   2HB   LYS  45          1HB       LYS  45 -16.799   0.321  -9.816
  341   1HG   LYS  45          2HG       LYS  45 -14.732  -0.573  -8.107
  342   2HG   LYS  45          1HG       LYS  45 -14.097   0.773  -9.052
  343   1HD   LYS  45          2HD       LYS  45 -16.613   1.639  -8.359
  344   2HD   LYS  45          1HD       LYS  45 -16.095   0.748  -6.926
  345   1HE   LYS  45          2HE       LYS  45 -14.984   2.587  -6.333
  346   2HE   LYS  45          1HE       LYS  45 -13.860   2.214  -7.640
  347   1HZ   LYS  45          1HZ       LYS  45 -14.921   3.694  -9.071
  348   2HZ   LYS  45          2HZ       LYS  45 -14.892   4.522  -7.597
  349   3HZ   LYS  45          3HZ       LYS  45 -16.319   3.782  -8.122
  350    H    ALA  46           H        ALA  46 -13.626  -1.743  -9.135
  351    HA   ALA  46           HA       ALA  46 -12.677  -3.636 -11.125
  352   1HB   ALA  46          1HB       ALA  46 -11.546  -0.852 -10.880
  353   2HB   ALA  46          2HB       ALA  46 -12.336  -1.563 -12.288
  354   3HB   ALA  46          3HB       ALA  46 -10.770  -2.173 -11.755
  355    H    SER  47           H        SER  47 -10.436  -4.344 -10.686
  356    HA   SER  47           HA       SER  47  -9.935  -4.366  -7.792
  357   1HB   SER  47          2HB       SER  47  -8.889  -6.257  -9.914
  358   2HB   SER  47          1HB       SER  47  -8.694  -6.431  -8.170
  359    HG   SER  47           HG       SER  47 -11.071  -6.610  -9.693
  360    H    VAL  48           H        VAL  48  -7.907  -3.900  -6.952
  361    HA   VAL  48           HA       VAL  48  -5.925  -2.838  -8.852
  362    HB   VAL  48           HB       VAL  48  -6.389  -1.555  -6.174
  363   1HG1  VAL  48          1HG1      VAL  48  -4.860  -0.040  -6.817
  364   2HG1  VAL  48          2HG1      VAL  48  -5.445  -0.002  -8.480
  365   3HG1  VAL  48          3HG1      VAL  48  -4.361  -1.291  -7.956
  366   1HG2  VAL  48          1HG2      VAL  48  -8.417  -0.939  -6.938
  367   2HG2  VAL  48          2HG2      VAL  48  -8.016  -1.323  -8.613
  368   3HG2  VAL  48          3HG2      VAL  48  -7.497   0.210  -7.910
  369    H    THR  49           H        THR  49  -4.035  -3.808  -8.653
  370    HA   THR  49           HA       THR  49  -3.314  -5.000  -6.055
  371    HB   THR  49           HB       THR  49  -1.872  -6.563  -7.307
  372    HG1  THR  49           1HG      THR  49  -1.403  -5.577  -9.204
  373   1HG2  THR  49          1HG2      THR  49  -4.423  -6.954  -8.718
  374   2HG2  THR  49          2HG2      THR  49  -4.565  -6.718  -6.976
  375   3HG2  THR  49          3HG2      THR  49  -3.564  -8.025  -7.610
  376    H    ILE  50           H        ILE  50  -1.497  -4.306  -5.077
  377    HA   ILE  50           HA       ILE  50   0.100  -2.310  -6.509
  378    HB   ILE  50           HB       ILE  50   0.047  -2.898  -3.551
  379   1HG1  ILE  50          2HG1      ILE  50  -2.108  -2.037  -4.319
  380   2HG1  ILE  50          1HG1      ILE  50  -1.259  -0.816  -3.379
  381   1HG2  ILE  50          1HG2      ILE  50   1.852  -1.416  -5.165
  382   2HG2  ILE  50          2HG2      ILE  50   1.833  -1.591  -3.410
  383   3HG2  ILE  50          3HG2      ILE  50   0.936  -0.279  -4.175
  384   1HD1  ILE  50          1HD1      ILE  50  -1.642  -0.926  -6.350
  385   2HD1  ILE  50          2HD1      ILE  50  -0.489   0.157  -5.571
  386   3HD1  ILE  50          3HD1      ILE  50  -2.211   0.298  -5.215
  387    H    THR  51           H        THR  51   1.753  -3.180  -7.542
  388    HA   THR  51           HA       THR  51   3.201  -5.452  -6.485
  389    HB   THR  51           HB       THR  51   4.634  -5.138  -8.534
  390    HG1  THR  51           1HG      THR  51   4.279  -2.929  -8.900
  391   1HG2  THR  51          1HG2      THR  51   2.722  -5.686 -10.151
  392   2HG2  THR  51          2HG2      THR  51   1.659  -5.514  -8.755
  393   3HG2  THR  51          3HG2      THR  51   2.928  -6.740  -8.752
  394    H    SER  52           H        SER  52   5.763  -5.122  -6.884
  395    HA   SER  52           HA       SER  52   6.460  -2.918  -5.091
  396   1HB   SER  52          2HB       SER  52   7.117  -5.440  -4.763
  397   2HB   SER  52          1HB       SER  52   8.406  -5.046  -5.900
  398    HG   SER  52           HG       SER  52   7.893  -3.503  -3.586
  399    H    ARG  53           H        ARG  53   8.027  -4.528  -7.870
  400    HA   ARG  53           HA       ARG  53   9.084  -3.681  -9.696
  401   1HB   ARG  53          2HB       ARG  53   7.958  -1.966 -10.575
  402   2HB   ARG  53          1HB       ARG  53   7.211  -1.660  -9.021
  403   1HG   ARG  53          2HG       ARG  53   8.087   0.393  -9.498
  404   2HG   ARG  53          1HG       ARG  53   9.416  -0.301  -8.573
  405   1HD   ARG  53          2HD       ARG  53  10.573   0.487 -10.379
  406   2HD   ARG  53          1HD       ARG  53  10.179  -1.129 -10.964
  407    HE   ARG  53           HE       ARG  53   8.170   0.768 -11.661
  408   1HH1  ARG  53          1HH1      ARG  53  11.332  -0.401 -12.537
  409   2HH1  ARG  53          2HH1      ARG  53  11.187   0.070 -14.198
  410   1HH2  ARG  53          1HH2      ARG  53   7.967   1.389 -13.842
  411   2HH2  ARG  53          2HH2      ARG  53   9.271   1.086 -14.941
  412    H    TYR  54           H        TYR  54   9.925  -3.321  -6.603
  413    HA   TYR  54           HA       TYR  54  12.655  -2.955  -7.075
  414   1HB   TYR  54          2HB       TYR  54  11.082  -0.522  -6.450
  415   2HB   TYR  54          1HB       TYR  54  12.538  -0.751  -5.489
  416    HD1  TYR  54           1HD      TYR  54  11.260   0.625  -8.446
  417    HD2  TYR  54           2HD      TYR  54  14.690  -1.370  -6.911
  418    HE1  TYR  54           1HE      TYR  54  12.609   1.544 -10.285
  419    HE2  TYR  54           2HE      TYR  54  16.049  -0.456  -8.746
  420    HH   TYR  54           HH       TYR  54  14.598   1.359 -11.384
  421    H    ASP  55           H        ASP  55  13.846  -2.815  -4.915
  422    HA   ASP  55           HA       ASP  55  12.263  -4.294  -2.948
  423   1HB   ASP  55          2HB       ASP  55  14.209  -5.503  -3.556
  424   2HB   ASP  55          1HB       ASP  55  15.238  -4.082  -3.402
  425    H    GLY  56           H        GLY  56  11.656  -3.397  -1.098
  426   1HA   GLY  56          2HA       GLY  56  13.156  -1.068  -0.115
  427   2HA   GLY  56          1HA       GLY  56  11.427  -0.915  -0.376
  428    H    VAL  57           H        VAL  57  12.522  -0.392   2.075
  429    HA   VAL  57           HA       VAL  57  12.001  -2.770   3.708
  430    HB   VAL  57           HB       VAL  57  13.168  -0.095   4.495
  431   1HG1  VAL  57          1HG1      VAL  57  13.870  -1.660   6.513
  432   2HG1  VAL  57          2HG1      VAL  57  12.388  -2.499   6.056
  433   3HG1  VAL  57          3HG1      VAL  57  12.333  -0.794   6.501
  434   1HG2  VAL  57          1HG2      VAL  57  15.286  -1.236   4.623
  435   2HG2  VAL  57          2HG2      VAL  57  14.600  -1.475   3.016
  436   3HG2  VAL  57          3HG2      VAL  57  14.527  -2.772   4.209
  437    H    ILE  58           H        ILE  58  10.050  -3.037   4.544
  438    HA   ILE  58           HA       ILE  58   8.262  -0.730   4.857
  439    HB   ILE  58           HB       ILE  58   7.487  -3.624   5.200
  440   1HG1  ILE  58          2HG1      ILE  58   7.213  -2.072   2.635
  441   2HG1  ILE  58          1HG1      ILE  58   8.605  -3.103   2.955
  442   1HG2  ILE  58          1HG2      ILE  58   5.347  -2.349   4.132
  443   2HG2  ILE  58          2HG2      ILE  58   6.081  -1.043   5.068
  444   3HG2  ILE  58          3HG2      ILE  58   5.619  -2.547   5.866
  445   1HD1  ILE  58          1HD1      ILE  58   6.098  -4.455   3.448
  446   2HD1  ILE  58          2HD1      ILE  58   7.469  -4.940   2.452
  447   3HD1  ILE  58          3HD1      ILE  58   6.235  -3.866   1.792
  448    H    LYS  59           H        LYS  59   7.872   0.087   6.802
  449    HA   LYS  59           HA       LYS  59   9.015  -1.292   9.101
  450   1HB   LYS  59          2HB       LYS  59   9.875   0.747   9.369
  451   2HB   LYS  59          1HB       LYS  59   8.748   1.457   8.232
  452   1HG   LYS  59          2HG       LYS  59   7.176   1.922   9.929
  453   2HG   LYS  59          1HG       LYS  59   8.008   0.886  11.090
  454   1HD   LYS  59          2HD       LYS  59   8.355   3.350  11.426
  455   2HD   LYS  59          1HD       LYS  59   9.836   2.408  11.255
  456   1HE   LYS  59          2HE       LYS  59   8.874   3.340   8.693
  457   2HE   LYS  59          1HE       LYS  59   9.109   4.679   9.815
  458   1HZ   LYS  59          1HZ       LYS  59  11.102   4.113   8.487
  459   2HZ   LYS  59          2HZ       LYS  59  11.160   2.607   9.255
  460   3HZ   LYS  59          3HZ       LYS  59  11.363   4.023  10.157
  461    H    LYS  60           H        LYS  60   5.853   0.084   8.132
  462    HA   LYS  60           HA       LYS  60   4.657  -1.651  10.119
  463   1HB   LYS  60          2HB       LYS  60   3.795  -0.110  11.560
  464   2HB   LYS  60          1HB       LYS  60   5.277   0.712  11.106
  465   1HG   LYS  60          2HG       LYS  60   2.526   1.257  10.005
  466   2HG   LYS  60          1HG       LYS  60   3.419   2.259  11.150
  467   1HD   LYS  60          2HD       LYS  60   4.756   1.614   8.586
  468   2HD   LYS  60          1HD       LYS  60   3.396   2.735   8.524
  469   1HE   LYS  60          2HE       LYS  60   5.688   3.055  10.444
  470   2HE   LYS  60          1HE       LYS  60   5.695   3.761   8.828
  471   1HZ   LYS  60          1HZ       LYS  60   3.269   4.409  10.059
  472   2HZ   LYS  60          2HZ       LYS  60   4.524   5.450   9.608
  473   3HZ   LYS  60          3HZ       LYS  60   4.508   4.765  11.154
  474    H    LEU  61           H        LEU  61   2.501  -2.080   9.876
  475    HA   LEU  61           HA       LEU  61   1.115  -0.923   7.567
  476   1HB   LEU  61          2HB       LEU  61   1.382  -3.882   8.128
  477   2HB   LEU  61          1HB       LEU  61   0.354  -3.178   6.894
  478    HG   LEU  61           HG       LEU  61   2.953  -2.187   6.406
  479   1HD1  LEU  61          1HD1      LEU  61   2.964  -4.873   7.554
  480   2HD1  LEU  61          2HD1      LEU  61   4.288  -3.735   7.305
  481   3HD1  LEU  61          3HD1      LEU  61   3.745  -4.759   5.976
  482   1HD2  LEU  61          1HD2      LEU  61   2.714  -3.741   4.401
  483   2HD2  LEU  61          2HD2      LEU  61   1.463  -2.519   4.628
  484   3HD2  LEU  61          3HD2      LEU  61   1.155  -4.194   5.088
  485    H    TYR  62           H        TYR  62  -0.670  -0.049   8.419
  486    HA   TYR  62           HA       TYR  62  -1.802  -1.097  10.865
  487   1HB   TYR  62          2HB       TYR  62  -1.537   1.379  10.275
  488   2HB   TYR  62          1HB       TYR  62  -2.933   1.159   9.224
  489    HD1  TYR  62           1HD      TYR  62  -5.019   1.621  10.097
  490    HD2  TYR  62           2HD      TYR  62  -1.899   0.473  12.752
  491    HE1  TYR  62           1HE      TYR  62  -6.521   1.980  12.010
  492    HE2  TYR  62           2HE      TYR  62  -3.392   0.830  14.672
  493    HH   TYR  62           HH       TYR  62  -6.004   2.568  14.674
  494    H    TYR  63           H        TYR  63  -2.771  -0.836   7.468
  495    HA   TYR  63           HA       TYR  63  -5.329  -2.086   8.049
  496   1HB   TYR  63          2HB       TYR  63  -4.145  -1.191   5.415
  497   2HB   TYR  63          1HB       TYR  63  -5.796  -1.755   5.658
  498    HD1  TYR  63           1HD      TYR  63  -4.626   1.004   4.639
  499    HD2  TYR  63           2HD      TYR  63  -6.265  -0.353   8.323
  500    HE1  TYR  63           1HE      TYR  63  -5.327   3.302   5.168
  501    HE2  TYR  63           2HE      TYR  63  -6.971   1.939   8.861
  502    HH   TYR  63           HH       TYR  63  -6.336   4.252   8.250
  503    H    ASN  64           H        ASN  64  -5.938  -4.111   7.512
  504    HA   ASN  64           HA       ASN  64  -3.902  -5.863   6.317
  505   1HB   ASN  64          2HB       ASN  64  -5.830  -6.530   8.546
  506   2HB   ASN  64          1HB       ASN  64  -4.777  -7.697   7.742
  507   1HD2  ASN  64          1HD2      ASN  64  -2.649  -7.790   8.282
  508   2HD2  ASN  64          2HD2      ASN  64  -1.939  -6.865   9.557
  509    H    LEU  65           H        LEU  65  -5.223  -8.120   5.977
  510    HA   LEU  65           HA       LEU  65  -6.678  -7.810   3.662
  511   1HB   LEU  65          2HB       LEU  65  -6.483 -10.036   5.665
  512   2HB   LEU  65          1HB       LEU  65  -7.412 -10.197   4.196
  513    HG   LEU  65           HG       LEU  65  -4.886  -9.254   3.403
  514   1HD1  LEU  65          1HD1      LEU  65  -3.489 -11.166   4.300
  515   2HD1  LEU  65          2HD1      LEU  65  -4.737 -11.371   5.528
  516   3HD1  LEU  65          3HD1      LEU  65  -3.843  -9.855   5.424
  517   1HD2  LEU  65          1HD2      LEU  65  -5.010 -10.987   1.959
  518   2HD2  LEU  65          2HD2      LEU  65  -6.675 -11.054   2.533
  519   3HD2  LEU  65          3HD2      LEU  65  -5.464 -12.143   3.209
  520    H    ASP  66           H        ASP  66  -7.771  -7.421   6.905
  521    HA   ASP  66           HA       ASP  66 -10.570  -7.697   6.051
  522   1HB   ASP  66          2HB       ASP  66  -9.153  -8.361   8.483
  523   2HB   ASP  66          1HB       ASP  66 -10.529  -7.315   8.821
  524    H    ASP  67           H        ASP  67  -8.238  -5.391   7.210
  525    HA   ASP  67           HA       ASP  67 -10.203  -3.432   7.957
  526   1HB   ASP  67          2HB       ASP  67  -7.530  -3.805   8.523
  527   2HB   ASP  67          1HB       ASP  67  -7.521  -2.398   7.464
  528    H    ILE  68           H        ILE  68 -10.406  -1.338   7.033
  529    HA   ILE  68           HA       ILE  68 -10.197  -1.340   4.089
  530    HB   ILE  68           HB       ILE  68 -11.862   0.680   5.481
  531   1HG1  ILE  68          2HG1      ILE  68 -12.472  -1.347   6.716
  532   2HG1  ILE  68          1HG1      ILE  68 -13.788  -0.834   5.664
  533   1HG2  ILE  68          1HG2      ILE  68 -13.151   0.602   3.530
  534   2HG2  ILE  68          2HG2      ILE  68 -12.540  -0.987   3.085
  535   3HG2  ILE  68          3HG2      ILE  68 -11.483   0.427   2.980
  536   1HD1  ILE  68          1HD1      ILE  68 -12.687  -3.362   5.839
  537   2HD1  ILE  68          2HD1      ILE  68 -12.036  -2.700   4.339
  538   3HD1  ILE  68          3HD1      ILE  68 -13.780  -2.769   4.588
  539    H    ALA  69           H        ALA  69  -9.328   0.346   3.019
  540    HA   ALA  69           HA       ALA  69  -7.858   2.284   4.664
  541   1HB   ALA  69          1HB       ALA  69  -6.248   2.448   2.961
  542   2HB   ALA  69          2HB       ALA  69  -7.306   1.688   1.773
  543   3HB   ALA  69          3HB       ALA  69  -6.611   0.726   3.076
  544    H    TYR  70           H        TYR  70  -7.972   4.473   4.181
  545    HA   TYR  70           HA       TYR  70 -10.168   5.246   2.377
  546   1HB   TYR  70          2HB       TYR  70  -9.664   7.315   4.290
  547   2HB   TYR  70          1HB       TYR  70 -11.135   6.389   4.036
  548    HD1  TYR  70           1HD      TYR  70 -11.360   4.153   5.253
  549    HD2  TYR  70           2HD      TYR  70  -8.401   7.045   6.244
  550    HE1  TYR  70           1HE      TYR  70 -11.081   3.104   7.460
  551    HE2  TYR  70           2HE      TYR  70  -8.113   6.003   8.453
  552    HH   TYR  70           HH       TYR  70 -10.038   4.302   9.948
  553    H    VAL  71           H        VAL  71  -9.953   7.136   1.175
  554    HA   VAL  71           HA       VAL  71  -7.252   7.700   0.371
  555    HB   VAL  71           HB       VAL  71  -9.605   9.265  -0.624
  556   1HG1  VAL  71          1HG1      VAL  71  -8.125   8.616  -2.776
  557   2HG1  VAL  71          2HG1      VAL  71  -6.881   8.592  -1.525
  558   3HG1  VAL  71          3HG1      VAL  71  -7.840  10.049  -1.787
  559   1HG2  VAL  71          1HG2      VAL  71  -9.295   7.054  -2.326
  560   2HG2  VAL  71          2HG2      VAL  71 -10.683   7.450  -1.314
  561   3HG2  VAL  71          3HG2      VAL  71  -9.411   6.402  -0.693
  562    H    GLY  72           H        GLY  72  -6.095   9.555   0.648
  563   1HA   GLY  72          2HA       GLY  72  -6.197  11.996   1.093
  564   2HA   GLY  72          1HA       GLY  72  -7.306  11.604   2.397
  565    H    LYS  73           H        LYS  73  -5.494   9.159   2.910
  566    HA   LYS  73           HA       LYS  73  -3.143  10.485   4.010
  567   1HB   LYS  73          2HB       LYS  73  -5.170   9.008   5.691
  568   2HB   LYS  73          1HB       LYS  73  -3.551   9.411   6.245
  569   1HG   LYS  73          2HG       LYS  73  -5.206  11.626   5.192
  570   2HG   LYS  73          1HG       LYS  73  -5.665  10.936   6.748
  571   1HD   LYS  73          2HD       LYS  73  -2.809  11.639   6.248
  572   2HD   LYS  73          1HD       LYS  73  -3.960  12.923   6.622
  573   1HE   LYS  73          2HE       LYS  73  -4.554  11.029   8.508
  574   2HE   LYS  73          1HE       LYS  73  -2.806  10.866   8.349
  575   1HZ   LYS  73          1HZ       LYS  73  -3.141  12.475   9.994
  576   2HZ   LYS  73          2HZ       LYS  73  -4.354  13.265   9.121
  577   3HZ   LYS  73          3HZ       LYS  73  -2.745  13.367   8.611
  578    HA   PRO  74           HA       PRO  74  -1.257   6.726   2.528
  579   1HB   PRO  74          2HB       PRO  74   0.726   7.314   4.671
  580   2HB   PRO  74          1HB       PRO  74   0.987   7.008   2.950
  581   1HG   PRO  74          2HG       PRO  74   1.186   9.474   3.926
  582   2HG   PRO  74          1HG       PRO  74   0.437   9.182   2.344
  583   1HD   PRO  74          2HD       PRO  74  -0.856   9.778   4.975
  584   2HD   PRO  74          1HD       PRO  74  -1.301  10.333   3.348
  585    H    LEU  75           H        LEU  75  -0.710   4.590   3.334
  586    HA   LEU  75           HA       LEU  75  -1.854   4.069   5.997
  587   1HB   LEU  75          2HB       LEU  75  -2.921   2.148   5.242
  588   2HB   LEU  75          1HB       LEU  75  -3.193   3.313   3.962
  589    HG   LEU  75           HG       LEU  75  -0.901   2.070   3.114
  590   1HD1  LEU  75          1HD1      LEU  75  -2.548   0.136   4.698
  591   2HD1  LEU  75          2HD1      LEU  75  -0.796   0.333   4.648
  592   3HD1  LEU  75          3HD1      LEU  75  -1.641  -0.395   3.281
  593   1HD2  LEU  75          1HD2      LEU  75  -3.781   1.931   2.483
  594   2HD2  LEU  75          2HD2      LEU  75  -2.774   0.640   1.826
  595   3HD2  LEU  75          3HD2      LEU  75  -2.405   2.323   1.451
  596    H    VAL  76           H        VAL  76   0.722   3.337   3.736
  597    HA   VAL  76           HA       VAL  76   2.125   1.972   5.933
  598    HB   VAL  76           HB       VAL  76   1.184   0.245   4.418
  599   1HG1  VAL  76          1HG1      VAL  76   2.054   1.999   2.409
  600   2HG1  VAL  76          2HG1      VAL  76   1.296   0.420   2.207
  601   3HG1  VAL  76          3HG1      VAL  76   3.054   0.554   2.265
  602   1HG2  VAL  76          1HG2      VAL  76   2.954  -1.068   4.820
  603   2HG2  VAL  76          2HG2      VAL  76   3.674   0.371   5.541
  604   3HG2  VAL  76          3HG2      VAL  76   4.040  -0.055   3.870
  605    H    ASP  77           H        ASP  77   4.379   2.143   5.925
  606    HA   ASP  77           HA       ASP  77   5.462   4.101   4.011
  607   1HB   ASP  77          2HB       ASP  77   6.664   3.614   6.720
  608   2HB   ASP  77          1HB       ASP  77   6.832   5.021   5.680
  609    H    ILE  78           H        ILE  78   7.133   3.489   2.792
  610    HA   ILE  78           HA       ILE  78   8.763   1.200   3.626
  611    HB   ILE  78           HB       ILE  78   7.976   1.341   0.757
  612   1HG1  ILE  78          2HG1      ILE  78   6.156  -0.433   1.536
  613   2HG1  ILE  78          1HG1      ILE  78   6.190   0.538   3.007
  614   1HG2  ILE  78          1HG2      ILE  78   8.824  -0.802   2.676
  615   2HG2  ILE  78          2HG2      ILE  78   9.652  -0.227   1.229
  616   3HG2  ILE  78          3HG2      ILE  78   8.171  -1.173   1.081
  617   1HD1  ILE  78          1HD1      ILE  78   4.677   1.030   0.770
  618   2HD1  ILE  78          2HD1      ILE  78   6.021   2.165   0.614
  619   3HD1  ILE  78          3HD1      ILE  78   5.023   2.170   2.071
  620    H    GLU  79           H        GLU  79  10.887   1.166   2.720
  621    HA   GLU  79           HA       GLU  79  11.679   3.774   1.633
  622   1HB   GLU  79          2HB       GLU  79  12.914   1.843   3.408
  623   2HB   GLU  79          1HB       GLU  79  13.981   2.241   2.069
  624   1HG   GLU  79          2HG       GLU  79  12.750   4.603   3.184
  625   2HG   GLU  79          1HG       GLU  79  13.627   3.683   4.406
  626    H    THR  80           H        THR  80  11.737   3.901  -0.482
  627    HA   THR  80           HA       THR  80  13.004   1.773  -2.036
  628    HB   THR  80           HB       THR  80  10.983   2.545  -3.733
  629    HG1  THR  80           1HG      THR  80   9.072   2.283  -2.415
  630   1HG2  THR  80          1HG2      THR  80  10.795   0.329  -3.854
  631   2HG2  THR  80          2HG2      THR  80  10.127   0.260  -2.223
  632   3HG2  THR  80          3HG2      THR  80  11.874   0.198  -2.464
  633    H    GLU  81           H        GLU  81  13.692   2.490  -4.175
  634    HA   GLU  81           HA       GLU  81  14.930   4.990  -4.161
  635   1HB   GLU  81          2HB       GLU  81  14.871   2.754  -5.859
  636   2HB   GLU  81          1HB       GLU  81  14.367   4.108  -6.860
  637   1HG   GLU  81          2HG       GLU  81  16.444   5.283  -5.805
  638   2HG   GLU  81          1HG       GLU  81  16.965   3.629  -5.488
  639    H    ALA  82           H        ALA  82  14.504   6.895  -5.408
  640    HA   ALA  82           HA       ALA  82  12.128   8.118  -5.091
  641   1HB   ALA  82          1HB       ALA  82  14.417   8.887  -6.203
  642   2HB   ALA  82          2HB       ALA  82  12.922   9.807  -6.379
  643   3HB   ALA  82          3HB       ALA  82  13.450   8.727  -7.669
  644    H    LEU  83           H        LEU  83  10.128   7.570  -5.624
  645    HA   LEU  83           HA       LEU  83   9.646   6.436  -8.300
  646   1HB   LEU  83          2HB       LEU  83   8.639   5.625  -5.627
  647   2HB   LEU  83          1HB       LEU  83   7.513   5.530  -6.967
  648    HG   LEU  83           HG       LEU  83   9.928   4.326  -7.833
  649   1HD1  LEU  83          1HD1      LEU  83   9.598   4.063  -5.013
  650   2HD1  LEU  83          2HD1      LEU  83  10.826   3.349  -6.058
  651   3HD1  LEU  83          3HD1      LEU  83   9.307   2.499  -5.774
  652   1HD2  LEU  83          1HD2      LEU  83   7.664   2.629  -6.993
  653   2HD2  LEU  83          2HD2      LEU  83   8.518   2.705  -8.534
  654   3HD2  LEU  83          3HD2      LEU  83   7.294   3.913  -8.144
  655    H    LYS  84           H        LYS  84   7.846   7.128  -9.426
  656    HA   LYS  84           HA       LYS  84   6.937   9.776  -8.788
  657   1HB   LYS  84          2HB       LYS  84   5.542   9.415 -10.909
  658   2HB   LYS  84          1HB       LYS  84   7.292   9.430 -11.076
  659   1HG   LYS  84          2HG       LYS  84   7.365   7.308 -11.774
  660   2HG   LYS  84          1HG       LYS  84   6.163   6.775 -10.596
  661   1HD   LYS  84          2HD       LYS  84   5.364   8.415 -12.975
  662   2HD   LYS  84          1HD       LYS  84   5.578   6.669 -13.111
  663   1HE   LYS  84          2HE       LYS  84   3.619   6.275 -12.131
  664   2HE   LYS  84          1HE       LYS  84   4.009   7.347 -10.786
  665   1HZ   LYS  84          1HZ       LYS  84   3.319   8.663 -13.277
  666   2HZ   LYS  84          2HZ       LYS  84   2.864   9.037 -11.692
  667   3HZ   LYS  84          3HZ       LYS  84   2.057   7.814 -12.536
  668    H    ASP  85           H        ASP  85   5.754   6.589  -8.271
  669    HA   ASP  85           HA       ASP  85   3.070   6.663  -8.319
  670   1HB   ASP  85          2HB       ASP  85   4.708   5.611  -6.008
  671   2HB   ASP  85          1HB       ASP  85   3.049   5.153  -6.382
  672    H    LEU  86           H        LEU  86   4.980   8.006  -5.612
  673    HA   LEU  86           HA       LEU  86   2.778   8.864  -4.094
  674   1HB   LEU  86          2HB       LEU  86   5.444   8.771  -3.676
  675   2HB   LEU  86          1HB       LEU  86   5.236  10.492  -3.937
  676    HG   LEU  86           HG       LEU  86   5.072  10.249  -1.621
  677   1HD1  LEU  86          1HD1      LEU  86   2.238  10.150  -2.646
  678   2HD1  LEU  86          2HD1      LEU  86   3.245  11.592  -2.509
  679   3HD1  LEU  86          3HD1      LEU  86   2.744  10.725  -1.058
  680   1HD2  LEU  86          1HD2      LEU  86   3.427   8.520  -0.652
  681   2HD2  LEU  86          2HD2      LEU  86   4.986   7.954  -1.250
  682   3HD2  LEU  86          3HD2      LEU  86   3.538   7.750  -2.235
  683    H    GLU  87           H        GLU  87   4.187  10.188  -6.936
  684    HA   GLU  87           HA       GLU  87   3.922  12.159  -8.064
  685   1HB   GLU  87          2HB       GLU  87   1.503  12.890  -8.195
  686   2HB   GLU  87          1HB       GLU  87   1.825  11.218  -8.630
  687   1HG   GLU  87          2HG       GLU  87   1.029  10.466  -6.479
  688   2HG   GLU  87          1HG       GLU  87   0.801  12.133  -5.952
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1  20.216   8.467   3.843
    2   2H    MET   1          2HT       MET   1  19.319   7.891   2.531
    3   3H    MET   1          3HT       MET   1  20.984   7.603   2.607
    4    HA   MET   1           HA       MET   1  19.182   5.807   3.314
    5   1HB   MET   1          2HB       MET   1  21.023   4.806   4.698
    6   2HB   MET   1          1HB       MET   1  21.522   5.332   3.096
    7   1HG   MET   1          2HG       MET   1  23.209   6.321   4.163
    8   2HG   MET   1          1HG       MET   1  22.022   7.555   4.580
    9   1HE   MET   1          1HE       MET   1  23.648   7.673   7.896
   10   2HE   MET   1          2HE       MET   1  22.090   8.306   7.364
   11   3HE   MET   1          3HE       MET   1  23.474   8.337   6.271
   12    H    GLY   2           H        GLY   2  17.795   5.336   4.906
   13   1HA   GLY   2          2HA       GLY   2  17.415   5.192   7.328
   14   2HA   GLY   2          1HA       GLY   2  18.059   6.822   7.444
   15    H    GLN   3           H        GLN   3  16.060   6.312   4.727
   16    HA   GLN   3           HA       GLN   3  13.725   7.380   6.161
   17   1HB   GLN   3          2HB       GLN   3  15.094   8.461   3.736
   18   2HB   GLN   3          1HB       GLN   3  13.348   8.621   3.867
   19   1HG   GLN   3          2HG       GLN   3  14.564   9.415   6.328
   20   2HG   GLN   3          1HG       GLN   3  15.327  10.266   4.986
   21   1HE2  GLN   3          1HE2      GLN   3  12.557   9.972   6.952
   22   2HE2  GLN   3          2HE2      GLN   3  11.612  11.214   6.211
   23    H    VAL   4           H        VAL   4  11.684   6.932   5.198
   24    HA   VAL   4           HA       VAL   4  11.686   4.879   3.102
   25    HB   VAL   4           HB       VAL   4   9.908   3.635   4.355
   26   1HG1  VAL   4          1HG1      VAL   4  11.754   2.986   6.241
   27   2HG1  VAL   4          2HG1      VAL   4  12.756   3.778   5.024
   28   3HG1  VAL   4          3HG1      VAL   4  11.759   2.389   4.581
   29   1HG2  VAL   4          1HG2      VAL   4   9.518   5.692   5.879
   30   2HG2  VAL   4          2HG2      VAL   4  10.848   5.027   6.828
   31   3HG2  VAL   4          3HG2      VAL   4   9.388   4.072   6.565
   32    H    VAL   5           H        VAL   5   9.858   4.795   1.826
   33    HA   VAL   5           HA       VAL   5   8.151   7.173   1.941
   34    HB   VAL   5           HB       VAL   5   7.510   6.634  -0.349
   35   1HG1  VAL   5          1HG1      VAL   5  10.342   6.932   0.420
   36   2HG1  VAL   5          2HG1      VAL   5   9.326   7.952  -0.598
   37   3HG1  VAL   5          3HG1      VAL   5  10.035   6.477  -1.255
   38   1HG2  VAL   5          1HG2      VAL   5   7.571   4.178  -0.124
   39   2HG2  VAL   5          2HG2      VAL   5   9.334   4.240  -0.116
   40   3HG2  VAL   5          3HG2      VAL   5   8.440   4.745  -1.550
   41    H    GLN   6           H        GLN   6   6.027   7.036   2.412
   42    HA   GLN   6           HA       GLN   6   4.999   4.431   3.155
   43   1HB   GLN   6          2HB       GLN   6   3.465   5.589   4.520
   44   2HB   GLN   6          1HB       GLN   6   5.012   6.373   4.734
   45   1HG   GLN   6          2HG       GLN   6   3.030   7.410   2.769
   46   2HG   GLN   6          1HG       GLN   6   2.910   7.805   4.479
   47   1HE2  GLN   6          1HE2      GLN   6   3.525   9.427   2.041
   48   2HE2  GLN   6          2HE2      GLN   6   4.992  10.253   2.428
   49    H    PHE   7           H        PHE   7   3.044   3.612   2.481
   50    HA   PHE   7           HA       PHE   7   2.002   4.781   0.001
   51   1HB   PHE   7          2HB       PHE   7   2.694   2.590  -0.484
   52   2HB   PHE   7          1HB       PHE   7   2.120   1.966   1.058
   53    HD1  PHE   7           1HD      PHE   7   1.089   3.086  -2.296
   54    HD2  PHE   7           2HD      PHE   7  -0.107   1.220   1.335
   55    HE1  PHE   7           1HE      PHE   7  -1.014   2.375  -3.357
   56    HE2  PHE   7           2HE      PHE   7  -2.206   0.502   0.282
   57    HZ   PHE   7           HZ       PHE   7  -2.665   1.080  -2.066
   58    H    LYS   8           H        LYS   8  -0.203   5.080  -0.283
   59    HA   LYS   8           HA       LYS   8  -1.887   4.826   2.119
   60   1HB   LYS   8          2HB       LYS   8  -2.864   6.976   1.713
   61   2HB   LYS   8          1HB       LYS   8  -1.117   7.177   1.716
   62   1HG   LYS   8          2HG       LYS   8  -2.215   6.657  -0.934
   63   2HG   LYS   8          1HG       LYS   8  -2.827   8.133  -0.186
   64   1HD   LYS   8          2HD       LYS   8   0.105   7.508  -0.209
   65   2HD   LYS   8          1HD       LYS   8  -0.676   8.269  -1.597
   66   1HE   LYS   8          2HE       LYS   8  -0.968   9.365   1.182
   67   2HE   LYS   8          1HE       LYS   8   0.402   9.792   0.157
   68   1HZ   LYS   8          1HZ       LYS   8  -2.382  10.591  -0.042
   69   2HZ   LYS   8          2HZ       LYS   8  -1.621  10.237  -1.510
   70   3HZ   LYS   8          3HZ       LYS   8  -0.980  11.425  -0.493
   71    H    LEU   9           H        LEU   9  -4.053   4.317   1.790
   72    HA   LEU   9           HA       LEU   9  -4.812   2.605  -0.185
   73   1HB   LEU   9          2HB       LEU   9  -6.129   2.998   1.819
   74   2HB   LEU   9          1HB       LEU   9  -6.533   4.609   1.279
   75    HG   LEU   9           HG       LEU   9  -8.385   2.937   1.069
   76   1HD1  LEU   9          1HD1      LEU   9  -7.695   5.006  -0.577
   77   2HD1  LEU   9          2HD1      LEU   9  -9.245   4.168  -0.564
   78   3HD1  LEU   9          3HD1      LEU   9  -7.992   3.688  -1.710
   79   1HD2  LEU   9          1HD2      LEU   9  -6.365   1.454  -0.315
   80   2HD2  LEU   9          2HD2      LEU   9  -7.758   1.732  -1.363
   81   3HD2  LEU   9          3HD2      LEU   9  -7.977   0.956   0.209
   82    H    SER  10           H        SER  10  -4.923   2.791  -2.319
   83    HA   SER  10           HA       SER  10  -5.785   5.366  -3.462
   84   1HB   SER  10          2HB       SER  10  -4.301   4.652  -5.455
   85   2HB   SER  10          1HB       SER  10  -3.504   5.276  -4.010
   86    HG   SER  10           HG       SER  10  -3.497   2.725  -5.085
   87    H    ASP  11           H        ASP  11  -7.786   5.052  -4.186
   88    HA   ASP  11           HA       ASP  11  -8.345   3.379  -6.364
   89   1HB   ASP  11          2HB       ASP  11  -8.203   1.586  -4.669
   90   2HB   ASP  11          1HB       ASP  11  -9.469   2.382  -3.740
   91    H    ILE  12           H        ILE  12  -9.670   4.984  -3.510
   92    HA   ILE  12           HA       ILE  12 -11.790   6.093  -5.228
   93    HB   ILE  12           HB       ILE  12 -13.111   6.231  -2.993
   94   1HG1  ILE  12          2HG1      ILE  12 -11.095   5.375  -1.687
   95   2HG1  ILE  12          1HG1      ILE  12 -12.636   4.596  -1.346
   96   1HG2  ILE  12          1HG2      ILE  12 -13.898   4.968  -4.863
   97   2HG2  ILE  12          2HG2      ILE  12 -14.053   3.962  -3.423
   98   3HG2  ILE  12          3HG2      ILE  12 -12.730   3.685  -4.554
   99   1HD1  ILE  12          1HD1      ILE  12 -11.790   2.618  -1.854
  100   2HD1  ILE  12          2HD1      ILE  12 -10.213   3.382  -2.058
  101   3HD1  ILE  12          3HD1      ILE  12 -11.288   3.191  -3.444
  102    H    GLY  13           H        GLY  13 -12.884   8.012  -3.899
  103   1HA   GLY  13          2HA       GLY  13 -10.696   9.883  -3.396
  104   2HA   GLY  13          1HA       GLY  13 -12.378  10.304  -3.682
  105    H    GLU  14           H        GLU  14 -10.546  11.200  -1.571
  106    HA   GLU  14           HA       GLU  14 -11.120   9.968   0.888
  107   1HB   GLU  14          2HB       GLU  14  -9.266  11.467   0.755
  108   2HB   GLU  14          1HB       GLU  14 -10.286  12.782   0.191
  109   1HG   GLU  14          2HG       GLU  14  -9.506  12.872   2.599
  110   2HG   GLU  14          1HG       GLU  14 -11.226  13.116   2.304
  111    H    GLY  15           H        GLY  15 -13.304   9.531   1.101
  112   1HA   GLY  15          2HA       GLY  15 -14.948  11.072   2.529
  113   2HA   GLY  15          1HA       GLY  15 -15.229  11.706   0.914
  114    H    ILE  16           H        ILE  16 -15.423   9.713  -0.726
  115    HA   ILE  16           HA       ILE  16 -17.901   8.514  -0.173
  116    HB   ILE  16           HB       ILE  16 -17.593   7.263  -2.226
  117   1HG1  ILE  16          2HG1      ILE  16 -14.945   8.282  -2.908
  118   2HG1  ILE  16          1HG1      ILE  16 -14.908   7.217  -1.505
  119   1HG2  ILE  16          1HG2      ILE  16 -18.132   9.172  -3.221
  120   2HG2  ILE  16          2HG2      ILE  16 -16.413   9.517  -3.413
  121   3HG2  ILE  16          3HG2      ILE  16 -17.275  10.099  -1.989
  122   1HD1  ILE  16          1HD1      ILE  16 -14.915   6.474  -4.176
  123   2HD1  ILE  16          2HD1      ILE  16 -16.544   6.113  -3.604
  124   3HD1  ILE  16          3HD1      ILE  16 -15.146   5.426  -2.777
  125    H    ARG  17           H        ARG  17 -17.884   5.929  -0.848
  126    HA   ARG  17           HA       ARG  17 -17.256   4.573   1.485
  127   1HB   ARG  17          2HB       ARG  17 -17.861   3.712  -1.314
  128   2HB   ARG  17          1HB       ARG  17 -17.292   2.510  -0.163
  129   1HG   ARG  17          2HG       ARG  17 -19.440   4.194   0.870
  130   2HG   ARG  17          1HG       ARG  17 -19.893   3.238  -0.542
  131   1HD   ARG  17          2HD       ARG  17 -20.379   1.939   1.402
  132   2HD   ARG  17          1HD       ARG  17 -18.969   1.228   0.619
  133    HE   ARG  17           HE       ARG  17 -17.854   2.874   2.428
  134   1HH1  ARG  17          1HH1      ARG  17 -20.351   0.460   2.673
  135   2HH1  ARG  17          2HH1      ARG  17 -19.988   0.065   4.320
  136   1HH2  ARG  17          1HH2      ARG  17 -17.365   2.362   4.593
  137   2HH2  ARG  17          2HH2      ARG  17 -18.287   1.145   5.412
  138    H    GLU  18           H        GLU  18 -15.633   3.030   1.986
  139    HA   GLU  18           HA       GLU  18 -13.051   3.666   0.757
  140   1HB   GLU  18          2HB       GLU  18 -13.796   2.403   3.393
  141   2HB   GLU  18          1HB       GLU  18 -12.139   2.499   2.809
  142   1HG   GLU  18          2HG       GLU  18 -12.010   4.483   3.785
  143   2HG   GLU  18          1HG       GLU  18 -13.126   5.083   2.557
  144    H    VAL  19           H        VAL  19 -11.451   1.652   0.852
  145    HA   VAL  19           HA       VAL  19 -12.977  -0.637  -0.231
  146    HB   VAL  19           HB       VAL  19 -11.841   0.646  -2.015
  147   1HG1  VAL  19          1HG1      VAL  19  -9.283  -0.334  -0.765
  148   2HG1  VAL  19          2HG1      VAL  19  -9.881   1.321  -0.641
  149   3HG1  VAL  19          3HG1      VAL  19  -9.456   0.652  -2.217
  150   1HG2  VAL  19          1HG2      VAL  19 -10.942  -1.266  -3.158
  151   2HG2  VAL  19          2HG2      VAL  19 -12.327  -1.780  -2.195
  152   3HG2  VAL  19          3HG2      VAL  19 -10.690  -2.112  -1.631
  153    H    THR  20           H        THR  20 -12.191  -2.706   0.042
  154    HA   THR  20           HA       THR  20 -10.427  -3.041   2.359
  155    HB   THR  20           HB       THR  20 -11.712  -5.418   1.161
  156    HG1  THR  20           1HG      THR  20 -13.722  -4.795   1.417
  157   1HG2  THR  20          1HG2      THR  20 -10.457  -5.485   3.280
  158   2HG2  THR  20          2HG2      THR  20 -12.138  -5.973   3.489
  159   3HG2  THR  20          3HG2      THR  20 -11.618  -4.367   3.992
  160    H    VAL  21           H        VAL  21  -8.814  -4.722   2.339
  161    HA   VAL  21           HA       VAL  21  -7.373  -4.780  -0.165
  162    HB   VAL  21           HB       VAL  21  -6.699  -6.196   2.418
  163   1HG1  VAL  21          1HG1      VAL  21  -5.383  -5.941  -0.203
  164   2HG1  VAL  21          2HG1      VAL  21  -5.236  -7.198   1.025
  165   3HG1  VAL  21          3HG1      VAL  21  -4.345  -5.686   1.199
  166   1HG2  VAL  21          1HG2      VAL  21  -6.532  -3.392   1.641
  167   2HG2  VAL  21          2HG2      VAL  21  -4.988  -4.059   2.171
  168   3HG2  VAL  21          3HG2      VAL  21  -6.393  -4.136   3.233
  169    H    LYS  22           H        LYS  22  -7.425  -6.354  -1.645
  170    HA   LYS  22           HA       LYS  22  -9.008  -8.742  -1.070
  171   1HB   LYS  22          2HB       LYS  22  -8.736  -7.066  -3.325
  172   2HB   LYS  22          1HB       LYS  22  -8.054  -8.621  -3.780
  173   1HG   LYS  22          2HG       LYS  22 -10.433  -8.439  -4.338
  174   2HG   LYS  22          1HG       LYS  22 -10.112  -9.741  -3.192
  175   1HD   LYS  22          2HD       LYS  22 -12.127  -8.373  -2.649
  176   2HD   LYS  22          1HD       LYS  22 -10.918  -8.421  -1.365
  177   1HE   LYS  22          2HE       LYS  22 -10.301  -6.226  -1.679
  178   2HE   LYS  22          1HE       LYS  22 -10.824  -6.210  -3.363
  179   1HZ   LYS  22          1HZ       LYS  22 -12.941  -5.719  -2.796
  180   2HZ   LYS  22          2HZ       LYS  22 -12.196  -5.056  -1.429
  181   3HZ   LYS  22          3HZ       LYS  22 -12.894  -6.594  -1.348
  182    H    GLU  23           H        GLU  23  -5.752  -7.735  -1.713
  183    HA   GLU  23           HA       GLU  23  -4.864 -10.494  -1.311
  184   1HB   GLU  23          2HB       GLU  23  -4.812  -9.270  -3.813
  185   2HB   GLU  23          1HB       GLU  23  -3.164  -9.119  -3.221
  186   1HG   GLU  23          2HG       GLU  23  -2.799 -11.193  -3.887
  187   2HG   GLU  23          1HG       GLU  23  -3.924 -11.744  -2.646
  188    H    TRP  24           H        TRP  24  -3.026 -10.719  -0.157
  189    HA   TRP  24           HA       TRP  24  -1.444  -8.339   0.499
  190   1HB   TRP  24          2HB       TRP  24  -3.067  -9.979   2.359
  191   2HB   TRP  24          1HB       TRP  24  -1.441  -9.595   2.908
  192    HD1  TRP  24           HD       TRP  24  -4.803  -8.287   3.099
  193    HE1  TRP  24           1HE      TRP  24  -4.827  -5.786   3.695
  194    HE3  TRP  24           3HE      TRP  24   0.106  -7.196   2.192
  195    HZ2  TRP  24           2HZ      TRP  24  -3.007  -3.635   3.771
  196    HZ3  TRP  24           3HZ      TRP  24   0.885  -4.889   2.550
  197    HH2  TRP  24           HH       TRP  24  -0.643  -3.146   3.322
  198    H    TYR  25           H        TYR  25   0.596  -8.815  -0.068
  199    HA   TYR  25           HA       TYR  25   1.505 -11.593   0.331
  200   1HB   TYR  25          2HB       TYR  25   1.482  -9.994  -2.039
  201   2HB   TYR  25          1HB       TYR  25   3.153 -10.330  -1.600
  202    HD1  TYR  25           1HD      TYR  25   4.111 -12.290  -2.366
  203    HD2  TYR  25           2HD      TYR  25  -0.120 -12.105  -1.951
  204    HE1  TYR  25           1HE      TYR  25   3.922 -14.538  -3.348
  205    HE2  TYR  25           2HE      TYR  25  -0.320 -14.353  -2.931
  206    HH   TYR  25           HH       TYR  25   1.166 -15.794  -4.556
  207    H    VAL  26           H        VAL  26   1.768  -8.871   1.887
  208    HA   VAL  26           HA       VAL  26   4.569  -9.348   2.596
  209    HB   VAL  26           HB       VAL  26   5.061  -6.951   2.711
  210   1HG1  VAL  26          1HG1      VAL  26   4.423  -6.708   0.013
  211   2HG1  VAL  26          2HG1      VAL  26   4.619  -8.436   0.288
  212   3HG1  VAL  26          3HG1      VAL  26   5.920  -7.325   0.706
  213   1HG2  VAL  26          1HG2      VAL  26   2.804  -6.091   1.075
  214   2HG2  VAL  26          2HG2      VAL  26   3.530  -5.331   2.488
  215   3HG2  VAL  26          3HG2      VAL  26   2.341  -6.616   2.690
  216    H    LYS  27           H        LYS  27   5.149  -8.323   4.686
  217    HA   LYS  27           HA       LYS  27   2.876  -7.707   6.416
  218   1HB   LYS  27          2HB       LYS  27   4.463 -10.160   6.516
  219   2HB   LYS  27          1HB       LYS  27   4.417  -9.305   8.052
  220   1HG   LYS  27          2HG       LYS  27   1.888  -9.228   7.740
  221   2HG   LYS  27          1HG       LYS  27   2.133 -10.430   6.472
  222   1HD   LYS  27          2HD       LYS  27   2.971 -12.016   7.986
  223   2HD   LYS  27          1HD       LYS  27   3.244 -10.801   9.237
  224   1HE   LYS  27          2HE       LYS  27   0.958 -10.626   9.721
  225   2HE   LYS  27          1HE       LYS  27   0.489 -11.406   8.211
  226   1HZ   LYS  27          1HZ       LYS  27   2.101 -13.173   9.675
  227   2HZ   LYS  27          2HZ       LYS  27   0.472 -13.343   9.252
  228   3HZ   LYS  27          3HZ       LYS  27   0.893 -12.588  10.706
  229    H    GLU  28           H        GLU  28   3.608  -6.932   8.585
  230    HA   GLU  28           HA       GLU  28   5.307  -4.764   8.380
  231   1HB   GLU  28          2HB       GLU  28   4.979  -6.249  10.978
  232   2HB   GLU  28          1HB       GLU  28   5.117  -4.518  10.717
  233   1HG   GLU  28          2HG       GLU  28   2.915  -4.462  10.953
  234   2HG   GLU  28          1HG       GLU  28   2.836  -5.156   9.333
  235    H    GLY  29           H        GLY  29   7.469  -4.414   8.611
  236   1HA   GLY  29          2HA       GLY  29   9.705  -4.869   8.976
  237   2HA   GLY  29          1HA       GLY  29   9.217  -6.304   9.864
  238    H    ASP  30           H        ASP  30   7.740  -6.399   6.884
  239    HA   ASP  30           HA       ASP  30   9.729  -8.313   5.916
  240   1HB   ASP  30          2HB       ASP  30   7.168  -8.770   6.192
  241   2HB   ASP  30          1HB       ASP  30   7.039  -7.915   4.658
  242    H    THR  31           H        THR  31  10.361  -8.350   3.697
  243    HA   THR  31           HA       THR  31  10.463  -5.661   2.541
  244    HB   THR  31           HB       THR  31  12.103  -7.977   1.562
  245    HG1  THR  31           1HG      THR  31  13.243  -7.924   3.340
  246   1HG2  THR  31          1HG2      THR  31  12.702  -5.024   1.700
  247   2HG2  THR  31          2HG2      THR  31  11.966  -5.812   0.304
  248   3HG2  THR  31          3HG2      THR  31  13.596  -6.260   0.813
  249    H    VAL  32           H        VAL  32   9.932  -5.248   0.434
  250    HA   VAL  32           HA       VAL  32   8.217  -7.237  -0.859
  251    HB   VAL  32           HB       VAL  32   7.914  -4.782  -2.205
  252   1HG1  VAL  32          1HG1      VAL  32   5.899  -5.438  -0.193
  253   2HG1  VAL  32          2HG1      VAL  32   6.361  -6.780  -1.238
  254   3HG1  VAL  32          3HG1      VAL  32   5.753  -5.283  -1.943
  255   1HG2  VAL  32          1HG2      VAL  32   7.028  -3.408  -0.214
  256   2HG2  VAL  32          2HG2      VAL  32   8.762  -3.395  -0.535
  257   3HG2  VAL  32          3HG2      VAL  32   8.112  -4.397   0.762
  258    H    SER  33           H        SER  33   8.180  -7.018  -3.322
  259    HA   SER  33           HA       SER  33  10.839  -6.408  -4.400
  260   1HB   SER  33          2HB       SER  33   9.570  -8.847  -5.490
  261   2HB   SER  33          1HB       SER  33  11.268  -8.512  -5.152
  262    HG   SER  33           HG       SER  33  10.481 -10.081  -3.730
  263    H    GLN  34           H        GLN  34  10.859  -6.306  -6.787
  264    HA   GLN  34           HA       GLN  34   8.968  -4.588  -7.812
  265   1HB   GLN  34          2HB       GLN  34  11.115  -4.873  -8.880
  266   2HB   GLN  34          1HB       GLN  34  10.742  -6.545  -9.274
  267   1HG   GLN  34          2HG       GLN  34   8.795  -5.596 -10.632
  268   2HG   GLN  34          1HG       GLN  34   9.613  -4.042 -10.469
  269   1HE2  GLN  34          1HE2      GLN  34  10.299  -7.405 -11.369
  270   2HE2  GLN  34          2HE2      GLN  34  11.363  -7.019 -12.675
  271    H    PHE  35           H        PHE  35   9.032  -8.106  -7.954
  272    HA   PHE  35           HA       PHE  35   6.517  -8.134  -9.433
  273   1HB   PHE  35          2HB       PHE  35   6.920 -10.683  -9.270
  274   2HB   PHE  35          1HB       PHE  35   7.973  -9.732 -10.311
  275    HD1  PHE  35           1HD      PHE  35   7.750 -11.261  -6.941
  276    HD2  PHE  35           2HD      PHE  35  10.282  -9.757 -10.013
  277    HE1  PHE  35           1HE      PHE  35   9.716 -12.129  -5.741
  278    HE2  PHE  35           2HE      PHE  35  12.252 -10.623  -8.821
  279    HZ   PHE  35           HZ       PHE  35  11.970 -11.812  -6.682
  280    H    ASP  36           H        ASP  36   7.660  -8.368  -6.211
  281    HA   ASP  36           HA       ASP  36   5.281  -9.772  -5.281
  282   1HB   ASP  36          2HB       ASP  36   7.956  -9.279  -4.239
  283   2HB   ASP  36          1HB       ASP  36   6.708  -8.946  -3.042
  284    H    SER  37           H        SER  37   3.680  -8.238  -5.740
  285    HA   SER  37           HA       SER  37   3.751  -5.532  -5.041
  286   1HB   SER  37          2HB       SER  37   1.083  -6.686  -4.826
  287   2HB   SER  37          1HB       SER  37   1.707  -5.507  -5.980
  288    HG   SER  37           HG       SER  37   1.134  -8.028  -6.430
  289    H    ILE  38           H        ILE  38   2.517  -4.430  -3.348
  290    HA   ILE  38           HA       ILE  38   3.000  -5.666  -0.778
  291    HB   ILE  38           HB       ILE  38   1.854  -2.944  -1.407
  292   1HG1  ILE  38          2HG1      ILE  38   4.648  -3.979  -1.017
  293   2HG1  ILE  38          1HG1      ILE  38   4.035  -2.914  -2.272
  294   1HG2  ILE  38          1HG2      ILE  38   1.283  -3.823   0.839
  295   2HG2  ILE  38          2HG2      ILE  38   2.319  -2.398   0.901
  296   3HG2  ILE  38          3HG2      ILE  38   3.004  -3.999   1.177
  297   1HD1  ILE  38          1HD1      ILE  38   5.555  -1.828  -0.642
  298   2HD1  ILE  38          2HD1      ILE  38   4.350  -2.121   0.612
  299   3HD1  ILE  38          3HD1      ILE  38   3.964  -1.071  -0.753
  300    H    CYS  39           H        CYS  39   0.162  -3.855  -1.964
  301    HA   CYS  39           HA       CYS  39  -1.570  -6.009  -1.002
  302   1HB   CYS  39          2HB       CYS  39  -3.085  -4.177  -0.025
  303   2HB   CYS  39          1HB       CYS  39  -1.651  -4.628   0.888
  304    HG   CYS  39           HG       CYS  39  -1.467  -1.987  -1.239
  305    H    GLU  40           H        GLU  40  -3.494  -6.228  -2.090
  306    HA   GLU  40           HA       GLU  40  -3.906  -4.399  -4.365
  307   1HB   GLU  40          2HB       GLU  40  -4.144  -7.388  -4.175
  308   2HB   GLU  40          1HB       GLU  40  -5.050  -6.495  -5.389
  309   1HG   GLU  40          2HG       GLU  40  -3.114  -5.786  -6.483
  310   2HG   GLU  40          1HG       GLU  40  -2.086  -6.174  -5.104
  311    H    VAL  41           H        VAL  41  -5.786  -3.348  -4.368
  312    HA   VAL  41           HA       VAL  41  -7.978  -4.423  -2.714
  313    HB   VAL  41           HB       VAL  41  -8.734  -2.117  -2.368
  314   1HG1  VAL  41          1HG1      VAL  41  -7.482  -2.076  -0.533
  315   2HG1  VAL  41          2HG1      VAL  41  -6.050  -1.642  -1.467
  316   3HG1  VAL  41          3HG1      VAL  41  -6.474  -3.338  -1.241
  317   1HG2  VAL  41          1HG2      VAL  41  -6.204  -1.295  -3.791
  318   2HG2  VAL  41          2HG2      VAL  41  -7.402  -0.224  -3.064
  319   3HG2  VAL  41          3HG2      VAL  41  -7.826  -1.194  -4.475
  320    H    GLN  42           H        GLN  42 -10.047  -4.412  -3.529
  321    HA   GLN  42           HA       GLN  42 -10.466  -3.351  -6.224
  322   1HB   GLN  42          2HB       GLN  42 -10.919  -6.211  -5.377
  323   2HB   GLN  42          1HB       GLN  42 -11.697  -5.507  -6.788
  324   1HG   GLN  42          2HG       GLN  42  -9.329  -4.904  -7.553
  325   2HG   GLN  42          1HG       GLN  42  -8.790  -6.048  -6.324
  326   1HE2  GLN  42          1HE2      GLN  42  -7.949  -6.828  -8.568
  327   2HE2  GLN  42          2HE2      GLN  42  -8.922  -8.041  -9.320
  328    H    SER  43           H        SER  43 -12.322  -2.279  -6.370
  329    HA   SER  43           HA       SER  43 -14.498  -2.944  -4.506
  330   1HB   SER  43          2HB       SER  43 -14.886  -0.674  -3.972
  331   2HB   SER  43          1HB       SER  43 -13.136  -0.864  -3.867
  332    HG   SER  43           HG       SER  43 -14.010   1.014  -5.085
  333    H    ASP  44           H        ASP  44 -16.628  -2.369  -5.239
  334    HA   ASP  44           HA       ASP  44 -17.356  -3.151  -7.719
  335   1HB   ASP  44          2HB       ASP  44 -19.362  -1.518  -7.416
  336   2HB   ASP  44          1HB       ASP  44 -19.135  -2.823  -6.256
  337    H    LYS  45           H        LYS  45 -16.116  -0.003  -6.859
  338    HA   LYS  45           HA       LYS  45 -16.808   1.379  -9.218
  339   1HB   LYS  45          2HB       LYS  45 -16.144   2.702  -7.381
  340   2HB   LYS  45          1HB       LYS  45 -14.681   1.765  -7.123
  341   1HG   LYS  45          2HG       LYS  45 -14.675   2.974  -9.739
  342   2HG   LYS  45          1HG       LYS  45 -14.922   4.183  -8.477
  343   1HD   LYS  45          2HD       LYS  45 -12.949   2.723  -7.360
  344   2HD   LYS  45          1HD       LYS  45 -12.566   2.508  -9.068
  345   1HE   LYS  45          2HE       LYS  45 -12.638   5.015  -7.442
  346   2HE   LYS  45          1HE       LYS  45 -11.368   4.411  -8.505
  347   1HZ   LYS  45          1HZ       LYS  45 -12.242   6.010  -9.831
  348   2HZ   LYS  45          2HZ       LYS  45 -13.793   5.900  -9.165
  349   3HZ   LYS  45          3HZ       LYS  45 -13.269   4.743 -10.283
  350    H    ALA  46           H        ALA  46 -13.496   0.448  -8.319
  351    HA   ALA  46           HA       ALA  46 -13.095  -0.814 -10.905
  352   1HB   ALA  46          1HB       ALA  46 -11.063   1.237 -10.195
  353   2HB   ALA  46          2HB       ALA  46 -12.578   1.776 -10.919
  354   3HB   ALA  46          3HB       ALA  46 -11.551   0.626 -11.776
  355    H    SER  47           H        SER  47 -10.988  -1.903 -11.047
  356    HA   SER  47           HA       SER  47 -10.185  -2.888  -8.406
  357   1HB   SER  47          2HB       SER  47  -9.608  -4.050 -11.142
  358   2HB   SER  47          1HB       SER  47  -9.260  -4.813  -9.591
  359    HG   SER  47           HG       SER  47 -11.459  -4.973  -9.208
  360    H    VAL  48           H        VAL  48  -8.311  -2.284  -7.546
  361    HA   VAL  48           HA       VAL  48  -6.205  -1.283  -9.347
  362    HB   VAL  48           HB       VAL  48  -6.632  -0.213  -6.569
  363   1HG1  VAL  48          1HG1      VAL  48  -5.524   1.701  -8.283
  364   2HG1  VAL  48          2HG1      VAL  48  -4.703   0.186  -8.662
  365   3HG1  VAL  48          3HG1      VAL  48  -4.704   0.798  -7.008
  366   1HG2  VAL  48          1HG2      VAL  48  -7.920   1.586  -7.402
  367   2HG2  VAL  48          2HG2      VAL  48  -8.655   0.120  -8.049
  368   3HG2  VAL  48          3HG2      VAL  48  -7.626   1.117  -9.077
  369    H    THR  49           H        THR  49  -4.215  -2.052  -9.059
  370    HA   THR  49           HA       THR  49  -3.715  -3.780  -6.723
  371    HB   THR  49           HB       THR  49  -2.166  -5.071  -8.081
  372    HG1  THR  49           1HG      THR  49  -1.374  -4.192  -9.827
  373   1HG2  THR  49          1HG2      THR  49  -4.158  -6.146  -8.327
  374   2HG2  THR  49          2HG2      THR  49  -3.925  -5.661 -10.007
  375   3HG2  THR  49          3HG2      THR  49  -4.976  -4.714  -8.954
  376    H    ILE  50           H        ILE  50  -2.006  -3.285  -5.449
  377    HA   ILE  50           HA       ILE  50  -0.408  -0.960  -6.236
  378    HB   ILE  50           HB       ILE  50  -0.495  -2.247  -3.515
  379   1HG1  ILE  50          2HG1      ILE  50  -2.759  -1.525  -4.271
  380   2HG1  ILE  50          1HG1      ILE  50  -2.168  -0.615  -2.885
  381   1HG2  ILE  50          1HG2      ILE  50   0.664  -0.436  -2.734
  382   2HG2  ILE  50          2HG2      ILE  50   0.088   0.625  -4.022
  383   3HG2  ILE  50          3HG2      ILE  50   1.341  -0.570  -4.357
  384   1HD1  ILE  50          1HD1      ILE  50  -1.367   0.758  -5.227
  385   2HD1  ILE  50          2HD1      ILE  50  -2.516   1.267  -3.990
  386   3HD1  ILE  50          3HD1      ILE  50  -3.075   0.349  -5.388
  387    H    THR  51           H        THR  51   1.367  -1.484  -7.310
  388    HA   THR  51           HA       THR  51   2.900  -3.855  -6.551
  389    HB   THR  51           HB       THR  51   4.275  -2.593  -8.614
  390    HG1  THR  51           1HG      THR  51   2.505  -2.275 -10.151
  391   1HG2  THR  51          1HG2      THR  51   4.161  -4.732  -9.230
  392   2HG2  THR  51          2HG2      THR  51   2.520  -4.437  -9.804
  393   3HG2  THR  51          3HG2      THR  51   2.789  -5.012  -8.158
  394    H    SER  52           H        SER  52   5.432  -3.323  -6.906
  395    HA   SER  52           HA       SER  52   5.982  -0.995  -5.185
  396   1HB   SER  52          2HB       SER  52   6.360  -3.244  -4.126
  397   2HB   SER  52          1HB       SER  52   7.622  -3.531  -5.325
  398    HG   SER  52           HG       SER  52   7.595  -1.815  -3.134
  399    H    ARG  53           H        ARG  53   6.891  -2.775  -8.042
  400    HA   ARG  53           HA       ARG  53   8.252  -2.298  -9.796
  401   1HB   ARG  53          2HB       ARG  53   8.868   0.482  -9.172
  402   2HB   ARG  53          1HB       ARG  53   8.091  -0.202 -10.587
  403   1HG   ARG  53          2HG       ARG  53   6.802   0.664  -8.010
  404   2HG   ARG  53          1HG       ARG  53   6.576   1.331  -9.624
  405   1HD   ARG  53          2HD       ARG  53   5.961  -1.430  -9.753
  406   2HD   ARG  53          1HD       ARG  53   5.134  -0.765  -8.345
  407    HE   ARG  53           HE       ARG  53   4.411  -0.374 -11.034
  408   1HH1  ARG  53          1HH1      ARG  53   4.730   1.385  -8.045
  409   2HH1  ARG  53          2HH1      ARG  53   3.513   2.549  -8.449
  410   1HH2  ARG  53          1HH2      ARG  53   2.809   1.156 -11.578
  411   2HH2  ARG  53          2HH2      ARG  53   2.422   2.420 -10.459
  412    H    TYR  54           H        TYR  54   9.304  -2.645  -6.850
  413    HA   TYR  54           HA       TYR  54  12.010  -2.914  -7.468
  414   1HB   TYR  54          2HB       TYR  54  11.183  -0.263  -6.537
  415   2HB   TYR  54          1HB       TYR  54  12.421  -0.988  -5.517
  416    HD1  TYR  54           1HD      TYR  54  14.436  -2.071  -6.877
  417    HD2  TYR  54           2HD      TYR  54  11.875   0.993  -8.344
  418    HE1  TYR  54           1HE      TYR  54  16.164  -1.411  -8.497
  419    HE2  TYR  54           2HE      TYR  54  13.595   1.661  -9.969
  420    HH   TYR  54           HH       TYR  54  15.528   0.809 -11.060
  421    H    ASP  55           H        ASP  55  13.286  -3.222  -5.278
  422    HA   ASP  55           HA       ASP  55  11.482  -4.747  -3.554
  423   1HB   ASP  55          2HB       ASP  55  14.495  -4.741  -3.380
  424   2HB   ASP  55          1HB       ASP  55  13.372  -5.962  -2.788
  425    H    GLY  56           H        GLY  56  10.762  -3.816  -1.760
  426   1HA   GLY  56          2HA       GLY  56  12.497  -1.804  -0.476
  427   2HA   GLY  56          1HA       GLY  56  10.780  -1.529  -0.701
  428    H    VAL  57           H        VAL  57  11.930  -1.271   1.758
  429    HA   VAL  57           HA       VAL  57  11.283  -3.745   3.200
  430    HB   VAL  57           HB       VAL  57  12.564  -1.244   4.295
  431   1HG1  VAL  57          1HG1      VAL  57  11.507  -3.578   5.529
  432   2HG1  VAL  57          2HG1      VAL  57  12.325  -2.206   6.279
  433   3HG1  VAL  57          3HG1      VAL  57  13.261  -3.591   5.716
  434   1HG2  VAL  57          1HG2      VAL  57  13.986  -3.795   3.587
  435   2HG2  VAL  57          2HG2      VAL  57  14.680  -2.222   3.980
  436   3HG2  VAL  57          3HG2      VAL  57  13.835  -2.456   2.450
  437    H    ILE  58           H        ILE  58   9.357  -3.978   4.070
  438    HA   ILE  58           HA       ILE  58   7.718  -1.617   4.686
  439    HB   ILE  58           HB       ILE  58   6.834  -4.504   4.626
  440   1HG1  ILE  58          2HG1      ILE  58   6.331  -2.534   2.417
  441   2HG1  ILE  58          1HG1      ILE  58   7.819  -3.476   2.446
  442   1HG2  ILE  58          1HG2      ILE  58   4.642  -3.130   4.022
  443   2HG2  ILE  58          2HG2      ILE  58   5.474  -1.896   4.972
  444   3HG2  ILE  58          3HG2      ILE  58   5.117  -3.467   5.689
  445   1HD1  ILE  58          1HD1      ILE  58   6.778  -5.341   1.784
  446   2HD1  ILE  58          2HD1      ILE  58   5.492  -4.246   1.276
  447   3HD1  ILE  58          3HD1      ILE  58   5.398  -5.054   2.839
  448    H    LYS  59           H        LYS  59   7.544  -0.981   6.743
  449    HA   LYS  59           HA       LYS  59   8.502  -2.798   8.824
  450   1HB   LYS  59          2HB       LYS  59   9.151  -0.236   8.350
  451   2HB   LYS  59          1HB       LYS  59   7.855  -0.003   9.516
  452   1HG   LYS  59          2HG       LYS  59   8.999  -1.244  11.174
  453   2HG   LYS  59          1HG       LYS  59  10.179  -1.844  10.007
  454   1HD   LYS  59          2HD       LYS  59  11.175   0.298   9.781
  455   2HD   LYS  59          1HD       LYS  59   9.851   1.078  10.647
  456   1HE   LYS  59          2HE       LYS  59  10.977   0.838  12.544
  457   2HE   LYS  59          1HE       LYS  59  10.891  -0.913  12.354
  458   1HZ   LYS  59          1HZ       LYS  59  13.030  -1.016  11.792
  459   2HZ   LYS  59          2HZ       LYS  59  13.166   0.562  12.385
  460   3HZ   LYS  59          3HZ       LYS  59  12.925   0.298  10.731
  461    H    LYS  60           H        LYS  60   5.602  -0.793   8.159
  462    HA   LYS  60           HA       LYS  60   4.250  -2.419  10.205
  463   1HB   LYS  60          2HB       LYS  60   3.287   0.348  10.089
  464   2HB   LYS  60          1HB       LYS  60   3.574  -0.690  11.475
  465   1HG   LYS  60          2HG       LYS  60   5.136   0.931  11.840
  466   2HG   LYS  60          1HG       LYS  60   6.096  -0.214  10.899
  467   1HD   LYS  60          2HD       LYS  60   5.502   1.091   8.849
  468   2HD   LYS  60          1HD       LYS  60   4.739   2.287   9.901
  469   1HE   LYS  60          2HE       LYS  60   7.470   1.569  10.679
  470   2HE   LYS  60          1HE       LYS  60   7.349   2.336   9.098
  471   1HZ   LYS  60          1HZ       LYS  60   7.218   4.264  10.152
  472   2HZ   LYS  60          2HZ       LYS  60   7.141   3.510  11.663
  473   3HZ   LYS  60          3HZ       LYS  60   5.723   3.795  10.788
  474    H    LEU  61           H        LEU  61   2.266  -3.086   9.776
  475    HA   LEU  61           HA       LEU  61   0.756  -1.889   7.570
  476   1HB   LEU  61          2HB       LEU  61   1.481  -4.793   7.898
  477   2HB   LEU  61          1HB       LEU  61   0.074  -4.297   6.976
  478    HG   LEU  61           HG       LEU  61   2.775  -3.174   6.317
  479   1HD1  LEU  61          1HD1      LEU  61   2.663  -5.780   6.434
  480   2HD1  LEU  61          2HD1      LEU  61   3.406  -4.981   5.050
  481   3HD1  LEU  61          3HD1      LEU  61   1.763  -5.608   4.927
  482   1HD2  LEU  61          1HD2      LEU  61   0.100  -3.119   5.210
  483   2HD2  LEU  61          2HD2      LEU  61   1.296  -3.652   4.029
  484   3HD2  LEU  61          3HD2      LEU  61   1.494  -2.103   4.847
  485    H    TYR  62           H        TYR  62  -1.299  -1.491   8.174
  486    HA   TYR  62           HA       TYR  62  -2.245  -2.759  10.651
  487   1HB   TYR  62          2HB       TYR  62  -2.032  -0.097  10.008
  488   2HB   TYR  62          1HB       TYR  62  -3.734  -0.425   9.703
  489    HD1  TYR  62           1HD      TYR  62  -4.364  -2.392  11.794
  490    HD2  TYR  62           2HD      TYR  62  -1.979   1.126  11.981
  491    HE1  TYR  62           1HE      TYR  62  -4.825  -2.214  14.202
  492    HE2  TYR  62           2HE      TYR  62  -2.432   1.312  14.390
  493    HH   TYR  62           HH       TYR  62  -3.231   0.189  16.210
  494    H    TYR  63           H        TYR  63  -3.227  -1.994   7.342
  495    HA   TYR  63           HA       TYR  63  -5.826  -3.223   7.777
  496   1HB   TYR  63          2HB       TYR  63  -4.651  -1.984   5.284
  497   2HB   TYR  63          1HB       TYR  63  -6.320  -2.514   5.480
  498    HD1  TYR  63           1HD      TYR  63  -4.906   0.337   4.958
  499    HD2  TYR  63           2HD      TYR  63  -6.821  -1.544   8.257
  500    HE1  TYR  63           1HE      TYR  63  -5.495   2.545   5.869
  501    HE2  TYR  63           2HE      TYR  63  -7.415   0.655   9.177
  502    HH   TYR  63           HH       TYR  63  -6.841   2.919   9.052
  503    H    ASN  64           H        ASN  64  -6.519  -5.129   7.000
  504    HA   ASN  64           HA       ASN  64  -4.556  -6.799   5.576
  505   1HB   ASN  64          2HB       ASN  64  -6.689  -7.680   7.529
  506   2HB   ASN  64          1HB       ASN  64  -5.566  -8.746   6.682
  507   1HD2  ASN  64          1HD2      ASN  64  -4.212  -9.506   8.139
  508   2HD2  ASN  64          2HD2      ASN  64  -3.358  -8.575   9.318
  509    H    LEU  65           H        LEU  65  -5.984  -8.887   4.844
  510    HA   LEU  65           HA       LEU  65  -7.263  -8.186   2.521
  511   1HB   LEU  65          2HB       LEU  65  -7.202 -10.624   4.230
  512   2HB   LEU  65          1HB       LEU  65  -8.306 -10.574   2.877
  513    HG   LEU  65           HG       LEU  65  -5.587  -9.783   2.167
  514   1HD1  LEU  65          1HD1      LEU  65  -4.883 -11.363   3.791
  515   2HD1  LEU  65          2HD1      LEU  65  -4.764 -12.151   2.218
  516   3HD1  LEU  65          3HD1      LEU  65  -6.114 -12.522   3.290
  517   1HD2  LEU  65          1HD2      LEU  65  -5.989 -11.211   0.288
  518   2HD2  LEU  65          2HD2      LEU  65  -7.450 -10.270   0.588
  519   3HD2  LEU  65          3HD2      LEU  65  -7.370 -11.960   1.090
  520    H    ASP  66           H        ASP  66  -8.563  -8.163   5.728
  521    HA   ASP  66           HA       ASP  66 -11.297  -8.064   4.653
  522   1HB   ASP  66          2HB       ASP  66 -10.174  -8.822   7.321
  523   2HB   ASP  66          1HB       ASP  66 -11.845  -8.279   7.199
  524    H    ASP  67           H        ASP  67  -8.922  -6.146   6.337
  525    HA   ASP  67           HA       ASP  67 -10.797  -4.199   7.279
  526   1HB   ASP  67          2HB       ASP  67  -7.843  -3.733   6.939
  527   2HB   ASP  67          1HB       ASP  67  -8.941  -2.989   8.096
  528    H    ILE  68           H        ILE  68 -10.981  -2.033   6.633
  529    HA   ILE  68           HA       ILE  68 -10.587  -1.617   3.743
  530    HB   ILE  68           HB       ILE  68 -12.300   0.218   5.338
  531   1HG1  ILE  68          2HG1      ILE  68 -12.918  -2.130   6.046
  532   2HG1  ILE  68          1HG1      ILE  68 -14.218  -1.209   5.294
  533   1HG2  ILE  68          1HG2      ILE  68 -13.432   0.520   3.306
  534   2HG2  ILE  68          2HG2      ILE  68 -12.808  -0.982   2.635
  535   3HG2  ILE  68          3HG2      ILE  68 -11.729   0.398   2.860
  536   1HD1  ILE  68          1HD1      ILE  68 -14.363  -2.605   3.550
  537   2HD1  ILE  68          2HD1      ILE  68 -13.545  -3.737   4.630
  538   3HD1  ILE  68          3HD1      ILE  68 -12.616  -2.813   3.448
  539    H    ALA  69           H        ALA  69  -9.625   0.196   2.974
  540    HA   ALA  69           HA       ALA  69  -8.281   1.878   4.979
  541   1HB   ALA  69          1HB       ALA  69  -7.306   1.417   2.173
  542   2HB   ALA  69          2HB       ALA  69  -6.848   0.377   3.522
  543   3HB   ALA  69          3HB       ALA  69  -6.423   2.089   3.544
  544    H    TYR  70           H        TYR  70  -7.961   4.101   4.429
  545    HA   TYR  70           HA       TYR  70 -10.031   5.149   2.613
  546   1HB   TYR  70          2HB       TYR  70  -8.870   6.891   4.729
  547   2HB   TYR  70          1HB       TYR  70 -10.504   6.851   4.082
  548    HD1  TYR  70           1HD      TYR  70  -8.177   4.841   6.197
  549    HD2  TYR  70           2HD      TYR  70 -12.203   5.935   5.370
  550    HE1  TYR  70           1HE      TYR  70  -8.917   3.586   8.176
  551    HE2  TYR  70           2HE      TYR  70 -12.954   4.687   7.352
  552    HH   TYR  70           HH       TYR  70 -11.785   3.965   9.628
  553    H    VAL  71           H        VAL  71  -9.504   6.758   1.175
  554    HA   VAL  71           HA       VAL  71  -6.697   6.991   0.522
  555    HB   VAL  71           HB       VAL  71  -8.282   6.699  -1.294
  556   1HG1  VAL  71          1HG1      VAL  71  -9.720   8.773   0.128
  557   2HG1  VAL  71          2HG1      VAL  71 -10.299   7.603  -1.059
  558   3HG1  VAL  71          3HG1      VAL  71  -9.576   9.120  -1.595
  559   1HG2  VAL  71          1HG2      VAL  71  -6.231   8.000  -1.703
  560   2HG2  VAL  71          2HG2      VAL  71  -7.120   9.482  -1.350
  561   3HG2  VAL  71          3HG2      VAL  71  -7.563   8.499  -2.746
  562    H    GLY  72           H        GLY  72  -5.416   8.747   0.775
  563   1HA   GLY  72          2HA       GLY  72  -5.331  11.229   0.885
  564   2HA   GLY  72          1HA       GLY  72  -6.648  11.115   2.042
  565    H    LYS  73           H        LYS  73  -5.198   8.610   3.105
  566    HA   LYS  73           HA       LYS  73  -3.000   9.955   4.500
  567   1HB   LYS  73          2HB       LYS  73  -5.270   9.869   5.780
  568   2HB   LYS  73          1HB       LYS  73  -4.869   8.175   6.022
  569   1HG   LYS  73          2HG       LYS  73  -3.977   9.060   7.916
  570   2HG   LYS  73          1HG       LYS  73  -2.581   9.186   6.844
  571   1HD   LYS  73          2HD       LYS  73  -3.014  11.497   6.432
  572   2HD   LYS  73          1HD       LYS  73  -4.574  11.408   7.252
  573   1HE   LYS  73          2HE       LYS  73  -2.572  10.491   9.046
  574   2HE   LYS  73          1HE       LYS  73  -2.025  12.015   8.347
  575   1HZ   LYS  73          1HZ       LYS  73  -3.286  12.891   9.962
  576   2HZ   LYS  73          2HZ       LYS  73  -4.222  11.496  10.160
  577   3HZ   LYS  73          3HZ       LYS  73  -4.574  12.580   8.910
  578    HA   PRO  74           HA       PRO  74  -0.944   6.158   3.338
  579   1HB   PRO  74          2HB       PRO  74   0.979   6.889   5.459
  580   2HB   PRO  74          1HB       PRO  74   1.257   6.612   3.738
  581   1HG   PRO  74          2HG       PRO  74   1.340   9.074   4.781
  582   2HG   PRO  74          1HG       PRO  74   0.685   8.775   3.160
  583   1HD   PRO  74          2HD       PRO  74  -0.766   9.272   5.730
  584   2HD   PRO  74          1HD       PRO  74  -1.131   9.858   4.093
  585    H    LEU  75           H        LEU  75  -0.557   4.103   4.191
  586    HA   LEU  75           HA       LEU  75  -1.559   3.699   6.931
  587   1HB   LEU  75          2HB       LEU  75  -2.506   1.593   6.234
  588   2HB   LEU  75          1HB       LEU  75  -3.128   2.888   5.230
  589    HG   LEU  75           HG       LEU  75  -0.836   1.838   3.925
  590   1HD1  LEU  75          1HD1      LEU  75  -2.373  -0.473   3.702
  591   2HD1  LEU  75          2HD1      LEU  75  -2.251  -0.171   5.435
  592   3HD1  LEU  75          3HD1      LEU  75  -0.789  -0.315   4.459
  593   1HD2  LEU  75          1HD2      LEU  75  -2.446   2.775   2.573
  594   2HD2  LEU  75          2HD2      LEU  75  -3.775   1.979   3.417
  595   3HD2  LEU  75          3HD2      LEU  75  -2.740   1.054   2.329
  596    H    VAL  76           H        VAL  76   0.923   2.942   4.597
  597    HA   VAL  76           HA       VAL  76   2.383   1.549   6.729
  598    HB   VAL  76           HB       VAL  76   1.444  -0.251   5.437
  599   1HG1  VAL  76          1HG1      VAL  76   1.975  -0.478   3.012
  600   2HG1  VAL  76          2HG1      VAL  76   2.606   1.168   3.046
  601   3HG1  VAL  76          3HG1      VAL  76   0.902   0.869   3.392
  602   1HG2  VAL  76          1HG2      VAL  76   4.162  -0.292   4.283
  603   2HG2  VAL  76          2HG2      VAL  76   3.342  -1.476   5.301
  604   3HG2  VAL  76          3HG2      VAL  76   4.065  -0.039   6.027
  605    H    ASP  77           H        ASP  77   4.597   1.711   6.673
  606    HA   ASP  77           HA       ASP  77   5.675   3.714   4.819
  607   1HB   ASP  77          2HB       ASP  77   7.170   2.654   7.195
  608   2HB   ASP  77          1HB       ASP  77   7.340   4.205   6.388
  609    H    ILE  78           H        ILE  78   7.054   3.115   3.272
  610    HA   ILE  78           HA       ILE  78   8.380   0.500   3.489
  611    HB   ILE  78           HB       ILE  78   7.415   1.278   0.797
  612   1HG1  ILE  78          2HG1      ILE  78   5.212   0.038   1.344
  613   2HG1  ILE  78          1HG1      ILE  78   5.584   0.403   3.028
  614   1HG2  ILE  78          1HG2      ILE  78   8.589  -0.708   0.795
  615   2HG2  ILE  78          2HG2      ILE  78   6.918  -1.267   0.877
  616   3HG2  ILE  78          3HG2      ILE  78   7.909  -1.233   2.336
  617   1HD1  ILE  78          1HD1      ILE  78   5.667   2.665   1.134
  618   2HD1  ILE  78          2HD1      ILE  78   5.108   2.587   2.804
  619   3HD1  ILE  78          3HD1      ILE  78   4.086   1.980   1.505
  620    H    GLU  79           H        GLU  79  10.403   0.362   2.517
  621    HA   GLU  79           HA       GLU  79  11.511   2.943   1.678
  622   1HB   GLU  79          2HB       GLU  79  12.489   0.897   3.325
  623   2HB   GLU  79          1HB       GLU  79  13.437   0.786   1.848
  624   1HG   GLU  79          2HG       GLU  79  14.378   2.855   2.129
  625   2HG   GLU  79          1HG       GLU  79  13.040   3.447   3.112
  626    H    THR  80           H        THR  80  11.541   3.325  -0.419
  627    HA   THR  80           HA       THR  80  12.315   1.183  -2.264
  628    HB   THR  80           HB       THR  80  10.544   2.365  -3.857
  629    HG1  THR  80           1HG      THR  80   9.253   2.547  -1.329
  630   1HG2  THR  80          1HG2      THR  80  10.714  -0.073  -2.756
  631   2HG2  THR  80          2HG2      THR  80   9.323   0.445  -3.710
  632   3HG2  THR  80          3HG2      THR  80   9.253   0.496  -1.948
  633    H    GLU  81           H        GLU  81  13.093   1.983  -4.339
  634    HA   GLU  81           HA       GLU  81  14.889   4.095  -4.107
  635   1HB   GLU  81          2HB       GLU  81  13.856   2.417  -6.306
  636   2HB   GLU  81          1HB       GLU  81  14.521   3.968  -6.798
  637   1HG   GLU  81          2HG       GLU  81  16.524   3.261  -5.280
  638   2HG   GLU  81          1HG       GLU  81  15.876   1.641  -5.532
  639    H    ALA  82           H        ALA  82  14.930   6.182  -5.070
  640    HA   ALA  82           HA       ALA  82  12.929   7.898  -4.515
  641   1HB   ALA  82          1HB       ALA  82  15.168   8.583  -5.237
  642   2HB   ALA  82          2HB       ALA  82  13.903   9.472  -6.086
  643   3HB   ALA  82          3HB       ALA  82  14.755   8.159  -6.898
  644    H    LEU  83           H        LEU  83  10.851   7.797  -5.019
  645    HA   LEU  83           HA       LEU  83  10.117   7.280  -7.823
  646   1HB   LEU  83          2HB       LEU  83   9.347   5.879  -5.494
  647   2HB   LEU  83          1HB       LEU  83   7.937   6.773  -6.030
  648    HG   LEU  83           HG       LEU  83   8.597   5.729  -8.376
  649   1HD1  LEU  83          1HD1      LEU  83  10.302   4.344  -6.503
  650   2HD1  LEU  83          2HD1      LEU  83  10.276   4.274  -8.265
  651   3HD1  LEU  83          3HD1      LEU  83   9.213   3.227  -7.325
  652   1HD2  LEU  83          1HD2      LEU  83   6.458   5.378  -7.413
  653   2HD2  LEU  83          2HD2      LEU  83   7.126   4.374  -6.126
  654   3HD2  LEU  83          3HD2      LEU  83   7.112   3.784  -7.788
  655    H    LYS  84           H        LYS  84   8.848   8.725  -8.815
  656    HA   LYS  84           HA       LYS  84   8.471  11.281  -7.715
  657   1HB   LYS  84          2HB       LYS  84   8.506  10.379 -10.212
  658   2HB   LYS  84          1HB       LYS  84   6.763  10.381  -9.985
  659   1HG   LYS  84          2HG       LYS  84   7.399  12.839  -9.048
  660   2HG   LYS  84          1HG       LYS  84   8.632  12.619 -10.292
  661   1HD   LYS  84          2HD       LYS  84   5.898  11.839 -11.059
  662   2HD   LYS  84          1HD       LYS  84   6.146  13.563 -10.774
  663   1HE   LYS  84          2HE       LYS  84   7.881  11.883 -12.576
  664   2HE   LYS  84          1HE       LYS  84   6.505  12.831 -13.139
  665   1HZ   LYS  84          1HZ       LYS  84   7.747  14.648 -13.154
  666   2HZ   LYS  84          2HZ       LYS  84   9.101  13.700 -12.799
  667   3HZ   LYS  84          3HZ       LYS  84   8.224  14.423 -11.547
  668    H    ASP  85           H        ASP  85   6.542   8.427  -7.573
  669    HA   ASP  85           HA       ASP  85   3.967   9.253  -7.337
  670   1HB   ASP  85          2HB       ASP  85   5.264   6.932  -6.801
  671   2HB   ASP  85          1HB       ASP  85   4.798   7.423  -5.175
  672    H    LEU  86           H        LEU  86   6.366   9.333  -4.703
  673    HA   LEU  86           HA       LEU  86   4.555  11.127  -3.235
  674   1HB   LEU  86          2HB       LEU  86   6.879   9.686  -2.002
  675   2HB   LEU  86          1HB       LEU  86   5.496  10.411  -1.207
  676    HG   LEU  86           HG       LEU  86   4.176   8.570  -2.587
  677   1HD1  LEU  86          1HD1      LEU  86   5.327   6.791  -3.326
  678   2HD1  LEU  86          2HD1      LEU  86   6.491   6.860  -2.003
  679   3HD1  LEU  86          3HD1      LEU  86   6.674   7.928  -3.395
  680   1HD2  LEU  86          1HD2      LEU  86   3.731   8.012  -0.486
  681   2HD2  LEU  86          2HD2      LEU  86   5.209   8.798   0.069
  682   3HD2  LEU  86          3HD2      LEU  86   5.242   7.105  -0.424
  683    H    GLU  87           H        GLU  87   7.619  10.853  -4.762
  684    HA   GLU  87           HA       GLU  87   8.283  13.568  -3.848
  685   1HB   GLU  87          2HB       GLU  87  10.418  11.578  -4.518
  686   2HB   GLU  87          1HB       GLU  87  10.527  13.029  -3.531
  687   1HG   GLU  87          2HG       GLU  87   9.133  11.905  -1.818
  688   2HG   GLU  87          1HG       GLU  87   9.187  10.436  -2.794
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1  16.735   8.597   0.898
    2   2H    MET   1          2HT       MET   1  17.665   9.805   0.166
    3   3H    MET   1          3HT       MET   1  16.930  10.094   1.661
    4    HA   MET   1           HA       MET   1  18.866   7.901   1.354
    5   1HB   MET   1          2HB       MET   1  19.357  10.837   1.408
    6   2HB   MET   1          1HB       MET   1  20.428   9.824   2.367
    7   1HG   MET   1          2HG       MET   1  20.142   8.655  -0.211
    8   2HG   MET   1          1HG       MET   1  20.524  10.365  -0.402
    9   1HE   MET   1          1HE       MET   1  23.193   6.970   0.521
   10   2HE   MET   1          2HE       MET   1  21.447   6.985   0.268
   11   3HE   MET   1          3HE       MET   1  22.104   7.165   1.895
   12    H    GLY   2           H        GLY   2  17.123   7.177   2.949
   13   1HA   GLY   2          2HA       GLY   2  17.503   6.493   5.286
   14   2HA   GLY   2          1HA       GLY   2  17.841   8.179   5.636
   15    H    GLN   3           H        GLN   3  15.366   8.361   3.527
   16    HA   GLN   3           HA       GLN   3  13.392   8.407   5.703
   17   1HB   GLN   3          2HB       GLN   3  12.112   9.952   4.269
   18   2HB   GLN   3          1HB       GLN   3  13.720  10.562   4.633
   19   1HG   GLN   3          2HG       GLN   3  14.500  10.105   2.465
   20   2HG   GLN   3          1HG       GLN   3  13.107   9.090   2.093
   21   1HE2  GLN   3          1HE2      GLN   3  11.362   9.989   1.194
   22   2HE2  GLN   3          2HE2      GLN   3  11.151  11.681   0.916
   23    H    VAL   4           H        VAL   4  11.250   7.643   5.305
   24    HA   VAL   4           HA       VAL   4  11.183   5.525   3.267
   25    HB   VAL   4           HB       VAL   4   9.329   4.538   4.655
   26   1HG1  VAL   4          1HG1      VAL   4  11.076   4.037   6.625
   27   2HG1  VAL   4          2HG1      VAL   4  12.172   4.713   5.421
   28   3HG1  VAL   4          3HG1      VAL   4  11.182   3.308   5.022
   29   1HG2  VAL   4          1HG2      VAL   4   8.759   6.624   5.861
   30   2HG2  VAL   4          2HG2      VAL   4  10.282   6.495   6.742
   31   3HG2  VAL   4          3HG2      VAL   4   9.043   5.255   6.936
   32    H    VAL   5           H        VAL   5   9.486   5.302   1.904
   33    HA   VAL   5           HA       VAL   5   7.709   7.618   1.642
   34    HB   VAL   5           HB       VAL   5   7.275   6.831  -0.628
   35   1HG1  VAL   5          1HG1      VAL   5  10.041   6.606  -1.053
   36   2HG1  VAL   5          2HG1      VAL   5   9.844   7.626   0.371
   37   3HG1  VAL   5          3HG1      VAL   5   9.051   8.063  -1.142
   38   1HG2  VAL   5          1HG2      VAL   5   7.499   4.388  -0.042
   39   2HG2  VAL   5          2HG2      VAL   5   9.247   4.606  -0.130
   40   3HG2  VAL   5          3HG2      VAL   5   8.252   4.872  -1.562
   41    H    GLN   6           H        GLN   6   5.508   7.407   1.801
   42    HA   GLN   6           HA       GLN   6   4.564   4.756   2.633
   43   1HB   GLN   6          2HB       GLN   6   4.218   6.190   4.452
   44   2HB   GLN   6          1HB       GLN   6   3.738   7.533   3.428
   45   1HG   GLN   6          2HG       GLN   6   2.037   5.123   3.395
   46   2HG   GLN   6          1HG       GLN   6   2.018   6.124   4.842
   47   1HE2  GLN   6          1HE2      GLN   6   2.276   8.631   3.894
   48   2HE2  GLN   6          2HE2      GLN   6   0.967   9.038   2.846
   49    H    PHE   7           H        PHE   7   2.654   3.915   1.933
   50    HA   PHE   7           HA       PHE   7   1.490   5.134  -0.476
   51   1HB   PHE   7          2HB       PHE   7   2.386   3.040  -1.134
   52   2HB   PHE   7          1HB       PHE   7   1.865   2.252   0.352
   53    HD1  PHE   7           1HD      PHE   7   0.763   3.537  -2.913
   54    HD2  PHE   7           2HD      PHE   7  -0.329   1.368   0.579
   55    HE1  PHE   7           1HE      PHE   7  -1.286   2.770  -4.035
   56    HE2  PHE   7           2HE      PHE   7  -2.377   0.594  -0.535
   57    HZ   PHE   7           HZ       PHE   7  -2.860   1.295  -2.849
   58    H    LYS   8           H        LYS   8  -0.604   5.750  -0.342
   59    HA   LYS   8           HA       LYS   8  -2.133   4.874   2.023
   60   1HB   LYS   8          2HB       LYS   8  -3.368   7.020   1.828
   61   2HB   LYS   8          1HB       LYS   8  -1.656   7.250   2.153
   62   1HG   LYS   8          2HG       LYS   8  -2.344   7.226  -0.692
   63   2HG   LYS   8          1HG       LYS   8  -3.075   8.542   0.231
   64   1HD   LYS   8          2HD       LYS   8  -0.165   7.910   0.539
   65   2HD   LYS   8          1HD       LYS   8  -0.727   8.878  -0.826
   66   1HE   LYS   8          2HE       LYS   8  -1.442   9.532   2.022
   67   2HE   LYS   8          1HE       LYS   8   0.026  10.138   1.252
   68   1HZ   LYS   8          1HZ       LYS   8  -2.475  11.263   1.136
   69   2HZ   LYS   8          2HZ       LYS   8  -2.258  10.567  -0.390
   70   3HZ   LYS   8          3HZ       LYS   8  -1.133  11.687   0.195
   71    H    LEU   9           H        LEU   9  -4.195   4.120   1.765
   72    HA   LEU   9           HA       LEU   9  -5.016   2.807  -0.481
   73   1HB   LEU   9          2HB       LEU   9  -6.042   2.582   1.735
   74   2HB   LEU   9          1HB       LEU   9  -6.771   4.164   1.575
   75    HG   LEU   9           HG       LEU   9  -8.416   2.401   1.247
   76   1HD1  LEU   9          1HD1      LEU   9  -9.526   3.344  -0.498
   77   2HD1  LEU   9          2HD1      LEU   9  -8.080   3.465  -1.500
   78   3HD1  LEU   9          3HD1      LEU   9  -8.326   4.594  -0.168
   79   1HD2  LEU   9          1HD2      LEU   9  -6.354   1.145  -0.224
   80   2HD2  LEU   9          2HD2      LEU   9  -7.742   1.380  -1.290
   81   3HD2  LEU   9          3HD2      LEU   9  -7.940   0.516   0.239
   82    H    SER  10           H        SER  10  -5.626   3.394  -2.464
   83    HA   SER  10           HA       SER  10  -6.805   6.066  -2.843
   84   1HB   SER  10          2HB       SER  10  -4.570   4.743  -4.344
   85   2HB   SER  10          1HB       SER  10  -5.611   5.904  -5.165
   86    HG   SER  10           HG       SER  10  -4.862   7.490  -3.917
   87    H    ASP  11           H        ASP  11  -7.624   6.129  -5.297
   88    HA   ASP  11           HA       ASP  11  -8.929   5.257  -6.979
   89   1HB   ASP  11          2HB       ASP  11  -7.869   2.923  -6.039
   90   2HB   ASP  11          1HB       ASP  11  -9.583   2.680  -5.718
   91    H    ILE  12           H        ILE  12  -9.726   5.166  -3.624
   92    HA   ILE  12           HA       ILE  12 -12.584   5.047  -4.167
   93    HB   ILE  12           HB       ILE  12 -10.906   4.839  -1.699
   94   1HG1  ILE  12          2HG1      ILE  12 -12.519   2.922  -1.330
   95   2HG1  ILE  12          1HG1      ILE  12 -13.161   3.272  -2.932
   96   1HG2  ILE  12          1HG2      ILE  12 -12.561   6.523  -1.068
   97   2HG2  ILE  12          2HG2      ILE  12 -12.855   4.994  -0.242
   98   3HG2  ILE  12          3HG2      ILE  12 -13.854   5.458  -1.617
   99   1HD1  ILE  12          1HD1      ILE  12 -10.811   2.955  -3.799
  100   2HD1  ILE  12          2HD1      ILE  12 -11.619   1.509  -3.194
  101   3HD1  ILE  12          3HD1      ILE  12 -10.404   2.321  -2.203
  102    H    GLY  13           H        GLY  13 -13.998   6.684  -3.121
  103   1HA   GLY  13          2HA       GLY  13 -13.046   9.336  -3.802
  104   2HA   GLY  13          1HA       GLY  13 -14.695   8.890  -3.397
  105    H    GLU  14           H        GLU  14 -13.815  11.181  -2.381
  106    HA   GLU  14           HA       GLU  14 -12.395  11.245  -0.030
  107   1HB   GLU  14          2HB       GLU  14 -13.287  13.225  -1.239
  108   2HB   GLU  14          1HB       GLU  14 -14.888  12.846  -0.618
  109   1HG   GLU  14          2HG       GLU  14 -14.343  13.449   1.539
  110   2HG   GLU  14          1HG       GLU  14 -12.614  13.227   1.274
  111    H    GLY  15           H        GLY  15 -15.967  11.051  -0.197
  112   1HA   GLY  15          2HA       GLY  15 -15.860   9.531   2.333
  113   2HA   GLY  15          1HA       GLY  15 -17.040  10.801   2.066
  114    H    ILE  16           H        ILE  16 -15.906   7.795   0.509
  115    HA   ILE  16           HA       ILE  16 -18.719   7.022   0.183
  116    HB   ILE  16           HB       ILE  16 -18.334   6.166  -2.027
  117   1HG1  ILE  16          2HG1      ILE  16 -15.594   7.344  -2.206
  118   2HG1  ILE  16          1HG1      ILE  16 -15.770   5.770  -1.439
  119   1HG2  ILE  16          1HG2      ILE  16 -18.238   8.173  -3.225
  120   2HG2  ILE  16          2HG2      ILE  16 -17.148   8.917  -2.055
  121   3HG2  ILE  16          3HG2      ILE  16 -18.834   8.625  -1.628
  122   1HD1  ILE  16          1HD1      ILE  16 -17.150   5.259  -3.629
  123   2HD1  ILE  16          2HD1      ILE  16 -15.392   5.114  -3.571
  124   3HD1  ILE  16          3HD1      ILE  16 -16.137   6.555  -4.268
  125    H    ARG  17           H        ARG  17 -18.352   4.559  -0.986
  126    HA   ARG  17           HA       ARG  17 -17.729   2.917   1.175
  127   1HB   ARG  17          2HB       ARG  17 -17.826   2.316  -1.785
  128   2HB   ARG  17          1HB       ARG  17 -17.642   1.077  -0.551
  129   1HG   ARG  17          2HG       ARG  17 -19.795   1.416   0.283
  130   2HG   ARG  17          1HG       ARG  17 -19.950   2.988  -0.506
  131   1HD   ARG  17          2HD       ARG  17 -19.455   1.116  -2.546
  132   2HD   ARG  17          1HD       ARG  17 -20.657   0.385  -1.484
  133    HE   ARG  17           HE       ARG  17 -21.627   2.872  -1.851
  134   1HH1  ARG  17          1HH1      ARG  17 -20.504   0.420  -4.057
  135   2HH1  ARG  17          2HH1      ARG  17 -21.558   0.911  -5.342
  136   1HH2  ARG  17          1HH2      ARG  17 -23.017   3.525  -3.538
  137   2HH2  ARG  17          2HH2      ARG  17 -22.984   2.676  -5.047
  138    H    GLU  18           H        GLU  18 -15.928   1.717   1.732
  139    HA   GLU  18           HA       GLU  18 -13.412   2.671   0.574
  140   1HB   GLU  18          2HB       GLU  18 -14.147   1.443   3.211
  141   2HB   GLU  18          1HB       GLU  18 -12.473   1.463   2.667
  142   1HG   GLU  18          2HG       GLU  18 -12.528   3.395   3.862
  143   2HG   GLU  18          1HG       GLU  18 -12.977   4.009   2.271
  144    H    VAL  19           H        VAL  19 -11.584   0.891   0.706
  145    HA   VAL  19           HA       VAL  19 -12.760  -1.558  -0.465
  146    HB   VAL  19           HB       VAL  19 -11.676  -0.145  -2.167
  147   1HG1  VAL  19          1HG1      VAL  19  -9.931   0.760  -0.610
  148   2HG1  VAL  19          2HG1      VAL  19  -9.333   0.243  -2.187
  149   3HG1  VAL  19          3HG1      VAL  19  -9.088  -0.781  -0.772
  150   1HG2  VAL  19          1HG2      VAL  19 -11.811  -2.598  -2.397
  151   2HG2  VAL  19          2HG2      VAL  19 -10.213  -2.733  -1.662
  152   3HG2  VAL  19          3HG2      VAL  19 -10.405  -1.915  -3.213
  153    H    THR  20           H        THR  20 -11.813  -3.526  -0.087
  154    HA   THR  20           HA       THR  20 -10.136  -3.652   2.311
  155    HB   THR  20           HB       THR  20 -11.215  -6.115   1.030
  156    HG1  THR  20           1HG      THR  20 -13.047  -4.856   0.948
  157   1HG2  THR  20          1HG2      THR  20 -11.454  -6.862   3.305
  158   2HG2  THR  20          2HG2      THR  20 -11.114  -5.245   3.917
  159   3HG2  THR  20          3HG2      THR  20  -9.849  -6.162   3.102
  160    H    VAL  21           H        VAL  21  -8.361  -5.121   2.411
  161    HA   VAL  21           HA       VAL  21  -6.776  -5.095  -0.003
  162    HB   VAL  21           HB       VAL  21  -6.164  -6.267   2.717
  163   1HG1  VAL  21          1HG1      VAL  21  -3.763  -5.739   1.547
  164   2HG1  VAL  21          2HG1      VAL  21  -4.713  -6.305   0.173
  165   3HG1  VAL  21          3HG1      VAL  21  -4.534  -7.324   1.600
  166   1HG2  VAL  21          1HG2      VAL  21  -5.576  -3.601   1.462
  167   2HG2  VAL  21          2HG2      VAL  21  -4.646  -4.227   2.825
  168   3HG2  VAL  21          3HG2      VAL  21  -6.378  -3.942   2.995
  169    H    LYS  22           H        LYS  22  -6.593  -6.712  -1.436
  170    HA   LYS  22           HA       LYS  22  -7.898  -9.254  -0.815
  171   1HB   LYS  22          2HB       LYS  22  -8.288  -7.772  -2.956
  172   2HB   LYS  22          1HB       LYS  22  -6.838  -8.583  -3.530
  173   1HG   LYS  22          2HG       LYS  22  -8.303 -10.088  -4.315
  174   2HG   LYS  22          1HG       LYS  22  -8.259 -10.703  -2.661
  175   1HD   LYS  22          2HD       LYS  22 -10.236  -9.426  -2.096
  176   2HD   LYS  22          1HD       LYS  22 -10.249  -8.685  -3.697
  177   1HE   LYS  22          2HE       LYS  22 -10.305 -11.655  -3.505
  178   2HE   LYS  22          1HE       LYS  22 -11.776 -10.761  -3.121
  179   1HZ   LYS  22          1HZ       LYS  22 -11.419 -11.506  -5.519
  180   2HZ   LYS  22          2HZ       LYS  22 -10.292 -10.249  -5.621
  181   3HZ   LYS  22          3HZ       LYS  22 -11.908  -9.907  -5.262
  182    H    GLU  23           H        GLU  23  -4.775  -7.871  -1.403
  183    HA   GLU  23           HA       GLU  23  -3.580 -10.503  -0.958
  184   1HB   GLU  23          2HB       GLU  23  -3.652  -9.423  -3.476
  185   2HB   GLU  23          1HB       GLU  23  -2.084  -8.884  -2.889
  186   1HG   GLU  23          2HG       GLU  23  -1.517 -10.880  -3.834
  187   2HG   GLU  23          1HG       GLU  23  -1.833 -11.389  -2.176
  188    H    TRP  24           H        TRP  24  -1.994 -10.485   0.469
  189    HA   TRP  24           HA       TRP  24  -0.576  -7.971   1.041
  190   1HB   TRP  24          2HB       TRP  24  -2.140  -9.690   2.884
  191   2HB   TRP  24          1HB       TRP  24  -0.579  -9.154   3.490
  192    HD1  TRP  24           HD       TRP  24  -3.954  -8.175   3.811
  193    HE1  TRP  24           1HE      TRP  24  -4.242  -5.648   4.204
  194    HE3  TRP  24           3HE      TRP  24   0.670  -6.597   2.322
  195    HZ2  TRP  24           2HZ      TRP  24  -2.706  -3.296   3.924
  196    HZ3  TRP  24           3HZ      TRP  24   1.182  -4.195   2.415
  197    HH2  TRP  24           HH       TRP  24  -0.471  -2.578   3.198
  198    H    TYR  25           H        TYR  25   1.519  -8.295   0.566
  199    HA   TYR  25           HA       TYR  25   2.608 -11.005   0.999
  200   1HB   TYR  25          2HB       TYR  25   2.774  -9.157  -1.259
  201   2HB   TYR  25          1HB       TYR  25   4.338  -9.798  -0.769
  202    HD1  TYR  25           1HD      TYR  25   2.150 -10.254  -3.196
  203    HD2  TYR  25           2HD      TYR  25   3.741 -12.522   0.032
  204    HE1  TYR  25           1HE      TYR  25   1.678 -12.328  -4.430
  205    HE2  TYR  25           2HE      TYR  25   3.273 -14.603  -1.192
  206    HH   TYR  25           HH       TYR  25   1.517 -14.591  -4.242
  207    H    VAL  26           H        VAL  26   2.598  -8.511   2.801
  208    HA   VAL  26           HA       VAL  26   5.270  -8.888   3.774
  209    HB   VAL  26           HB       VAL  26   5.771  -6.363   3.676
  210   1HG1  VAL  26          1HG1      VAL  26   6.694  -8.392   2.247
  211   2HG1  VAL  26          2HG1      VAL  26   7.163  -6.726   1.913
  212   3HG1  VAL  26          3HG1      VAL  26   5.911  -7.501   0.942
  213   1HG2  VAL  26          1HG2      VAL  26   4.804  -5.362   1.538
  214   2HG2  VAL  26          2HG2      VAL  26   3.746  -5.444   2.947
  215   3HG2  VAL  26          3HG2      VAL  26   3.579  -6.625   1.648
  216    H    LYS  27           H        LYS  27   5.701  -7.529   5.724
  217    HA   LYS  27           HA       LYS  27   3.356  -6.397   7.013
  218   1HB   LYS  27          2HB       LYS  27   4.195  -9.070   7.505
  219   2HB   LYS  27          1HB       LYS  27   4.548  -8.121   8.941
  220   1HG   LYS  27          2HG       LYS  27   2.272  -7.469   9.168
  221   2HG   LYS  27          1HG       LYS  27   1.863  -8.142   7.587
  222   1HD   LYS  27          2HD       LYS  27   1.851 -10.291   8.353
  223   2HD   LYS  27          1HD       LYS  27   3.073  -9.973   9.585
  224   1HE   LYS  27          2HE       LYS  27   1.251  -8.570  10.735
  225   2HE   LYS  27          1HE       LYS  27   0.128  -9.410   9.665
  226   1HZ   LYS  27          1HZ       LYS  27   0.691 -10.351  12.019
  227   2HZ   LYS  27          2HZ       LYS  27   2.035 -11.001  11.225
  228   3HZ   LYS  27          3HZ       LYS  27   0.475 -11.397  10.706
  229    H    GLU  28           H        GLU  28   3.933  -5.642   9.254
  230    HA   GLU  28           HA       GLU  28   5.722  -3.614   9.281
  231   1HB   GLU  28          2HB       GLU  28   5.727  -4.982  11.886
  232   2HB   GLU  28          1HB       GLU  28   5.247  -3.347  11.484
  233   1HG   GLU  28          2HG       GLU  28   3.128  -4.460  10.521
  234   2HG   GLU  28          1HG       GLU  28   3.614  -5.841  11.498
  235    H    GLY  29           H        GLY  29   7.883  -3.272   9.522
  236   1HA   GLY  29          2HA       GLY  29  10.117  -3.708   9.834
  237   2HA   GLY  29          1HA       GLY  29   9.636  -5.091  10.799
  238    H    ASP  30           H        ASP  30   8.251  -5.383   7.768
  239    HA   ASP  30           HA       ASP  30  10.345  -7.302   7.022
  240   1HB   ASP  30          2HB       ASP  30   7.522  -7.048   5.980
  241   2HB   ASP  30          1HB       ASP  30   8.671  -8.297   5.525
  242    H    THR  31           H        THR  31  11.088  -7.486   4.871
  243    HA   THR  31           HA       THR  31  11.115  -4.911   3.474
  244    HB   THR  31           HB       THR  31  12.927  -7.287   3.020
  245    HG1  THR  31           1HG      THR  31  13.632  -4.900   4.378
  246   1HG2  THR  31          1HG2      THR  31  14.153  -5.965   1.585
  247   2HG2  THR  31          2HG2      THR  31  13.578  -4.461   2.308
  248   3HG2  THR  31          3HG2      THR  31  12.518  -5.393   1.250
  249    H    VAL  32           H        VAL  32  10.525  -4.701   1.368
  250    HA   VAL  32           HA       VAL  32   9.011  -6.924   0.220
  251    HB   VAL  32           HB       VAL  32   8.695  -4.603  -1.385
  252   1HG1  VAL  32          1HG1      VAL  32   7.166  -6.606  -0.627
  253   2HG1  VAL  32          2HG1      VAL  32   6.480  -5.071  -1.158
  254   3HG1  VAL  32          3HG1      VAL  32   6.621  -5.428   0.563
  255   1HG2  VAL  32          1HG2      VAL  32   9.315  -3.073   0.266
  256   2HG2  VAL  32          2HG2      VAL  32   8.573  -4.022   1.553
  257   3HG2  VAL  32          3HG2      VAL  32   7.560  -3.158   0.403
  258    H    SER  33           H        SER  33   9.070  -6.997  -2.247
  259    HA   SER  33           HA       SER  33  11.741  -6.380  -3.291
  260   1HB   SER  33          2HB       SER  33  10.906  -8.968  -2.553
  261   2HB   SER  33          1HB       SER  33  10.843  -8.923  -4.315
  262    HG   SER  33           HG       SER  33  13.044  -7.924  -4.068
  263    H    GLN  34           H        GLN  34  11.729  -7.117  -5.758
  264    HA   GLN  34           HA       GLN  34   9.971  -5.402  -7.097
  265   1HB   GLN  34          2HB       GLN  34  12.252  -6.657  -7.782
  266   2HB   GLN  34          1HB       GLN  34  11.099  -7.686  -8.618
  267   1HG   GLN  34          2HG       GLN  34  10.184  -5.670  -9.730
  268   2HG   GLN  34          1HG       GLN  34  11.458  -4.719  -8.969
  269   1HE2  GLN  34          1HE2      GLN  34  12.775  -4.164 -10.567
  270   2HE2  GLN  34          2HE2      GLN  34  13.489  -5.249 -11.706
  271    H    PHE  35           H        PHE  35   9.887  -8.915  -6.667
  272    HA   PHE  35           HA       PHE  35   7.337  -9.091  -8.060
  273   1HB   PHE  35          2HB       PHE  35   9.026 -10.823  -8.472
  274   2HB   PHE  35          1HB       PHE  35   9.026 -11.239  -6.762
  275    HD1  PHE  35           1HD      PHE  35   6.242 -10.582  -9.151
  276    HD2  PHE  35           2HD      PHE  35   8.147 -13.352  -6.541
  277    HE1  PHE  35           1HE      PHE  35   4.428 -12.196  -9.547
  278    HE2  PHE  35           2HE      PHE  35   6.337 -14.972  -6.935
  279    HZ   PHE  35           HZ       PHE  35   4.474 -14.395  -8.438
  280    H    ASP  36           H        ASP  36   8.528  -8.804  -4.853
  281    HA   ASP  36           HA       ASP  36   6.154  -9.946  -3.638
  282   1HB   ASP  36          2HB       ASP  36   8.800  -9.024  -2.697
  283   2HB   ASP  36          1HB       ASP  36   7.467  -8.790  -1.570
  284    H    SER  37           H        SER  37   4.533  -8.555  -4.416
  285    HA   SER  37           HA       SER  37   4.585  -5.748  -4.180
  286   1HB   SER  37          2HB       SER  37   2.357  -7.759  -4.455
  287   2HB   SER  37          1HB       SER  37   2.015  -6.039  -4.266
  288    HG   SER  37           HG       SER  37   2.195  -6.813  -6.480
  289    H    ILE  38           H        ILE  38   3.263  -4.425  -2.705
  290    HA   ILE  38           HA       ILE  38   3.541  -5.425   0.012
  291    HB   ILE  38           HB       ILE  38   2.880  -2.657  -0.996
  292   1HG1  ILE  38          2HG1      ILE  38   5.381  -3.743   0.308
  293   2HG1  ILE  38          1HG1      ILE  38   5.193  -3.452  -1.419
  294   1HG2  ILE  38          1HG2      ILE  38   1.844  -2.888   1.145
  295   2HG2  ILE  38          2HG2      ILE  38   3.328  -1.965   1.372
  296   3HG2  ILE  38          3HG2      ILE  38   3.273  -3.672   1.821
  297   1HD1  ILE  38          1HD1      ILE  38   5.307  -1.188  -1.187
  298   2HD1  ILE  38          2HD1      ILE  38   6.342  -1.696   0.148
  299   3HD1  ILE  38          3HD1      ILE  38   4.675  -1.215   0.459
  300    H    CYS  39           H        CYS  39   1.064  -3.220  -1.216
  301    HA   CYS  39           HA       CYS  39  -0.967  -4.946   0.028
  302   1HB   CYS  39          2HB       CYS  39  -0.585  -2.609   0.964
  303   2HB   CYS  39          1HB       CYS  39  -1.252  -1.998  -0.546
  304    HG   CYS  39           HG       CYS  39  -3.780  -2.918  -0.186
  305    H    GLU  40           H        GLU  40  -2.793  -5.482  -1.079
  306    HA   GLU  40           HA       GLU  40  -3.079  -4.500  -3.832
  307   1HB   GLU  40          2HB       GLU  40  -2.058  -6.965  -3.329
  308   2HB   GLU  40          1HB       GLU  40  -3.775  -7.338  -3.378
  309   1HG   GLU  40          2HG       GLU  40  -3.862  -6.181  -5.601
  310   2HG   GLU  40          1HG       GLU  40  -2.102  -6.102  -5.546
  311    H    VAL  41           H        VAL  41  -5.093  -3.796  -4.222
  312    HA   VAL  41           HA       VAL  41  -7.283  -4.896  -2.588
  313    HB   VAL  41           HB       VAL  41  -8.314  -2.681  -2.467
  314   1HG1  VAL  41          1HG1      VAL  41  -5.573  -3.107  -1.359
  315   2HG1  VAL  41          2HG1      VAL  41  -7.132  -3.111  -0.534
  316   3HG1  VAL  41          3HG1      VAL  41  -6.415  -1.587  -1.057
  317   1HG2  VAL  41          1HG2      VAL  41  -7.600  -0.870  -3.582
  318   2HG2  VAL  41          2HG2      VAL  41  -6.714  -2.027  -4.576
  319   3HG2  VAL  41          3HG2      VAL  41  -5.903  -1.209  -3.240
  320    H    GLN  42           H        GLN  42  -9.276  -5.094  -3.566
  321    HA   GLN  42           HA       GLN  42  -9.429  -4.406  -6.421
  322   1HB   GLN  42          2HB       GLN  42 -10.130  -7.056  -5.152
  323   2HB   GLN  42          1HB       GLN  42 -10.635  -6.593  -6.772
  324   1HG   GLN  42          2HG       GLN  42  -8.049  -6.154  -7.069
  325   2HG   GLN  42          1HG       GLN  42  -7.945  -7.324  -5.754
  326   1HE2  GLN  42          1HE2      GLN  42  -7.179  -7.450  -8.624
  327   2HE2  GLN  42          2HE2      GLN  42  -7.965  -8.861  -9.238
  328    H    SER  43           H        SER  43 -11.160  -3.220  -6.850
  329    HA   SER  43           HA       SER  43 -13.516  -3.493  -5.100
  330   1HB   SER  43          2HB       SER  43 -11.912  -1.185  -5.633
  331   2HB   SER  43          1HB       SER  43 -13.521  -0.920  -6.302
  332    HG   SER  43           HG       SER  43 -13.964  -0.421  -4.301
  333    H    ASP  44           H        ASP  44 -15.574  -3.098  -6.067
  334    HA   ASP  44           HA       ASP  44 -16.116  -4.403  -8.401
  335   1HB   ASP  44          2HB       ASP  44 -17.550  -2.459  -6.726
  336   2HB   ASP  44          1HB       ASP  44 -18.109  -2.525  -8.394
  337    H    LYS  45           H        LYS  45 -15.550  -0.917  -8.035
  338    HA   LYS  45           HA       LYS  45 -15.993  -0.166 -10.684
  339   1HB   LYS  45          2HB       LYS  45 -15.158   1.095  -8.348
  340   2HB   LYS  45          1HB       LYS  45 -13.810   1.312  -9.456
  341   1HG   LYS  45          2HG       LYS  45 -15.387   2.242 -11.122
  342   2HG   LYS  45          1HG       LYS  45 -16.672   2.122  -9.918
  343   1HD   LYS  45          2HD       LYS  45 -15.787   4.378  -9.961
  344   2HD   LYS  45          1HD       LYS  45 -15.382   3.601  -8.428
  345   1HE   LYS  45          2HE       LYS  45 -13.170   3.648  -8.846
  346   2HE   LYS  45          1HE       LYS  45 -13.384   3.262 -10.553
  347   1HZ   LYS  45          1HZ       LYS  45 -12.867   5.758  -9.384
  348   2HZ   LYS  45          2HZ       LYS  45 -14.389   5.830 -10.119
  349   3HZ   LYS  45          3HZ       LYS  45 -13.034   5.380 -11.026
  350    H    ALA  46           H        ALA  46 -12.776  -0.490  -9.178
  351    HA   ALA  46           HA       ALA  46 -11.807  -1.918 -11.521
  352   1HB   ALA  46          1HB       ALA  46 -11.359   0.229 -12.324
  353   2HB   ALA  46          2HB       ALA  46  -9.827  -0.292 -11.622
  354   3HB   ALA  46          3HB       ALA  46 -10.870   0.821 -10.736
  355    H    SER  47           H        SER  47  -9.670  -2.837 -11.212
  356    HA   SER  47           HA       SER  47  -9.090  -3.296  -8.364
  357   1HB   SER  47          2HB       SER  47  -8.227  -5.441  -8.959
  358   2HB   SER  47          1HB       SER  47  -9.745  -5.261  -9.836
  359    HG   SER  47           HG       SER  47  -7.215  -5.553 -10.792
  360    H    VAL  48           H        VAL  48  -7.165  -2.718  -7.537
  361    HA   VAL  48           HA       VAL  48  -5.032  -1.956  -9.421
  362    HB   VAL  48           HB       VAL  48  -5.438  -0.516  -6.816
  363   1HG1  VAL  48          1HG1      VAL  48  -3.269  -0.293  -7.886
  364   2HG1  VAL  48          2HG1      VAL  48  -4.147   1.234  -7.956
  365   3HG1  VAL  48          3HG1      VAL  48  -4.041   0.211  -9.389
  366   1HG2  VAL  48          1HG2      VAL  48  -6.732   1.171  -7.879
  367   2HG2  VAL  48          2HG2      VAL  48  -7.502  -0.371  -8.254
  368   3HG2  VAL  48          3HG2      VAL  48  -6.507   0.436  -9.467
  369    H    THR  49           H        THR  49  -3.097  -2.795  -9.037
  370    HA   THR  49           HA       THR  49  -2.652  -4.163  -6.467
  371    HB   THR  49           HB       THR  49  -1.133  -5.669  -7.598
  372    HG1  THR  49           1HG      THR  49  -1.538  -3.892  -9.752
  373   1HG2  THR  49          1HG2      THR  49  -3.254  -6.587  -7.711
  374   2HG2  THR  49          2HG2      THR  49  -2.792  -6.556  -9.413
  375   3HG2  THR  49          3HG2      THR  49  -3.862  -5.312  -8.768
  376    H    ILE  50           H        ILE  50  -0.963  -3.542  -5.235
  377    HA   ILE  50           HA       ILE  50   0.689  -1.359  -6.267
  378    HB   ILE  50           HB       ILE  50   0.558  -2.285  -3.409
  379   1HG1  ILE  50          2HG1      ILE  50  -1.722  -1.791  -4.166
  380   2HG1  ILE  50          1HG1      ILE  50  -1.154  -0.557  -3.046
  381   1HG2  ILE  50          1HG2      ILE  50   0.941   0.545  -4.021
  382   2HG2  ILE  50          2HG2      ILE  50   2.217  -0.498  -4.649
  383   3HG2  ILE  50          3HG2      ILE  50   1.835  -0.512  -2.927
  384   1HD1  ILE  50          1HD1      ILE  50  -2.386   0.387  -4.935
  385   2HD1  ILE  50          2HD1      ILE  50  -1.198  -0.299  -6.044
  386   3HD1  ILE  50          3HD1      ILE  50  -0.714   0.946  -4.892
  387    H    THR  51           H        THR  51   2.493  -2.020  -7.212
  388    HA   THR  51           HA       THR  51   3.995  -4.273  -6.105
  389    HB   THR  51           HB       THR  51   5.110  -2.930  -8.469
  390    HG1  THR  51           1HG      THR  51   3.038  -2.667  -9.153
  391   1HG2  THR  51          1HG2      THR  51   5.582  -5.263  -7.347
  392   2HG2  THR  51          2HG2      THR  51   5.673  -5.071  -9.098
  393   3HG2  THR  51          3HG2      THR  51   4.235  -5.779  -8.362
  394    H    SER  52           H        SER  52   6.557  -3.782  -6.513
  395    HA   SER  52           HA       SER  52   7.054  -1.245  -5.096
  396   1HB   SER  52          2HB       SER  52   7.389  -3.226  -3.663
  397   2HB   SER  52          1HB       SER  52   8.583  -3.838  -4.806
  398    HG   SER  52           HG       SER  52   8.788  -1.325  -3.509
  399    H    ARG  53           H        ARG  53   8.147  -3.416  -7.620
  400    HA   ARG  53           HA       ARG  53   9.644  -3.177  -9.318
  401   1HB   ARG  53          2HB       ARG  53  10.169  -0.326  -9.135
  402   2HB   ARG  53          1HB       ARG  53   9.472  -1.252 -10.451
  403   1HG   ARG  53          2HG       ARG  53   8.034  -0.010  -8.117
  404   2HG   ARG  53          1HG       ARG  53   7.913   0.415  -9.822
  405   1HD   ARG  53          2HD       ARG  53   7.281  -2.261  -9.804
  406   2HD   ARG  53          1HD       ARG  53   6.544  -1.663  -8.317
  407    HE   ARG  53           HE       ARG  53   5.713   0.160 -10.068
  408   1HH1  ARG  53          1HH1      ARG  53   5.744  -3.324 -10.269
  409   2HH1  ARG  53          2HH1      ARG  53   4.370  -3.399 -11.319
  410   1HH2  ARG  53          1HH2      ARG  53   3.899   0.061 -11.439
  411   2HH2  ARG  53          2HH2      ARG  53   3.320  -1.479 -11.979
  412    H    TYR  54           H        TYR  54  10.459  -3.035  -6.290
  413    HA   TYR  54           HA       TYR  54  13.215  -3.272  -6.639
  414   1HB   TYR  54          2HB       TYR  54  12.201  -0.556  -6.034
  415   2HB   TYR  54          1HB       TYR  54  13.515  -1.116  -5.005
  416    HD1  TYR  54           1HD      TYR  54  12.989   0.890  -7.646
  417    HD2  TYR  54           2HD      TYR  54  15.300  -2.548  -6.679
  418    HE1  TYR  54           1HE      TYR  54  14.605   1.492  -9.398
  419    HE2  TYR  54           2HE      TYR  54  16.924  -1.956  -8.427
  420    HH   TYR  54           HH       TYR  54  16.574   1.008 -10.347
  421    H    ASP  55           H        ASP  55  14.294  -3.212  -4.316
  422    HA   ASP  55           HA       ASP  55  12.387  -4.586  -2.579
  423   1HB   ASP  55          2HB       ASP  55  15.371  -4.410  -2.160
  424   2HB   ASP  55          1HB       ASP  55  14.245  -5.579  -1.473
  425    H    GLY  56           H        GLY  56  11.458  -3.499  -0.994
  426   1HA   GLY  56          2HA       GLY  56  12.910  -1.190   0.139
  427   2HA   GLY  56          1HA       GLY  56  11.177  -1.186  -0.135
  428    H    VAL  57           H        VAL  57  12.193  -0.515   2.303
  429    HA   VAL  57           HA       VAL  57  11.844  -2.896   3.991
  430    HB   VAL  57           HB       VAL  57  12.805  -0.148   4.797
  431   1HG1  VAL  57          1HG1      VAL  57  13.581  -1.333   6.833
  432   2HG1  VAL  57          2HG1      VAL  57  12.732  -2.774   6.273
  433   3HG1  VAL  57          3HG1      VAL  57  11.826  -1.310   6.659
  434   1HG2  VAL  57          1HG2      VAL  57  14.954  -0.774   4.426
  435   2HG2  VAL  57          2HG2      VAL  57  14.190  -1.788   3.201
  436   3HG2  VAL  57          3HG2      VAL  57  14.632  -2.475   4.763
  437    H    ILE  58           H        ILE  58   9.977  -3.258   4.968
  438    HA   ILE  58           HA       ILE  58   8.002  -1.096   5.179
  439    HB   ILE  58           HB       ILE  58   7.490  -4.020   5.670
  440   1HG1  ILE  58          2HG1      ILE  58   7.648  -2.466   3.106
  441   2HG1  ILE  58          1HG1      ILE  58   8.335  -4.040   3.484
  442   1HG2  ILE  58          1HG2      ILE  58   5.353  -2.447   4.516
  443   2HG2  ILE  58          2HG2      ILE  58   5.929  -1.748   6.030
  444   3HG2  ILE  58          3HG2      ILE  58   5.365  -3.421   5.989
  445   1HD1  ILE  58          1HD1      ILE  58   6.622  -4.950   2.440
  446   2HD1  ILE  58          2HD1      ILE  58   5.826  -3.386   2.271
  447   3HD1  ILE  58          3HD1      ILE  58   5.574  -4.354   3.725
  448    H    LYS  59           H        LYS  59   7.427  -0.263   7.073
  449    HA   LYS  59           HA       LYS  59   8.666  -1.379   9.473
  450   1HB   LYS  59          2HB       LYS  59   8.865   1.071   8.762
  451   2HB   LYS  59          1HB       LYS  59   7.199   1.239   9.301
  452   1HG   LYS  59          2HG       LYS  59   8.296   0.041  11.458
  453   2HG   LYS  59          1HG       LYS  59   9.674   0.966  10.857
  454   1HD   LYS  59          2HD       LYS  59   8.785   2.901  11.536
  455   2HD   LYS  59          1HD       LYS  59   7.213   2.510  10.836
  456   1HE   LYS  59          2HE       LYS  59   7.037   0.899  12.889
  457   2HE   LYS  59          1HE       LYS  59   8.267   1.960  13.575
  458   1HZ   LYS  59          1HZ       LYS  59   5.476   2.554  12.886
  459   2HZ   LYS  59          2HZ       LYS  59   6.614   3.803  12.815
  460   3HZ   LYS  59          3HZ       LYS  59   6.356   2.977  14.268
  461    H    LYS  60           H        LYS  60   5.418  -0.525   8.251
  462    HA   LYS  60           HA       LYS  60   4.291  -2.435  10.048
  463   1HB   LYS  60          2HB       LYS  60   3.325  -1.165  11.668
  464   2HB   LYS  60          1HB       LYS  60   4.747  -0.187  11.351
  465   1HG   LYS  60          2HG       LYS  60   1.926   0.306  10.440
  466   2HG   LYS  60          1HG       LYS  60   2.910   1.289  11.525
  467   1HD   LYS  60          2HD       LYS  60   4.315   0.992   9.072
  468   2HD   LYS  60          1HD       LYS  60   2.658   1.472   8.703
  469   1HE   LYS  60          2HE       LYS  60   4.379   2.870  10.741
  470   2HE   LYS  60          1HE       LYS  60   4.284   3.361   9.052
  471   1HZ   LYS  60          1HZ       LYS  60   2.578   4.611   9.702
  472   2HZ   LYS  60          2HZ       LYS  60   2.427   3.815  11.187
  473   3HZ   LYS  60          3HZ       LYS  60   1.683   3.178   9.808
  474    H    LEU  61           H        LEU  61   2.248  -3.053   9.599
  475    HA   LEU  61           HA       LEU  61   0.804  -1.679   7.441
  476   1HB   LEU  61          2HB       LEU  61   0.976  -4.684   7.704
  477   2HB   LEU  61          1HB       LEU  61   0.227  -3.776   6.410
  478    HG   LEU  61           HG       LEU  61   3.076  -4.479   6.825
  479   1HD1  LEU  61          1HD1      LEU  61   1.138  -5.140   5.028
  480   2HD1  LEU  61          2HD1      LEU  61   2.874  -5.347   4.788
  481   3HD1  LEU  61          3HD1      LEU  61   2.061  -3.910   4.164
  482   1HD2  LEU  61          1HD2      LEU  61   3.329  -2.541   4.975
  483   2HD2  LEU  61          2HD2      LEU  61   3.801  -2.398   6.664
  484   3HD2  LEU  61          3HD2      LEU  61   2.237  -1.781   6.128
  485    H    TYR  62           H        TYR  62  -0.873  -0.860   8.602
  486    HA   TYR  62           HA       TYR  62  -1.998  -2.233  10.844
  487   1HB   TYR  62          2HB       TYR  62  -1.832   0.327  10.351
  488   2HB   TYR  62          1HB       TYR  62  -3.359   0.076   9.511
  489    HD1  TYR  62           1HD      TYR  62  -4.947   1.128  10.864
  490    HD2  TYR  62           2HD      TYR  62  -2.116  -1.500  12.647
  491    HE1  TYR  62           1HE      TYR  62  -6.148   1.295  13.004
  492    HE2  TYR  62           2HE      TYR  62  -3.309  -1.341  14.791
  493    HH   TYR  62           HH       TYR  62  -5.610   1.005  15.445
  494    H    TYR  63           H        TYR  63  -3.181  -1.553   7.555
  495    HA   TYR  63           HA       TYR  63  -5.632  -3.000   8.080
  496   1HB   TYR  63          2HB       TYR  63  -4.595  -1.724   5.541
  497   2HB   TYR  63          1HB       TYR  63  -6.201  -2.418   5.740
  498    HD1  TYR  63           1HD      TYR  63  -3.954   0.166   7.220
  499    HD2  TYR  63           2HD      TYR  63  -7.955  -1.049   6.443
  500    HE1  TYR  63           1HE      TYR  63  -4.762   2.318   8.075
  501    HE2  TYR  63           2HE      TYR  63  -8.773   1.109   7.302
  502    HH   TYR  63           HH       TYR  63  -6.566   3.698   8.177
  503    H    ASN  64           H        ASN  64  -6.208  -4.990   7.326
  504    HA   ASN  64           HA       ASN  64  -4.088  -6.537   5.989
  505   1HB   ASN  64          2HB       ASN  64  -6.224  -7.611   7.836
  506   2HB   ASN  64          1HB       ASN  64  -4.898  -8.525   7.116
  507   1HD2  ASN  64          1HD2      ASN  64  -4.441  -9.097   9.340
  508   2HD2  ASN  64          2HD2      ASN  64  -3.497  -8.026  10.312
  509    H    LEU  65           H        LEU  65  -5.307  -8.746   5.288
  510    HA   LEU  65           HA       LEU  65  -6.513  -8.242   2.879
  511   1HB   LEU  65          2HB       LEU  65  -6.301 -10.603   4.678
  512   2HB   LEU  65          1HB       LEU  65  -7.335 -10.710   3.274
  513    HG   LEU  65           HG       LEU  65  -4.655  -9.676   2.697
  514   1HD1  LEU  65          1HD1      LEU  65  -4.952 -12.040   4.335
  515   2HD1  LEU  65          2HD1      LEU  65  -3.492 -11.177   3.851
  516   3HD1  LEU  65          3HD1      LEU  65  -4.182 -12.407   2.792
  517   1HD2  LEU  65          1HD2      LEU  65  -4.927 -10.816   0.723
  518   2HD2  LEU  65          2HD2      LEU  65  -6.609 -10.510   1.159
  519   3HD2  LEU  65          3HD2      LEU  65  -5.892 -12.092   1.466
  520    H    ASP  66           H        ASP  66  -8.025  -8.494   6.024
  521    HA   ASP  66           HA       ASP  66 -10.671  -8.629   4.778
  522   1HB   ASP  66          2HB       ASP  66  -9.747  -9.982   6.900
  523   2HB   ASP  66          1HB       ASP  66 -10.411  -8.578   7.731
  524    H    ASP  67           H        ASP  67  -8.610  -6.412   6.472
  525    HA   ASP  67           HA       ASP  67 -10.711  -4.623   7.228
  526   1HB   ASP  67          2HB       ASP  67  -8.041  -4.915   7.915
  527   2HB   ASP  67          1HB       ASP  67  -8.093  -3.386   7.042
  528    H    ILE  68           H        ILE  68 -11.074  -2.535   6.478
  529    HA   ILE  68           HA       ILE  68 -10.552  -2.158   3.603
  530    HB   ILE  68           HB       ILE  68 -12.561  -0.475   4.988
  531   1HG1  ILE  68          2HG1      ILE  68 -13.137  -2.630   5.937
  532   2HG1  ILE  68          1HG1      ILE  68 -14.330  -2.194   4.716
  533   1HG2  ILE  68          1HG2      ILE  68 -13.613  -0.448   2.893
  534   2HG2  ILE  68          2HG2      ILE  68 -12.785  -1.910   2.364
  535   3HG2  ILE  68          3HG2      ILE  68 -11.883  -0.401   2.541
  536   1HD1  ILE  68          1HD1      ILE  68 -12.897  -4.568   4.912
  537   2HD1  ILE  68          2HD1      ILE  68 -12.194  -3.703   3.544
  538   3HD1  ILE  68          3HD1      ILE  68 -13.924  -4.042   3.578
  539    H    ALA  69           H        ALA  69  -9.734  -0.242   2.866
  540    HA   ALA  69           HA       ALA  69  -8.762   1.582   4.955
  541   1HB   ALA  69          1HB       ALA  69  -6.938   0.502   3.810
  542   2HB   ALA  69          2HB       ALA  69  -6.981   2.207   3.366
  543   3HB   ALA  69          3HB       ALA  69  -7.585   0.987   2.244
  544    H    TYR  70           H        TYR  70  -8.692   3.832   4.454
  545    HA   TYR  70           HA       TYR  70 -10.731   4.673   2.500
  546   1HB   TYR  70          2HB       TYR  70 -10.145   6.555   4.687
  547   2HB   TYR  70          1HB       TYR  70 -11.690   6.071   4.005
  548    HD1  TYR  70           1HD      TYR  70  -8.973   4.663   6.168
  549    HD2  TYR  70           2HD      TYR  70 -13.142   4.905   5.362
  550    HE1  TYR  70           1HE      TYR  70  -9.435   3.317   8.173
  551    HE2  TYR  70           2HE      TYR  70 -13.615   3.561   7.364
  552    HH   TYR  70           HH       TYR  70 -11.075   2.666   9.620
  553    H    VAL  71           H        VAL  71 -10.333   6.578   1.313
  554    HA   VAL  71           HA       VAL  71  -7.526   7.106   0.868
  555    HB   VAL  71           HB       VAL  71  -9.892   8.432  -0.458
  556   1HG1  VAL  71          1HG1      VAL  71  -7.100   8.074  -1.521
  557   2HG1  VAL  71          2HG1      VAL  71  -7.608   9.506  -0.626
  558   3HG1  VAL  71          3HG1      VAL  71  -8.386   9.100  -2.157
  559   1HG2  VAL  71          1HG2      VAL  71  -9.926   6.766  -2.079
  560   2HG2  VAL  71          2HG2      VAL  71  -9.726   5.867  -0.576
  561   3HG2  VAL  71          3HG2      VAL  71  -8.337   6.154  -1.623
  562    H    GLY  72           H        GLY  72  -6.401   8.899   1.402
  563   1HA   GLY  72          2HA       GLY  72  -6.492  11.337   1.805
  564   2HA   GLY  72          1HA       GLY  72  -7.890  11.020   2.817
  565    H    LYS  73           H        LYS  73  -5.711   8.542   3.323
  566    HA   LYS  73           HA       LYS  73  -4.041   9.954   5.205
  567   1HB   LYS  73          2HB       LYS  73  -6.415   8.431   6.041
  568   2HB   LYS  73          1HB       LYS  73  -4.943   8.052   6.924
  569   1HG   LYS  73          2HG       LYS  73  -5.727  10.902   6.543
  570   2HG   LYS  73          1HG       LYS  73  -6.544   9.925   7.765
  571   1HD   LYS  73          2HD       LYS  73  -4.367   9.378   8.762
  572   2HD   LYS  73          1HD       LYS  73  -3.569  10.390   7.556
  573   1HE   LYS  73          2HE       LYS  73  -5.576  11.983   8.690
  574   2HE   LYS  73          1HE       LYS  73  -4.816  11.139  10.038
  575   1HZ   LYS  73          1HZ       LYS  73  -3.872  13.392   9.002
  576   2HZ   LYS  73          2HZ       LYS  73  -3.010  12.276   8.068
  577   3HZ   LYS  73          3HZ       LYS  73  -2.889  12.238   9.755
  578    HA   PRO  74           HA       PRO  74  -1.032   6.951   3.931
  579   1HB   PRO  74          2HB       PRO  74  -0.296   7.336   6.821
  580   2HB   PRO  74          1HB       PRO  74   0.763   7.246   5.412
  581   1HG   PRO  74          2HG       PRO  74   0.227   9.605   6.337
  582   2HG   PRO  74          1HG       PRO  74   0.037   9.330   4.591
  583   1HD   PRO  74          2HD       PRO  74  -2.077   9.461   6.715
  584   2HD   PRO  74          1HD       PRO  74  -2.075  10.172   5.085
  585    H    LEU  75           H        LEU  75  -0.538   4.776   4.151
  586    HA   LEU  75           HA       LEU  75  -2.177   3.299   6.105
  587   1HB   LEU  75          2HB       LEU  75  -3.183   2.770   4.096
  588   2HB   LEU  75          1HB       LEU  75  -1.687   2.867   3.194
  589    HG   LEU  75           HG       LEU  75  -1.033   0.696   3.812
  590   1HD1  LEU  75          1HD1      LEU  75  -1.297   0.133   5.950
  591   2HD1  LEU  75          2HD1      LEU  75  -2.917  -0.396   5.496
  592   3HD1  LEU  75          3HD1      LEU  75  -2.670   1.222   6.152
  593   1HD2  LEU  75          1HD2      LEU  75  -2.507   0.032   2.273
  594   2HD2  LEU  75          2HD2      LEU  75  -3.765   1.108   2.884
  595   3HD2  LEU  75          3HD2      LEU  75  -3.514  -0.472   3.630
  596    H    VAL  76           H        VAL  76   0.800   3.126   4.126
  597    HA   VAL  76           HA       VAL  76   2.124   1.841   6.401
  598    HB   VAL  76           HB       VAL  76   1.555  -0.105   5.182
  599   1HG1  VAL  76          1HG1      VAL  76   2.674   0.288   2.601
  600   2HG1  VAL  76          2HG1      VAL  76   1.591   1.637   2.946
  601   3HG1  VAL  76          3HG1      VAL  76   0.994  -0.020   3.042
  602   1HG2  VAL  76          1HG2      VAL  76   3.755  -0.872   4.193
  603   2HG2  VAL  76          2HG2      VAL  76   3.807  -0.298   5.860
  604   3HG2  VAL  76          3HG2      VAL  76   4.378   0.731   4.554
  605    H    ASP  77           H        ASP  77   4.345   2.138   6.514
  606    HA   ASP  77           HA       ASP  77   5.430   4.179   4.689
  607   1HB   ASP  77          2HB       ASP  77   6.536   3.379   7.385
  608   2HB   ASP  77          1HB       ASP  77   6.972   4.789   6.425
  609    H    ILE  78           H        ILE  78   6.836   3.470   3.215
  610    HA   ILE  78           HA       ILE  78   8.484   1.122   3.867
  611    HB   ILE  78           HB       ILE  78   7.619   1.437   1.048
  612   1HG1  ILE  78          2HG1      ILE  78   5.623  -0.136   1.752
  613   2HG1  ILE  78          1HG1      ILE  78   5.791   0.691   3.295
  614   1HG2  ILE  78          1HG2      ILE  78   8.907  -0.398   1.130
  615   2HG2  ILE  78          2HG2      ILE  78   7.423  -1.182   1.670
  616   3HG2  ILE  78          3HG2      ILE  78   8.620  -0.653   2.851
  617   1HD1  ILE  78          1HD1      ILE  78   4.426   1.551   0.993
  618   2HD1  ILE  78          2HD1      ILE  78   5.796   2.636   1.235
  619   3HD1  ILE  78          3HD1      ILE  78   4.627   2.388   2.533
  620    H    GLU  79           H        GLU  79  10.525   1.015   2.872
  621    HA   GLU  79           HA       GLU  79  11.464   3.609   1.878
  622   1HB   GLU  79          2HB       GLU  79  12.640   1.454   3.464
  623   2HB   GLU  79          1HB       GLU  79  13.684   1.970   2.147
  624   1HG   GLU  79          2HG       GLU  79  12.626   4.273   3.449
  625   2HG   GLU  79          1HG       GLU  79  13.305   3.185   4.657
  626    H    THR  80           H        THR  80  11.514   3.842  -0.234
  627    HA   THR  80           HA       THR  80  12.505   1.665  -1.927
  628    HB   THR  80           HB       THR  80  10.659   2.621  -3.612
  629    HG1  THR  80           1HG      THR  80   9.487   2.893  -1.026
  630   1HG2  THR  80          1HG2      THR  80  10.988   0.277  -2.107
  631   2HG2  THR  80          2HG2      THR  80   9.963   0.501  -3.527
  632   3HG2  THR  80          3HG2      THR  80   9.297   0.736  -1.910
  633    H    GLU  81           H        GLU  81  13.283   2.412  -4.018
  634    HA   GLU  81           HA       GLU  81  14.825   4.730  -3.873
  635   1HB   GLU  81          2HB       GLU  81  14.582   2.606  -5.639
  636   2HB   GLU  81          1HB       GLU  81  14.121   3.999  -6.608
  637   1HG   GLU  81          2HG       GLU  81  16.280   4.344  -6.949
  638   2HG   GLU  81          1HG       GLU  81  16.386   4.839  -5.260
  639    H    ALA  82           H        ALA  82  14.644   6.764  -4.869
  640    HA   ALA  82           HA       ALA  82  12.313   8.146  -4.598
  641   1HB   ALA  82          1HB       ALA  82  14.386   8.767  -6.693
  642   2HB   ALA  82          2HB       ALA  82  14.558   9.135  -4.977
  643   3HB   ALA  82          3HB       ALA  82  13.278   9.900  -5.919
  644    H    LEU  83           H        LEU  83  10.385   7.794  -5.464
  645    HA   LEU  83           HA       LEU  83  10.234   7.190  -8.344
  646   1HB   LEU  83          2HB       LEU  83   9.397   5.560  -6.249
  647   2HB   LEU  83          1HB       LEU  83   7.921   6.311  -6.826
  648    HG   LEU  83           HG       LEU  83   8.418   5.502  -9.108
  649   1HD1  LEU  83          1HD1      LEU  83  10.679   3.988  -7.811
  650   2HD1  LEU  83          2HD1      LEU  83  10.882   5.415  -8.827
  651   3HD1  LEU  83          3HD1      LEU  83  10.199   3.939  -9.508
  652   1HD2  LEU  83          1HD2      LEU  83   8.426   2.933  -8.234
  653   2HD2  LEU  83          2HD2      LEU  83   7.000   3.970  -8.277
  654   3HD2  LEU  83          3HD2      LEU  83   7.914   3.788  -6.779
  655    H    LYS  84           H        LYS  84   8.898   8.406  -9.546
  656    HA   LYS  84           HA       LYS  84   8.008  10.884  -8.675
  657   1HB   LYS  84          2HB       LYS  84   8.291   9.784 -11.087
  658   2HB   LYS  84          1HB       LYS  84   6.552   9.581 -10.922
  659   1HG   LYS  84          2HG       LYS  84   6.462  12.060 -10.381
  660   2HG   LYS  84          1HG       LYS  84   8.134  12.132 -10.944
  661   1HD   LYS  84          2HD       LYS  84   7.364  11.106 -13.094
  662   2HD   LYS  84          1HD       LYS  84   5.705  11.288 -12.519
  663   1HE   LYS  84          2HE       LYS  84   6.023  13.191 -13.811
  664   2HE   LYS  84          1HE       LYS  84   6.338  13.766 -12.174
  665   1HZ   LYS  84          1HZ       LYS  84   8.043  14.605 -13.559
  666   2HZ   LYS  84          2HZ       LYS  84   8.332  13.095 -14.264
  667   3HZ   LYS  84          3HZ       LYS  84   8.744  13.365 -12.646
  668    H    ASP  85           H        ASP  85   6.507   7.791  -8.369
  669    HA   ASP  85           HA       ASP  85   3.820   8.381  -8.260
  670   1HB   ASP  85          2HB       ASP  85   5.419   6.194  -7.597
  671   2HB   ASP  85          1HB       ASP  85   4.558   6.576  -6.109
  672    H    LEU  86           H        LEU  86   6.159   8.581  -5.579
  673    HA   LEU  86           HA       LEU  86   4.208  10.262  -4.146
  674   1HB   LEU  86          2HB       LEU  86   5.670   7.951  -3.297
  675   2HB   LEU  86          1HB       LEU  86   6.179   9.330  -2.341
  676    HG   LEU  86           HG       LEU  86   3.465   9.608  -2.266
  677   1HD1  LEU  86          1HD1      LEU  86   3.050   7.527  -3.417
  678   2HD1  LEU  86          2HD1      LEU  86   2.553   7.385  -1.731
  679   3HD1  LEU  86          3HD1      LEU  86   4.065   6.655  -2.268
  680   1HD2  LEU  86          1HD2      LEU  86   5.161   9.665  -0.407
  681   2HD2  LEU  86          2HD2      LEU  86   5.015   7.909  -0.323
  682   3HD2  LEU  86          3HD2      LEU  86   3.612   8.928   0.003
  683    H    GLU  87           H        GLU  87   7.486   9.955  -5.279
  684    HA   GLU  87           HA       GLU  87   8.010  12.661  -5.379
  685   1HB   GLU  87          2HB       GLU  87   9.698  12.770  -3.428
  686   2HB   GLU  87          1HB       GLU  87   7.988  12.953  -3.063
  687   1HG   GLU  87          2HG       GLU  87   7.846  10.912  -2.029
  688   2HG   GLU  87          1HG       GLU  87   9.214  10.245  -2.919
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -20.588  -9.920   2.323
    2   2H    MET   1          2HT       MET   1 -19.974  -8.493   2.988
    3   3H    MET   1          3HT       MET   1 -19.952  -9.922   3.890
    4    HA   MET   1           HA       MET   1 -18.580 -10.765   1.828
    5   1HB   MET   1          2HB       MET   1 -18.271  -7.772   1.942
    6   2HB   MET   1          1HB       MET   1 -17.012  -8.804   1.271
    7   1HG   MET   1          2HG       MET   1 -19.624  -9.427   0.171
    8   2HG   MET   1          1HG       MET   1 -19.182  -7.738  -0.077
    9   1HE   MET   1          1HE       MET   1 -16.318  -7.387  -1.825
   10   2HE   MET   1          2HE       MET   1 -17.966  -6.862  -1.480
   11   3HE   MET   1          3HE       MET   1 -17.592  -7.630  -3.023
   12    H    GLY   2           H        GLY   2 -17.370  -8.045   3.768
   13   1HA   GLY   2          2HA       GLY   2 -16.058  -7.975   5.665
   14   2HA   GLY   2          1HA       GLY   2 -16.338  -9.698   5.873
   15    H    GLN   3           H        GLN   3 -15.199  -9.175   2.777
   16    HA   GLN   3           HA       GLN   3 -12.526 -10.108   3.505
   17   1HB   GLN   3          2HB       GLN   3 -13.744  -9.743   0.767
   18   2HB   GLN   3          1HB       GLN   3 -12.243 -10.579   1.148
   19   1HG   GLN   3          2HG       GLN   3 -13.879 -11.972   2.700
   20   2HG   GLN   3          1HG       GLN   3 -15.047 -11.442   1.486
   21   1HE2  GLN   3          1HE2      GLN   3 -14.895 -12.217  -0.611
   22   2HE2  GLN   3          2HE2      GLN   3 -13.865 -13.534  -1.042
   23    H    VAL   4           H        VAL   4 -10.611  -9.117   2.726
   24    HA   VAL   4           HA       VAL   4 -10.893  -6.358   1.761
   25    HB   VAL   4           HB       VAL   4  -9.163  -5.554   3.294
   26   1HG1  VAL   4          1HG1      VAL   4 -10.742  -4.952   4.722
   27   2HG1  VAL   4          2HG1      VAL   4 -10.852  -6.588   5.374
   28   3HG1  VAL   4          3HG1      VAL   4 -11.811  -6.136   3.964
   29   1HG2  VAL   4          1HG2      VAL   4  -9.168  -8.391   4.228
   30   2HG2  VAL   4          2HG2      VAL   4  -8.705  -7.092   5.329
   31   3HG2  VAL   4          3HG2      VAL   4  -7.804  -7.342   3.830
   32    H    VAL   5           H        VAL   5  -9.185  -5.610   0.508
   33    HA   VAL   5           HA       VAL   5  -7.373  -7.692  -0.472
   34    HB   VAL   5           HB       VAL   5  -6.852  -6.055  -2.305
   35   1HG1  VAL   5          1HG1      VAL   5  -9.550  -6.155  -2.974
   36   2HG1  VAL   5          2HG1      VAL   5  -9.298  -7.529  -1.898
   37   3HG1  VAL   5          3HG1      VAL   5  -8.321  -7.359  -3.355
   38   1HG2  VAL   5          1HG2      VAL   5  -7.528  -4.019  -1.063
   39   2HG2  VAL   5          2HG2      VAL   5  -9.211  -4.513  -1.239
   40   3HG2  VAL   5          3HG2      VAL   5  -8.248  -4.139  -2.667
   41    H    GLN   6           H        GLN   6  -5.305  -7.654   0.172
   42    HA   GLN   6           HA       GLN   6  -4.401  -5.309   1.657
   43   1HB   GLN   6          2HB       GLN   6  -3.526  -8.180   1.617
   44   2HB   GLN   6          1HB       GLN   6  -2.553  -6.938   2.390
   45   1HG   GLN   6          2HG       GLN   6  -3.946  -6.776   4.168
   46   2HG   GLN   6          1HG       GLN   6  -5.391  -6.994   3.186
   47   1HE2  GLN   6          1HE2      GLN   6  -5.016  -9.411   2.037
   48   2HE2  GLN   6          2HE2      GLN   6  -4.957 -10.636   3.255
   49    H    PHE   7           H        PHE   7  -2.501  -4.257   1.289
   50    HA   PHE   7           HA       PHE   7  -1.294  -4.740  -1.343
   51   1HB   PHE   7          2HB       PHE   7  -2.008  -2.524  -1.373
   52   2HB   PHE   7          1HB       PHE   7  -1.672  -2.290   0.335
   53    HD1  PHE   7           1HD      PHE   7   0.015  -0.862   0.843
   54    HD2  PHE   7           2HD      PHE   7   0.282  -3.102  -2.775
   55    HE1  PHE   7           1HE      PHE   7   2.124   0.261   0.308
   56    HE2  PHE   7           2HE      PHE   7   2.406  -1.959  -3.315
   57    HZ   PHE   7           HZ       PHE   7   3.330  -0.285  -1.760
   58    H    LYS   8           H        LYS   8   0.845  -5.060  -1.580
   59    HA   LYS   8           HA       LYS   8   2.517  -5.194   0.847
   60   1HB   LYS   8          2HB       LYS   8   3.603  -7.181  -0.080
   61   2HB   LYS   8          1HB       LYS   8   1.892  -7.452   0.214
   62   1HG   LYS   8          2HG       LYS   8   2.523  -6.535  -2.499
   63   2HG   LYS   8          1HG       LYS   8   3.177  -8.119  -2.072
   64   1HD   LYS   8          2HD       LYS   8   0.342  -7.478  -1.426
   65   2HD   LYS   8          1HD       LYS   8   0.781  -7.901  -3.083
   66   1HE   LYS   8          2HE       LYS   8   1.420  -9.580  -0.662
   67   2HE   LYS   8          1HE       LYS   8   0.022  -9.830  -1.701
   68   1HZ   LYS   8          1HZ       LYS   8   1.268 -10.981  -3.096
   69   2HZ   LYS   8          2HZ       LYS   8   2.571 -10.848  -2.021
   70   3HZ   LYS   8          3HZ       LYS   8   2.373  -9.707  -3.253
   71    H    LEU   9           H        LEU   9   4.673  -4.627   0.598
   72    HA   LEU   9           HA       LEU   9   5.376  -2.634  -1.136
   73   1HB   LEU   9          2HB       LEU   9   6.543  -3.387   0.934
   74   2HB   LEU   9          1HB       LEU   9   7.233  -4.706   0.013
   75    HG   LEU   9           HG       LEU   9   8.788  -2.825   0.376
   76   1HD1  LEU   9          1HD1      LEU   9   8.376  -4.310  -1.899
   77   2HD1  LEU   9          2HD1      LEU   9   9.805  -3.373  -1.505
   78   3HD1  LEU   9          3HD1      LEU   9   8.539  -2.663  -2.503
   79   1HD2  LEU   9          1HD2      LEU   9   8.063  -0.746   0.179
   80   2HD2  LEU   9          2HD2      LEU   9   6.551  -1.290  -0.549
   81   3HD2  LEU   9          3HD2      LEU   9   7.957  -0.988  -1.565
   82    H    SER  10           H        SER  10   5.745  -2.534  -3.235
   83    HA   SER  10           HA       SER  10   6.554  -4.994  -4.650
   84   1HB   SER  10          2HB       SER  10   5.413  -3.538  -6.623
   85   2HB   SER  10          1HB       SER  10   4.519  -4.706  -5.642
   86    HG   SER  10           HG       SER  10   3.346  -3.057  -5.067
   87    H    ASP  11           H        ASP  11   7.570  -4.470  -6.833
   88    HA   ASP  11           HA       ASP  11   9.028  -3.330  -8.191
   89   1HB   ASP  11          2HB       ASP  11   8.065  -1.198  -7.072
   90   2HB   ASP  11          1HB       ASP  11   9.539  -1.236  -6.102
   91    H    ILE  12           H        ILE  12   9.617  -4.350  -5.004
   92    HA   ILE  12           HA       ILE  12  12.520  -4.477  -5.500
   93    HB   ILE  12           HB       ILE  12  11.034  -4.553  -2.868
   94   1HG1  ILE  12          2HG1      ILE  12  13.227  -2.654  -3.563
   95   2HG1  ILE  12          1HG1      ILE  12  11.627  -2.377  -4.246
   96   1HG2  ILE  12          1HG2      ILE  12  12.816  -6.061  -2.516
   97   2HG2  ILE  12          2HG2      ILE  12  13.438  -4.521  -1.921
   98   3HG2  ILE  12          3HG2      ILE  12  13.920  -5.112  -3.506
   99   1HD1  ILE  12          1HD1      ILE  12  12.424  -1.333  -1.945
  100   2HD1  ILE  12          2HD1      ILE  12  11.780  -2.862  -1.334
  101   3HD1  ILE  12          3HD1      ILE  12  10.746  -1.773  -2.266
  102    H    GLY  13           H        GLY  13  13.660  -6.395  -5.218
  103   1HA   GLY  13          2HA       GLY  13  11.979  -8.807  -5.193
  104   2HA   GLY  13          1HA       GLY  13  13.520  -8.667  -6.027
  105    H    GLU  14           H        GLU  14  12.232 -10.289  -3.660
  106    HA   GLU  14           HA       GLU  14  13.539  -9.866  -1.297
  107   1HB   GLU  14          2HB       GLU  14  12.073 -11.955  -2.487
  108   2HB   GLU  14          1HB       GLU  14  13.538 -12.685  -1.849
  109   1HG   GLU  14          2HG       GLU  14  11.672 -10.937  -0.263
  110   2HG   GLU  14          1HG       GLU  14  11.640 -12.698  -0.267
  111    H    GLY  15           H        GLY  15  15.657  -9.099  -1.452
  112   1HA   GLY  15          2HA       GLY  15  17.787 -10.662  -1.085
  113   2HA   GLY  15          1HA       GLY  15  17.622 -10.757  -2.833
  114    H    ILE  16           H        ILE  16  16.560  -7.915  -2.713
  115    HA   ILE  16           HA       ILE  16  19.196  -6.627  -2.733
  116    HB   ILE  16           HB       ILE  16  18.315  -5.046  -4.291
  117   1HG1  ILE  16          2HG1      ILE  16  15.608  -6.380  -4.156
  118   2HG1  ILE  16          1HG1      ILE  16  16.010  -4.969  -3.181
  119   1HG2  ILE  16          1HG2      ILE  16  18.175  -7.897  -4.783
  120   2HG2  ILE  16          2HG2      ILE  16  18.893  -6.607  -5.746
  121   3HG2  ILE  16          3HG2      ILE  16  17.173  -6.965  -5.899
  122   1HD1  ILE  16          1HD1      ILE  16  14.775  -4.638  -5.403
  123   2HD1  ILE  16          2HD1      ILE  16  16.345  -4.929  -6.147
  124   3HD1  ILE  16          3HD1      ILE  16  16.138  -3.579  -5.031
  125    H    ARG  17           H        ARG  17  18.154  -3.956  -2.766
  126    HA   ARG  17           HA       ARG  17  17.853  -3.599   0.064
  127   1HB   ARG  17          2HB       ARG  17  18.737  -2.015  -2.138
  128   2HB   ARG  17          1HB       ARG  17  17.438  -1.156  -1.324
  129   1HG   ARG  17          2HG       ARG  17  18.674  -1.562   0.828
  130   2HG   ARG  17          1HG       ARG  17  20.049  -2.082  -0.141
  131   1HD   ARG  17          2HD       ARG  17  18.828   0.615   0.159
  132   2HD   ARG  17          1HD       ARG  17  20.523   0.148   0.184
  133    HE   ARG  17           HE       ARG  17  20.563   0.188  -2.136
  134   1HH1  ARG  17          1HH1      ARG  17  17.307   0.764  -0.960
  135   2HH1  ARG  17          2HH1      ARG  17  16.763   1.403  -2.475
  136   1HH2  ARG  17          1HH2      ARG  17  19.827   1.037  -4.098
  137   2HH2  ARG  17          2HH2      ARG  17  18.180   1.558  -4.241
  138    H    GLU  18           H        GLU  18  16.091  -2.484   1.087
  139    HA   GLU  18           HA       GLU  18  13.539  -3.015  -0.260
  140   1HB   GLU  18          2HB       GLU  18  14.113  -2.440   2.648
  141   2HB   GLU  18          1HB       GLU  18  12.553  -2.904   1.980
  142   1HG   GLU  18          2HG       GLU  18  15.017  -4.608   1.795
  143   2HG   GLU  18          1HG       GLU  18  13.836  -4.733   3.102
  144    H    VAL  19           H        VAL  19  11.703  -1.343   0.501
  145    HA   VAL  19           HA       VAL  19  12.955   1.318   0.209
  146    HB   VAL  19           HB       VAL  19  11.993   0.530  -1.924
  147   1HG1  VAL  19          1HG1      VAL  19   9.251   1.040  -0.877
  148   2HG1  VAL  19          2HG1      VAL  19   9.981  -0.549  -0.629
  149   3HG1  VAL  19          3HG1      VAL  19   9.775   0.081  -2.265
  150   1HG2  VAL  19          1HG2      VAL  19  10.960   2.615  -2.484
  151   2HG2  VAL  19          2HG2      VAL  19  12.235   2.917  -1.309
  152   3HG2  VAL  19          3HG2      VAL  19  10.556   2.916  -0.795
  153    H    THR  20           H        THR  20  11.893   3.121   0.956
  154    HA   THR  20           HA       THR  20  10.123   2.621   3.226
  155    HB   THR  20           HB       THR  20  11.117   5.347   2.734
  156    HG1  THR  20           1HG      THR  20  12.968   4.308   2.086
  157   1HG2  THR  20          1HG2      THR  20  11.304   3.564   5.150
  158   2HG2  THR  20          2HG2      THR  20   9.953   4.634   4.792
  159   3HG2  THR  20          3HG2      THR  20  11.553   5.308   5.099
  160    H    VAL  21           H        VAL  21   8.423   4.150   3.640
  161    HA   VAL  21           HA       VAL  21   6.931   4.739   1.211
  162    HB   VAL  21           HB       VAL  21   6.131   5.228   4.078
  163   1HG1  VAL  21          1HG1      VAL  21   4.658   6.489   2.834
  164   2HG1  VAL  21          2HG1      VAL  21   3.801   4.950   2.913
  165   3HG1  VAL  21          3HG1      VAL  21   4.696   5.385   1.463
  166   1HG2  VAL  21          1HG2      VAL  21   4.783   3.093   3.723
  167   2HG2  VAL  21          2HG2      VAL  21   6.523   2.900   3.941
  168   3HG2  VAL  21          3HG2      VAL  21   5.820   2.798   2.327
  169    H    LYS  22           H        LYS  22   6.863   6.722   0.284
  170    HA   LYS  22           HA       LYS  22   8.229   8.917   1.645
  171   1HB   LYS  22          2HB       LYS  22   8.648   8.121  -0.787
  172   2HB   LYS  22          1HB       LYS  22   7.190   9.022  -1.167
  173   1HG   LYS  22          2HG       LYS  22   9.139  10.374  -1.613
  174   2HG   LYS  22          1HG       LYS  22   8.217  11.051  -0.274
  175   1HD   LYS  22          2HD       LYS  22   9.803  10.505   1.284
  176   2HD   LYS  22          1HD       LYS  22  10.429   9.162   0.332
  177   1HE   LYS  22          2HE       LYS  22  11.987  11.062   0.483
  178   2HE   LYS  22          1HE       LYS  22  11.517  10.685  -1.171
  179   1HZ   LYS  22          1HZ       LYS  22  11.278  13.098   0.218
  180   2HZ   LYS  22          2HZ       LYS  22   9.722  12.574  -0.189
  181   3HZ   LYS  22          3HZ       LYS  22  10.893  12.771  -1.394
  182    H    GLU  23           H        GLU  23   5.046   7.995   0.590
  183    HA   GLU  23           HA       GLU  23   3.970  10.452   1.799
  184   1HB   GLU  23          2HB       GLU  23   4.112  10.180  -0.924
  185   2HB   GLU  23          1HB       GLU  23   2.499   9.561  -0.577
  186   1HG   GLU  23          2HG       GLU  23   1.706  11.576  -0.026
  187   2HG   GLU  23          1HG       GLU  23   3.176  12.033   0.832
  188    H    TRP  24           H        TRP  24   2.374  10.023   3.179
  189    HA   TRP  24           HA       TRP  24   0.870   7.505   2.862
  190   1HB   TRP  24          2HB       TRP  24   2.313   8.611   5.188
  191   2HB   TRP  24          1HB       TRP  24   0.693   8.006   5.537
  192    HD1  TRP  24           HD       TRP  24   4.126   6.887   5.432
  193    HE1  TRP  24           1HE      TRP  24   4.285   4.324   5.290
  194    HE3  TRP  24           3HE      TRP  24  -0.720   5.841   4.144
  195    HZ2  TRP  24           2HZ      TRP  24   2.609   2.172   4.708
  196    HZ3  TRP  24           3HZ      TRP  24  -1.346   3.477   3.821
  197    HH2  TRP  24           HH       TRP  24   0.290   1.691   4.092
  198    H    TYR  25           H        TYR  25  -1.188   7.963   2.350
  199    HA   TYR  25           HA       TYR  25  -2.366  10.396   3.525
  200   1HB   TYR  25          2HB       TYR  25  -2.571   9.249   0.769
  201   2HB   TYR  25          1HB       TYR  25  -3.881  10.243   1.402
  202    HD1  TYR  25           1HD      TYR  25  -2.793  12.414   2.753
  203    HD2  TYR  25           2HD      TYR  25  -1.164  10.412  -0.626
  204    HE1  TYR  25           1HE      TYR  25  -1.550  14.443   2.168
  205    HE2  TYR  25           2HE      TYR  25   0.110  12.444  -1.218
  206    HH   TYR  25           HH       TYR  25   0.278  14.731  -0.817
  207    H    VAL  26           H        VAL  26  -2.464   7.633   4.617
  208    HA   VAL  26           HA       VAL  26  -5.352   7.568   4.940
  209    HB   VAL  26           HB       VAL  26  -5.624   5.230   4.452
  210   1HG1  VAL  26          1HG1      VAL  26  -5.224   5.266   2.026
  211   2HG1  VAL  26          2HG1      VAL  26  -4.201   6.685   2.243
  212   3HG1  VAL  26          3HG1      VAL  26  -5.924   6.774   2.620
  213   1HG2  VAL  26          1HG2      VAL  26  -2.862   5.056   4.804
  214   2HG2  VAL  26          2HG2      VAL  26  -3.125   4.723   3.095
  215   3HG2  VAL  26          3HG2      VAL  26  -3.945   3.754   4.316
  216    H    LYS  27           H        LYS  27  -6.013   5.906   6.645
  217    HA   LYS  27           HA       LYS  27  -3.862   5.201   8.459
  218   1HB   LYS  27          2HB       LYS  27  -5.580   7.488   8.933
  219   2HB   LYS  27          1HB       LYS  27  -5.706   6.307  10.237
  220   1HG   LYS  27          2HG       LYS  27  -2.981   7.024   9.282
  221   2HG   LYS  27          1HG       LYS  27  -3.858   8.232  10.221
  222   1HD   LYS  27          2HD       LYS  27  -4.122   6.611  12.050
  223   2HD   LYS  27          1HD       LYS  27  -3.297   5.391  11.075
  224   1HE   LYS  27          2HE       LYS  27  -1.928   7.983  11.595
  225   2HE   LYS  27          1HE       LYS  27  -1.969   6.773  12.876
  226   1HZ   LYS  27          1HZ       LYS  27  -0.141   6.039  11.844
  227   2HZ   LYS  27          2HZ       LYS  27  -0.532   6.752  10.361
  228   3HZ   LYS  27          3HZ       LYS  27  -1.242   5.284  10.806
  229    H    GLU  28           H        GLU  28  -4.601   3.877  10.284
  230    HA   GLU  28           HA       GLU  28  -6.148   1.720   9.440
  231   1HB   GLU  28          2HB       GLU  28  -5.914   2.439  12.346
  232   2HB   GLU  28          1HB       GLU  28  -5.917   0.845  11.617
  233   1HG   GLU  28          2HG       GLU  28  -3.702   1.622  10.532
  234   2HG   GLU  28          1HG       GLU  28  -3.705   2.831  11.809
  235    H    GLY  29           H        GLY  29  -8.291   1.153   9.660
  236   1HA   GLY  29          2HA       GLY  29 -10.547   1.414  10.043
  237   2HA   GLY  29          1HA       GLY  29 -10.128   2.567  11.299
  238    H    ASP  30           H        ASP  30  -8.693   3.537   8.455
  239    HA   ASP  30           HA       ASP  30 -10.759   5.566   8.072
  240   1HB   ASP  30          2HB       ASP  30  -8.206   5.983   8.477
  241   2HB   ASP  30          1HB       ASP  30  -8.082   5.666   6.747
  242    H    THR  31           H        THR  31 -11.421   6.182   5.989
  243    HA   THR  31           HA       THR  31 -11.358   3.959   4.078
  244    HB   THR  31           HB       THR  31 -13.200   6.339   3.982
  245    HG1  THR  31           1HG      THR  31 -13.927   5.555   5.806
  246   1HG2  THR  31          1HG2      THR  31 -14.574   4.988   2.601
  247   2HG2  THR  31          2HG2      THR  31 -13.638   3.533   2.958
  248   3HG2  THR  31          3HG2      THR  31 -12.933   4.819   1.976
  249    H    VAL  32           H        VAL  32 -10.863   4.298   1.935
  250    HA   VAL  32           HA       VAL  32  -9.367   6.767   1.400
  251    HB   VAL  32           HB       VAL  32  -8.777   5.026  -0.687
  252   1HG1  VAL  32          1HG1      VAL  32  -7.370   6.635   0.692
  253   2HG1  VAL  32          2HG1      VAL  32  -6.583   5.153   0.164
  254   3HG1  VAL  32          3HG1      VAL  32  -7.155   5.302   1.821
  255   1HG2  VAL  32          1HG2      VAL  32  -8.003   2.967   0.403
  256   2HG2  VAL  32          2HG2      VAL  32  -9.759   3.117   0.486
  257   3HG2  VAL  32          3HG2      VAL  32  -8.772   3.472   1.904
  258    H    SER  33           H        SER  33  -9.342   7.464  -0.930
  259    HA   SER  33           HA       SER  33 -11.895   6.954  -2.297
  260   1HB   SER  33          2HB       SER  33 -11.783   9.124  -0.817
  261   2HB   SER  33          1HB       SER  33 -10.819   9.758  -2.144
  262    HG   SER  33           HG       SER  33 -12.556   9.482  -3.506
  263    H    GLN  34           H        GLN  34 -11.821   7.924  -4.605
  264    HA   GLN  34           HA       GLN  34  -9.627   6.888  -5.990
  265   1HB   GLN  34          2HB       GLN  34 -11.921   7.309  -6.905
  266   2HB   GLN  34          1HB       GLN  34 -11.487   9.007  -7.057
  267   1HG   GLN  34          2HG       GLN  34  -9.436   7.429  -8.239
  268   2HG   GLN  34          1HG       GLN  34 -10.991   6.889  -8.865
  269   1HE2  GLN  34          1HE2      GLN  34 -11.974   8.076 -10.387
  270   2HE2  GLN  34          2HE2      GLN  34 -11.429   9.616 -10.951
  271    H    PHE  35           H        PHE  35  -9.922   9.903  -4.411
  272    HA   PHE  35           HA       PHE  35  -7.686  11.029  -5.932
  273   1HB   PHE  35          2HB       PHE  35  -9.894  12.225  -4.333
  274   2HB   PHE  35          1HB       PHE  35  -8.351  13.075  -4.339
  275    HD1  PHE  35           1HD      PHE  35  -9.995  11.105  -7.017
  276    HD2  PHE  35           2HD      PHE  35  -8.683  14.937  -5.689
  277    HE1  PHE  35           1HE      PHE  35 -10.551  12.049  -9.223
  278    HE2  PHE  35           2HE      PHE  35  -9.221  15.883  -7.909
  279    HZ   PHE  35           HZ       PHE  35 -10.162  14.443  -9.668
  280    H    ASP  36           H        ASP  36  -8.479   9.612  -2.906
  281    HA   ASP  36           HA       ASP  36  -6.020  10.604  -1.659
  282   1HB   ASP  36          2HB       ASP  36  -8.585   9.474  -0.610
  283   2HB   ASP  36          1HB       ASP  36  -7.124   9.250   0.351
  284    H    SER  37           H        SER  37  -4.322   9.409  -2.241
  285    HA   SER  37           HA       SER  37  -4.457   6.628  -2.865
  286   1HB   SER  37          2HB       SER  37  -1.777   7.154  -2.529
  287   2HB   SER  37          1HB       SER  37  -2.678   7.374  -4.030
  288    HG   SER  37           HG       SER  37  -2.061   9.371  -3.828
  289    H    ILE  38           H        ILE  38  -3.148   4.947  -1.776
  290    HA   ILE  38           HA       ILE  38  -3.466   5.171   1.098
  291    HB   ILE  38           HB       ILE  38  -2.625   2.788  -0.562
  292   1HG1  ILE  38          2HG1      ILE  38  -5.254   3.817   0.460
  293   2HG1  ILE  38          1HG1      ILE  38  -4.837   3.277  -1.159
  294   1HG2  ILE  38          1HG2      ILE  38  -3.764   2.222   2.039
  295   2HG2  ILE  38          2HG2      ILE  38  -2.301   3.196   2.169
  296   3HG2  ILE  38          3HG2      ILE  38  -2.255   1.651   1.326
  297   1HD1  ILE  38          1HD1      ILE  38  -5.794   1.765   1.165
  298   2HD1  ILE  38          2HD1      ILE  38  -4.534   0.973   0.216
  299   3HD1  ILE  38          3HD1      ILE  38  -6.034   1.480  -0.556
  300    H    CYS  39           H        CYS  39  -0.851   3.528  -0.649
  301    HA   CYS  39           HA       CYS  39   1.066   5.028   1.004
  302   1HB   CYS  39          2HB       CYS  39   0.861   2.712   1.764
  303   2HB   CYS  39          1HB       CYS  39   1.232   2.125   0.145
  304    HG   CYS  39           HG       CYS  39   3.781   2.148   0.396
  305    H    GLU  40           H        GLU  40   2.845   5.846   0.018
  306    HA   GLU  40           HA       GLU  40   3.335   5.123  -2.782
  307   1HB   GLU  40          2HB       GLU  40   3.647   7.958  -1.793
  308   2HB   GLU  40          1HB       GLU  40   3.609   7.375  -3.451
  309   1HG   GLU  40          2HG       GLU  40   1.254   6.852  -3.235
  310   2HG   GLU  40          1HG       GLU  40   1.275   7.376  -1.555
  311    H    VAL  41           H        VAL  41   5.337   4.480  -3.098
  312    HA   VAL  41           HA       VAL  41   7.416   5.379  -1.209
  313    HB   VAL  41           HB       VAL  41   8.571   3.255  -1.524
  314   1HG1  VAL  41          1HG1      VAL  41   6.349   1.818  -0.750
  315   2HG1  VAL  41          2HG1      VAL  41   5.933   3.483  -0.330
  316   3HG1  VAL  41          3HG1      VAL  41   7.408   2.757   0.305
  317   1HG2  VAL  41          1HG2      VAL  41   6.485   1.710  -2.746
  318   2HG2  VAL  41          2HG2      VAL  41   8.169   1.911  -3.239
  319   3HG2  VAL  41          3HG2      VAL  41   6.948   3.049  -3.796
  320    H    GLN  42           H        GLN  42   9.390   5.931  -2.019
  321    HA   GLN  42           HA       GLN  42   9.623   5.989  -4.943
  322   1HB   GLN  42          2HB       GLN  42   9.785   8.187  -2.991
  323   2HB   GLN  42          1HB       GLN  42  11.053   8.182  -4.208
  324   1HG   GLN  42          2HG       GLN  42   9.627   8.630  -5.903
  325   2HG   GLN  42          1HG       GLN  42   8.276   7.784  -5.139
  326   1HE2  GLN  42          1HE2      GLN  42   6.856   9.445  -5.487
  327   2HE2  GLN  42          2HE2      GLN  42   6.940  10.950  -4.646
  328    H    SER  43           H        SER  43  11.490   5.262  -5.765
  329    HA   SER  43           HA       SER  43  13.715   4.771  -3.899
  330   1HB   SER  43          2HB       SER  43  12.350   3.007  -5.768
  331   2HB   SER  43          1HB       SER  43  14.089   3.059  -6.055
  332    HG   SER  43           HG       SER  43  14.453   2.387  -3.977
  333    H    ASP  44           H        ASP  44  15.829   4.997  -4.707
  334    HA   ASP  44           HA       ASP  44  16.250   7.264  -6.246
  335   1HB   ASP  44          2HB       ASP  44  18.603   6.630  -6.273
  336   2HB   ASP  44          1HB       ASP  44  17.903   6.369  -4.682
  337    H    LYS  45           H        LYS  45  15.664   4.018  -7.273
  338    HA   LYS  45           HA       LYS  45  16.642   4.618  -9.962
  339   1HB   LYS  45          2HB       LYS  45  16.395   2.225 -10.395
  340   2HB   LYS  45          1HB       LYS  45  17.359   2.512  -8.951
  341   1HG   LYS  45          2HG       LYS  45  15.087   2.233  -7.722
  342   2HG   LYS  45          1HG       LYS  45  14.606   1.408  -9.197
  343   1HD   LYS  45          2HD       LYS  45  16.880   0.134  -8.832
  344   2HD   LYS  45          1HD       LYS  45  16.626   0.620  -7.154
  345   1HE   LYS  45          2HE       LYS  45  14.943  -0.836  -6.865
  346   2HE   LYS  45          1HE       LYS  45  14.232  -0.481  -8.440
  347   1HZ   LYS  45          1HZ       LYS  45  16.107  -2.571  -7.674
  348   2HZ   LYS  45          2HZ       LYS  45  16.416  -1.832  -9.163
  349   3HZ   LYS  45          3HZ       LYS  45  14.920  -2.572  -8.883
  350    H    ALA  46           H        ALA  46  13.673   3.563  -8.312
  351    HA   ALA  46           HA       ALA  46  12.130   4.681 -10.524
  352   1HB   ALA  46          1HB       ALA  46  12.130   2.485 -11.278
  353   2HB   ALA  46          2HB       ALA  46  10.622   2.588 -10.367
  354   3HB   ALA  46          3HB       ALA  46  12.037   1.815  -9.648
  355    H    SER  47           H        SER  47  10.198   5.535  -9.966
  356    HA   SER  47           HA       SER  47   9.636   5.705  -7.088
  357   1HB   SER  47          2HB       SER  47   8.220   7.376  -9.120
  358   2HB   SER  47          1HB       SER  47   8.724   7.794  -7.482
  359    HG   SER  47           HG       SER  47  10.220   7.771  -9.860
  360    H    VAL  48           H        VAL  48   7.691   5.041  -6.254
  361    HA   VAL  48           HA       VAL  48   5.680   3.966  -8.118
  362    HB   VAL  48           HB       VAL  48   6.132   2.626  -5.484
  363   1HG1  VAL  48          1HG1      VAL  48   4.186   1.885  -6.507
  364   2HG1  VAL  48          2HG1      VAL  48   5.372   0.661  -6.954
  365   3HG1  VAL  48          3HG1      VAL  48   4.905   1.900  -8.118
  366   1HG2  VAL  48          1HG2      VAL  48   7.448   1.034  -7.341
  367   2HG2  VAL  48          2HG2      VAL  48   8.203   1.979  -6.057
  368   3HG2  VAL  48          3HG2      VAL  48   8.029   2.662  -7.672
  369    H    THR  49           H        THR  49   3.579   4.100  -7.534
  370    HA   THR  49           HA       THR  49   2.907   5.408  -5.001
  371    HB   THR  49           HB       THR  49   1.476   7.040  -6.024
  372    HG1  THR  49           1HG      THR  49   2.279   6.143  -8.603
  373   1HG2  THR  49          1HG2      THR  49   4.168   7.176  -6.118
  374   2HG2  THR  49          2HG2      THR  49   3.114   8.494  -6.636
  375   3HG2  THR  49          3HG2      THR  49   3.788   7.384  -7.826
  376    H    ILE  50           H        ILE  50   1.160   4.491  -4.070
  377    HA   ILE  50           HA       ILE  50  -0.292   2.489  -5.630
  378    HB   ILE  50           HB       ILE  50  -0.367   2.950  -2.647
  379   1HG1  ILE  50          2HG1      ILE  50   1.878   2.251  -3.558
  380   2HG1  ILE  50          1HG1      ILE  50   1.159   1.098  -2.437
  381   1HG2  ILE  50          1HG2      ILE  50  -2.339   1.809  -3.768
  382   2HG2  ILE  50          2HG2      ILE  50  -1.543   0.930  -2.465
  383   3HG2  ILE  50          3HG2      ILE  50  -1.231   0.483  -4.142
  384   1HD1  ILE  50          1HD1      ILE  50   1.008   0.868  -5.426
  385   2HD1  ILE  50          2HD1      ILE  50   0.504  -0.338  -4.240
  386   3HD1  ILE  50          3HD1      ILE  50   2.214   0.067  -4.422
  387    H    THR  51           H        THR  51  -2.016   3.225  -6.634
  388    HA   THR  51           HA       THR  51  -3.664   5.325  -5.438
  389    HB   THR  51           HB       THR  51  -4.681   4.322  -7.969
  390    HG1  THR  51           1HG      THR  51  -2.920   4.356  -9.188
  391   1HG2  THR  51          1HG2      THR  51  -5.173   6.515  -8.225
  392   2HG2  THR  51          2HG2      THR  51  -3.497   6.999  -7.954
  393   3HG2  THR  51          3HG2      THR  51  -4.565   6.719  -6.581
  394    H    SER  52           H        SER  52  -6.083   5.006  -5.861
  395    HA   SER  52           HA       SER  52  -6.834   2.303  -4.940
  396   1HB   SER  52          2HB       SER  52  -7.316   4.832  -3.784
  397   2HB   SER  52          1HB       SER  52  -8.866   4.281  -4.414
  398    HG   SER  52           HG       SER  52  -8.932   2.829  -2.901
  399    H    ARG  53           H        ARG  53  -7.957   5.091  -6.863
  400    HA   ARG  53           HA       ARG  53  -9.260   5.212  -8.715
  401   1HB   ARG  53          2HB       ARG  53  -9.085   3.556 -10.287
  402   2HB   ARG  53          1HB       ARG  53  -7.818   3.029  -9.196
  403   1HG   ARG  53          2HG       ARG  53  -8.808   1.029  -9.203
  404   2HG   ARG  53          1HG       ARG  53 -10.075   1.754  -8.225
  405   1HD   ARG  53          2HD       ARG  53 -11.123   2.470 -10.441
  406   2HD   ARG  53          1HD       ARG  53 -10.031   1.298 -11.175
  407    HE   ARG  53           HE       ARG  53 -11.506   0.173  -9.012
  408   1HH1  ARG  53          1HH1      ARG  53 -11.723   1.080 -12.364
  409   2HH1  ARG  53          2HH1      ARG  53 -12.941  -0.089 -12.742
  410   1HH2  ARG  53          1HH2      ARG  53 -13.142  -1.376  -9.498
  411   2HH2  ARG  53          2HH2      ARG  53 -13.737  -1.490 -11.121
  412    H    TYR  54           H        TYR  54 -10.196   4.274  -5.887
  413    HA   TYR  54           HA       TYR  54 -12.952   4.520  -6.323
  414   1HB   TYR  54          2HB       TYR  54 -11.941   1.860  -6.656
  415   2HB   TYR  54          1HB       TYR  54 -12.835   1.924  -5.139
  416    HD1  TYR  54           1HD      TYR  54 -13.399   0.571  -7.992
  417    HD2  TYR  54           2HD      TYR  54 -14.879   3.967  -5.900
  418    HE1  TYR  54           1HE      TYR  54 -15.521   0.416  -9.237
  419    HE2  TYR  54           2HE      TYR  54 -16.999   3.817  -7.129
  420    HH   TYR  54           HH       TYR  54 -17.813   1.106  -9.088
  421    H    ASP  55           H        ASP  55 -14.107   3.912  -4.143
  422    HA   ASP  55           HA       ASP  55 -12.312   4.836  -2.042
  423   1HB   ASP  55          2HB       ASP  55 -14.555   5.105  -0.778
  424   2HB   ASP  55          1HB       ASP  55 -14.156   6.246  -2.060
  425    H    GLY  56           H        GLY  56 -11.600   3.503  -0.527
  426   1HA   GLY  56          2HA       GLY  56 -13.132   1.031  -0.007
  427   2HA   GLY  56          1HA       GLY  56 -11.396   0.974  -0.276
  428    H    VAL  57           H        VAL  57 -12.444  -0.079   2.000
  429    HA   VAL  57           HA       VAL  57 -11.970   1.957   4.056
  430    HB   VAL  57           HB       VAL  57 -13.113  -0.810   4.395
  431   1HG1  VAL  57          1HG1      VAL  57 -13.977   0.615   6.490
  432   2HG1  VAL  57          2HG1      VAL  57 -12.424   1.409   6.213
  433   3HG1  VAL  57          3HG1      VAL  57 -12.490  -0.330   6.507
  434   1HG2  VAL  57          1HG2      VAL  57 -14.474   1.879   4.095
  435   2HG2  VAL  57          2HG2      VAL  57 -15.285   0.416   4.649
  436   3HG2  VAL  57          3HG2      VAL  57 -14.616   0.489   3.023
  437    H    ILE  58           H        ILE  58 -10.071   2.034   5.042
  438    HA   ILE  58           HA       ILE  58  -8.282  -0.298   4.960
  439    HB   ILE  58           HB       ILE  58  -7.592   2.532   5.771
  440   1HG1  ILE  58          2HG1      ILE  58  -7.000   1.262   3.108
  441   2HG1  ILE  58          1HG1      ILE  58  -8.465   2.203   3.368
  442   1HG2  ILE  58          1HG2      ILE  58  -5.749   1.437   6.484
  443   2HG2  ILE  58          2HG2      ILE  58  -5.332   1.400   4.768
  444   3HG2  ILE  58          3HG2      ILE  58  -6.105   0.004   5.518
  445   1HD1  ILE  58          1HD1      ILE  58  -7.291   4.189   3.608
  446   2HD1  ILE  58          2HD1      ILE  58  -6.396   3.338   2.346
  447   3HD1  ILE  58          3HD1      ILE  58  -5.786   3.358   3.996
  448    H    LYS  59           H        LYS  59  -7.892  -1.449   6.755
  449    HA   LYS  59           HA       LYS  59  -9.160  -0.583   9.245
  450   1HB   LYS  59          2HB       LYS  59  -9.695  -2.788   8.239
  451   2HB   LYS  59          1HB       LYS  59  -8.031  -3.287   8.525
  452   1HG   LYS  59          2HG       LYS  59  -9.074  -2.270  10.958
  453   2HG   LYS  59          1HG       LYS  59 -10.249  -3.408  10.292
  454   1HD   LYS  59          2HD       LYS  59  -7.819  -4.686   9.897
  455   2HD   LYS  59          1HD       LYS  59  -7.619  -3.890  11.458
  456   1HE   LYS  59          2HE       LYS  59  -8.560  -5.810  12.199
  457   2HE   LYS  59          1HE       LYS  59 -10.041  -4.918  11.851
  458   1HZ   LYS  59          1HZ       LYS  59  -8.725  -6.808   9.974
  459   2HZ   LYS  59          2HZ       LYS  59 -10.200  -6.022   9.730
  460   3HZ   LYS  59          3HZ       LYS  59 -10.058  -7.193  10.942
  461    H    LYS  60           H        LYS  60  -5.958  -1.435   8.026
  462    HA   LYS  60           HA       LYS  60  -4.804  -0.207  10.376
  463   1HB   LYS  60          2HB       LYS  60  -3.364  -2.428  10.639
  464   2HB   LYS  60          1HB       LYS  60  -4.867  -2.186  11.519
  465   1HG   LYS  60          2HG       LYS  60  -4.978  -4.358  10.664
  466   2HG   LYS  60          1HG       LYS  60  -6.009  -3.387   9.614
  467   1HD   LYS  60          2HD       LYS  60  -4.814  -3.994   7.837
  468   2HD   LYS  60          1HD       LYS  60  -3.344  -3.361   8.581
  469   1HE   LYS  60          2HE       LYS  60  -4.498  -6.130   8.876
  470   2HE   LYS  60          1HE       LYS  60  -2.998  -5.679   8.073
  471   1HZ   LYS  60          1HZ       LYS  60  -3.345  -6.362  10.754
  472   2HZ   LYS  60          2HZ       LYS  60  -2.920  -4.727  10.714
  473   3HZ   LYS  60          3HZ       LYS  60  -1.923  -5.874   9.976
  474    H    LEU  61           H        LEU  61  -2.585   0.087  10.310
  475    HA   LEU  61           HA       LEU  61  -1.232  -0.406   7.761
  476   1HB   LEU  61          2HB       LEU  61  -1.622   2.252   9.126
  477   2HB   LEU  61          1HB       LEU  61  -0.274   1.965   8.038
  478    HG   LEU  61           HG       LEU  61  -3.176   1.644   7.242
  479   1HD1  LEU  61          1HD1      LEU  61  -1.497   3.868   6.230
  480   2HD1  LEU  61          2HD1      LEU  61  -2.173   4.015   7.853
  481   3HD1  LEU  61          3HD1      LEU  61  -3.242   3.778   6.472
  482   1HD2  LEU  61          1HD2      LEU  61  -2.014   0.357   5.741
  483   2HD2  LEU  61          2HD2      LEU  61  -0.552   1.330   5.858
  484   3HD2  LEU  61          3HD2      LEU  61  -1.937   1.926   4.942
  485    H    TYR  62           H        TYR  62   0.947  -0.806   7.957
  486    HA   TYR  62           HA       TYR  62   1.943  -0.891  10.730
  487   1HB   TYR  62          2HB       TYR  62   1.589  -3.073   9.482
  488   2HB   TYR  62          1HB       TYR  62   2.929  -2.593   8.444
  489    HD1  TYR  62           1HD      TYR  62   5.155  -2.857   9.142
  490    HD2  TYR  62           2HD      TYR  62   2.000  -3.414  11.902
  491    HE1  TYR  62           1HE      TYR  62   6.753  -3.820  10.737
  492    HE2  TYR  62           2HE      TYR  62   3.572  -4.365  13.538
  493    HH   TYR  62           HH       TYR  62   6.872  -5.101  12.648
  494    H    TYR  63           H        TYR  63   3.035  -0.309   7.374
  495    HA   TYR  63           HA       TYR  63   5.531   0.826   8.405
  496   1HB   TYR  63          2HB       TYR  63   4.609   0.314   5.567
  497   2HB   TYR  63          1HB       TYR  63   6.194   0.934   6.013
  498    HD1  TYR  63           1HD      TYR  63   4.975  -1.797   4.655
  499    HD2  TYR  63           2HD      TYR  63   6.913  -0.736   8.297
  500    HE1  TYR  63           1HE      TYR  63   5.838  -4.088   4.871
  501    HE2  TYR  63           2HE      TYR  63   7.760  -3.028   8.517
  502    HH   TYR  63           HH       TYR  63   8.279  -4.952   6.844
  503    H    ASN  64           H        ASN  64   6.041   2.927   8.378
  504    HA   ASN  64           HA       ASN  64   3.988   4.782   7.369
  505   1HB   ASN  64          2HB       ASN  64   6.082   5.288   9.493
  506   2HB   ASN  64          1HB       ASN  64   4.806   6.404   8.997
  507   1HD2  ASN  64          1HD2      ASN  64   2.802   6.186   9.838
  508   2HD2  ASN  64          2HD2      ASN  64   2.354   4.985  11.002
  509    H    LEU  65           H        LEU  65   5.237   7.091   7.300
  510    HA   LEU  65           HA       LEU  65   6.527   7.217   4.873
  511   1HB   LEU  65          2HB       LEU  65   6.423   9.071   7.225
  512   2HB   LEU  65          1HB       LEU  65   7.286   9.499   5.767
  513    HG   LEU  65           HG       LEU  65   4.743   8.618   4.952
  514   1HD1  LEU  65          1HD1      LEU  65   4.700  10.035   7.521
  515   2HD1  LEU  65          2HD1      LEU  65   3.513   8.950   6.790
  516   3HD1  LEU  65          3HD1      LEU  65   3.603  10.633   6.279
  517   1HD2  LEU  65          1HD2      LEU  65   5.412  11.515   5.146
  518   2HD2  LEU  65          2HD2      LEU  65   4.673  10.612   3.825
  519   3HD2  LEU  65          3HD2      LEU  65   6.406  10.472   4.125
  520    H    ASP  66           H        ASP  66   7.853   6.444   7.963
  521    HA   ASP  66           HA       ASP  66  10.597   6.962   7.033
  522   1HB   ASP  66          2HB       ASP  66   9.474   6.433   9.784
  523   2HB   ASP  66          1HB       ASP  66  11.201   6.556   9.456
  524    H    ASP  67           H        ASP  67   8.452   4.358   7.951
  525    HA   ASP  67           HA       ASP  67  10.518   2.394   8.306
  526   1HB   ASP  67          2HB       ASP  67   7.593   1.869   7.765
  527   2HB   ASP  67          1HB       ASP  67   8.752   0.792   8.530
  528    H    ILE  68           H        ILE  68  10.949   0.564   7.032
  529    HA   ILE  68           HA       ILE  68  10.582   0.963   4.132
  530    HB   ILE  68           HB       ILE  68  12.463  -1.072   5.210
  531   1HG1  ILE  68          2HG1      ILE  68  12.888   0.998   6.567
  532   2HG1  ILE  68          1HG1      ILE  68  14.249   0.455   5.596
  533   1HG2  ILE  68          1HG2      ILE  68  12.852   0.857   2.949
  534   2HG2  ILE  68          2HG2      ILE  68  11.944  -0.644   2.774
  535   3HG2  ILE  68          3HG2      ILE  68  13.653  -0.687   3.224
  536   1HD1  ILE  68          1HD1      ILE  68  14.362   2.394   4.575
  537   2HD1  ILE  68          2HD1      ILE  68  13.088   2.982   5.652
  538   3HD1  ILE  68          3HD1      ILE  68  12.668   2.266   4.094
  539    H    ALA  69           H        ALA  69   9.633  -0.542   2.944
  540    HA   ALA  69           HA       ALA  69   8.519  -2.844   4.399
  541   1HB   ALA  69          1HB       ALA  69   6.966  -1.231   3.273
  542   2HB   ALA  69          2HB       ALA  69   6.787  -2.911   2.783
  543   3HB   ALA  69          3HB       ALA  69   7.628  -1.778   1.743
  544    H    TYR  70           H        TYR  70   8.529  -4.857   3.510
  545    HA   TYR  70           HA       TYR  70  10.656  -5.373   1.546
  546   1HB   TYR  70          2HB       TYR  70   9.572  -7.237   3.671
  547   2HB   TYR  70          1HB       TYR  70  10.962  -7.519   2.635
  548    HD1  TYR  70           1HD      TYR  70  12.991  -7.330   3.653
  549    HD2  TYR  70           2HD      TYR  70   9.820  -4.865   5.036
  550    HE1  TYR  70           1HE      TYR  70  14.478  -6.392   5.370
  551    HE2  TYR  70           2HE      TYR  70  11.301  -3.907   6.748
  552    HH   TYR  70           HH       TYR  70  14.541  -4.111   6.697
  553    H    VAL  71           H        VAL  71  10.253  -6.949  -0.038
  554    HA   VAL  71           HA       VAL  71   7.493  -7.142  -0.831
  555    HB   VAL  71           HB       VAL  71   9.205  -6.631  -2.479
  556   1HG1  VAL  71          1HG1      VAL  71  10.463  -9.067  -1.406
  557   2HG1  VAL  71          2HG1      VAL  71  11.196  -7.625  -2.107
  558   3HG1  VAL  71          3HG1      VAL  71  10.533  -8.876  -3.155
  559   1HG2  VAL  71          1HG2      VAL  71   7.604  -9.136  -2.793
  560   2HG2  VAL  71          2HG2      VAL  71   8.660  -8.580  -4.097
  561   3HG2  VAL  71          3HG2      VAL  71   7.363  -7.539  -3.506
  562    H    GLY  72           H        GLY  72   6.246  -8.934  -0.870
  563   1HA   GLY  72          2HA       GLY  72   6.129 -11.408  -0.970
  564   2HA   GLY  72          1HA       GLY  72   7.421 -11.423   0.226
  565    H    LYS  73           H        LYS  73   5.682  -8.943   1.314
  566    HA   LYS  73           HA       LYS  73   3.551 -10.474   2.613
  567   1HB   LYS  73          2HB       LYS  73   5.963  -9.414   3.956
  568   2HB   LYS  73          1HB       LYS  73   4.431  -9.112   4.765
  569   1HG   LYS  73          2HG       LYS  73   5.347 -11.817   3.861
  570   2HG   LYS  73          1HG       LYS  73   5.592 -11.185   5.492
  571   1HD   LYS  73          2HD       LYS  73   3.148 -10.945   5.756
  572   2HD   LYS  73          1HD       LYS  73   2.918 -11.570   4.123
  573   1HE   LYS  73          2HE       LYS  73   4.369 -13.119   6.241
  574   2HE   LYS  73          1HE       LYS  73   2.617 -13.211   6.047
  575   1HZ   LYS  73          1HZ       LYS  73   3.925 -13.540   3.553
  576   2HZ   LYS  73          2HZ       LYS  73   2.869 -14.592   4.354
  577   3HZ   LYS  73          3HZ       LYS  73   4.526 -14.651   4.682
  578    HA   PRO  74           HA       PRO  74   1.542  -6.555   1.848
  579   1HB   PRO  74          2HB       PRO  74  -0.704  -7.522   3.444
  580   2HB   PRO  74          1HB       PRO  74  -0.629  -7.217   1.706
  581   1HG   PRO  74          2HG       PRO  74  -0.828  -9.700   2.785
  582   2HG   PRO  74          1HG       PRO  74  -0.056  -9.370   1.222
  583   1HD   PRO  74          2HD       PRO  74   1.187  -9.875   3.892
  584   2HD   PRO  74          1HD       PRO  74   1.699 -10.421   2.282
  585    H    LEU  75           H        LEU  75   1.185  -4.662   3.019
  586    HA   LEU  75           HA       LEU  75   1.699  -4.931   5.897
  587   1HB   LEU  75          2HB       LEU  75   2.352  -2.506   5.816
  588   2HB   LEU  75          1HB       LEU  75   3.449  -3.629   5.045
  589    HG   LEU  75           HG       LEU  75   2.958  -1.373   3.898
  590   1HD1  LEU  75          1HD1      LEU  75   3.496  -2.233   1.829
  591   2HD1  LEU  75          2HD1      LEU  75   2.544  -3.695   2.061
  592   3HD1  LEU  75          3HD1      LEU  75   4.061  -3.483   2.929
  593   1HD2  LEU  75          1HD2      LEU  75   1.049  -1.212   2.514
  594   2HD2  LEU  75          2HD2      LEU  75   0.467  -1.620   4.128
  595   3HD2  LEU  75          3HD2      LEU  75   0.556  -2.859   2.879
  596    H    VAL  76           H        VAL  76  -0.690  -4.061   3.621
  597    HA   VAL  76           HA       VAL  76  -2.291  -2.988   5.847
  598    HB   VAL  76           HB       VAL  76  -1.484  -1.059   4.592
  599   1HG1  VAL  76          1HG1      VAL  76  -1.280  -1.085   2.377
  600   2HG1  VAL  76          2HG1      VAL  76  -3.007  -1.382   2.182
  601   3HG1  VAL  76          3HG1      VAL  76  -1.896  -2.735   2.377
  602   1HG2  VAL  76          1HG2      VAL  76  -3.904  -1.275   5.534
  603   2HG2  VAL  76          2HG2      VAL  76  -4.368  -1.332   3.842
  604   3HG2  VAL  76          3HG2      VAL  76  -3.524   0.077   4.472
  605    H    ASP  77           H        ASP  77  -4.546  -3.048   5.565
  606    HA   ASP  77           HA       ASP  77  -5.520  -4.990   3.581
  607   1HB   ASP  77          2HB       ASP  77  -6.632  -4.713   6.370
  608   2HB   ASP  77          1HB       ASP  77  -6.908  -6.013   5.222
  609    H    ILE  78           H        ILE  78  -6.985  -4.091   2.262
  610    HA   ILE  78           HA       ILE  78  -8.744  -1.979   3.345
  611    HB   ILE  78           HB       ILE  78  -7.713  -1.661   0.562
  612   1HG1  ILE  78          2HG1      ILE  78  -5.975  -0.045   1.789
  613   2HG1  ILE  78          1HG1      ILE  78  -6.130  -1.257   3.059
  614   1HG2  ILE  78          1HG2      ILE  78  -8.812   0.092   2.696
  615   2HG2  ILE  78          2HG2      ILE  78  -9.378  -0.165   1.051
  616   3HG2  ILE  78          3HG2      ILE  78  -7.912   0.771   1.341
  617   1HD1  ILE  78          1HD1      ILE  78  -4.699  -2.545   2.001
  618   2HD1  ILE  78          2HD1      ILE  78  -4.561  -1.351   0.706
  619   3HD1  ILE  78          3HD1      ILE  78  -5.783  -2.626   0.609
  620    H    GLU  79           H        GLU  79 -10.785  -1.746   2.285
  621    HA   GLU  79           HA       GLU  79 -11.525  -4.074   0.654
  622   1HB   GLU  79          2HB       GLU  79 -13.245  -2.090   2.174
  623   2HB   GLU  79          1HB       GLU  79 -13.879  -3.397   1.181
  624   1HG   GLU  79          2HG       GLU  79 -12.874  -5.039   2.633
  625   2HG   GLU  79          1HG       GLU  79 -12.106  -3.769   3.582
  626    H    THR  80           H        THR  80 -11.450  -3.735  -1.450
  627    HA   THR  80           HA       THR  80 -12.630  -1.297  -2.522
  628    HB   THR  80           HB       THR  80 -10.688  -1.385  -4.281
  629    HG1  THR  80           1HG      THR  80  -9.254  -2.843  -3.721
  630   1HG2  THR  80          1HG2      THR  80 -11.274   0.331  -2.339
  631   2HG2  THR  80          2HG2      THR  80  -9.780   0.463  -3.269
  632   3HG2  THR  80          3HG2      THR  80  -9.762  -0.284  -1.672
  633    H    GLU  81           H        GLU  81 -13.174  -1.506  -4.844
  634    HA   GLU  81           HA       GLU  81 -14.472  -3.915  -5.430
  635   1HB   GLU  81          2HB       GLU  81 -13.650  -1.528  -7.069
  636   2HB   GLU  81          1HB       GLU  81 -14.337  -2.939  -7.864
  637   1HG   GLU  81          2HG       GLU  81 -16.262  -1.840  -7.509
  638   2HG   GLU  81          1HG       GLU  81 -16.155  -2.624  -5.940
  639    H    ALA  82           H        ALA  82 -13.922  -5.694  -6.657
  640    HA   ALA  82           HA       ALA  82 -11.488  -6.823  -6.537
  641   1HB   ALA  82          1HB       ALA  82 -13.078  -8.264  -7.269
  642   2HB   ALA  82          2HB       ALA  82 -12.232  -7.961  -8.786
  643   3HB   ALA  82          3HB       ALA  82 -13.740  -7.121  -8.437
  644    H    LEU  83           H        LEU  83  -9.517  -6.226  -7.195
  645    HA   LEU  83           HA       LEU  83  -9.255  -4.825  -9.777
  646   1HB   LEU  83          2HB       LEU  83  -8.401  -4.127  -7.160
  647   2HB   LEU  83          1HB       LEU  83  -6.981  -4.430  -8.135
  648    HG   LEU  83           HG       LEU  83  -7.860  -2.794  -9.810
  649   1HD1  LEU  83          1HD1      LEU  83 -10.096  -2.794  -7.929
  650   2HD1  LEU  83          2HD1      LEU  83 -10.026  -2.293  -9.616
  651   3HD1  LEU  83          3HD1      LEU  83  -9.518  -1.181  -8.348
  652   1HD2  LEU  83          1HD2      LEU  83  -6.849  -2.231  -7.114
  653   2HD2  LEU  83          2HD2      LEU  83  -7.607  -0.853  -7.907
  654   3HD2  LEU  83          3HD2      LEU  83  -6.260  -1.681  -8.682
  655    H    LYS  84           H        LYS  84  -7.847  -5.644 -11.260
  656    HA   LYS  84           HA       LYS  84  -7.050  -8.271 -11.249
  657   1HB   LYS  84          2HB       LYS  84  -5.493  -7.697 -13.058
  658   2HB   LYS  84          1HB       LYS  84  -7.069  -6.956 -13.279
  659   1HG   LYS  84          2HG       LYS  84  -6.052  -4.871 -12.233
  660   2HG   LYS  84          1HG       LYS  84  -4.488  -5.666 -12.458
  661   1HD   LYS  84          2HD       LYS  84  -6.337  -5.573 -14.787
  662   2HD   LYS  84          1HD       LYS  84  -5.552  -4.068 -14.304
  663   1HE   LYS  84          2HE       LYS  84  -4.056  -6.637 -14.831
  664   2HE   LYS  84          1HE       LYS  84  -4.310  -5.392 -16.056
  665   1HZ   LYS  84          1HZ       LYS  84  -2.298  -5.514 -14.144
  666   2HZ   LYS  84          2HZ       LYS  84  -3.297  -4.225 -13.696
  667   3HZ   LYS  84          3HZ       LYS  84  -2.605  -4.257 -15.237
  668    H    ASP  85           H        ASP  85  -5.099  -5.479 -10.263
  669    HA   ASP  85           HA       ASP  85  -2.616  -6.476 -10.019
  670   1HB   ASP  85          2HB       ASP  85  -2.451  -5.083  -7.837
  671   2HB   ASP  85          1HB       ASP  85  -2.852  -4.249  -9.336
  672    H    LEU  86           H        LEU  86  -5.161  -7.009  -7.574
  673    HA   LEU  86           HA       LEU  86  -3.457  -9.163  -6.485
  674   1HB   LEU  86          2HB       LEU  86  -3.996  -7.026  -5.074
  675   2HB   LEU  86          1HB       LEU  86  -5.545  -7.803  -4.822
  676    HG   LEU  86           HG       LEU  86  -4.220  -9.820  -3.972
  677   1HD1  LEU  86          1HD1      LEU  86  -2.004  -9.758  -3.987
  678   2HD1  LEU  86          2HD1      LEU  86  -1.998  -8.234  -3.096
  679   3HD1  LEU  86          3HD1      LEU  86  -2.091  -8.227  -4.858
  680   1HD2  LEU  86          1HD2      LEU  86  -4.386  -7.161  -2.594
  681   2HD2  LEU  86          2HD2      LEU  86  -3.830  -8.607  -1.745
  682   3HD2  LEU  86          3HD2      LEU  86  -5.456  -8.551  -2.437
  683    H    GLU  87           H        GLU  87  -6.587  -8.303  -7.696
  684    HA   GLU  87           HA       GLU  87  -7.358 -11.119  -7.524
  685   1HB   GLU  87          2HB       GLU  87  -9.064  -8.808  -6.578
  686   2HB   GLU  87          1HB       GLU  87  -9.688 -10.420  -6.894
  687   1HG   GLU  87          2HG       GLU  87  -8.481 -11.361  -5.121
  688   2HG   GLU  87          1HG       GLU  87  -7.458  -9.935  -4.952
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1  17.616  10.812   3.085
    2   2H    MET   1          2HT       MET   1  16.538   9.708   2.393
    3   3H    MET   1          3HT       MET   1  18.019  10.027   1.641
    4    HA   MET   1           HA       MET   1  17.888   7.876   2.890
    5   1HB   MET   1          2HB       MET   1  20.149   8.321   3.985
    6   2HB   MET   1          1HB       MET   1  20.022   8.679   2.268
    7   1HG   MET   1          2HG       MET   1  19.485  10.874   4.189
    8   2HG   MET   1          1HG       MET   1  21.153  10.346   3.972
    9   1HE   MET   1          1HE       MET   1  19.283  12.910   3.517
   10   2HE   MET   1          2HE       MET   1  19.342  13.550   1.874
   11   3HE   MET   1          3HE       MET   1  20.800  13.531   2.865
   12    H    GLY   2           H        GLY   2  16.449   7.331   4.447
   13   1HA   GLY   2          2HA       GLY   2  16.462   6.893   6.876
   14   2HA   GLY   2          1HA       GLY   2  16.818   8.601   7.090
   15    H    GLN   3           H        GLN   3  14.573   7.809   4.614
   16    HA   GLN   3           HA       GLN   3  12.317   8.429   6.397
   17   1HB   GLN   3          2HB       GLN   3  11.327   9.781   4.568
   18   2HB   GLN   3          1HB       GLN   3  12.826  10.458   5.189
   19   1HG   GLN   3          2HG       GLN   3  13.713  10.446   3.167
   20   2HG   GLN   3          1HG       GLN   3  13.427   8.713   3.016
   21   1HE2  GLN   3          1HE2      GLN   3  12.061   8.069   1.504
   22   2HE2  GLN   3          2HE2      GLN   3  10.912   9.067   0.686
   23    H    VAL   4           H        VAL   4  10.270   7.606   5.725
   24    HA   VAL   4           HA       VAL   4  10.505   5.334   3.864
   25    HB   VAL   4           HB       VAL   4   8.736   4.206   5.097
   26   1HG1  VAL   4          1HG1      VAL   4  10.341   3.319   6.328
   27   2HG1  VAL   4          2HG1      VAL   4  10.222   4.662   7.465
   28   3HG1  VAL   4          3HG1      VAL   4  11.330   4.761   6.096
   29   1HG2  VAL   4          1HG2      VAL   4   8.207   5.290   7.419
   30   2HG2  VAL   4          2HG2      VAL   4   7.309   5.768   5.979
   31   3HG2  VAL   4          3HG2      VAL   4   8.615   6.788   6.582
   32    H    VAL   5           H        VAL   5   8.885   4.914   2.417
   33    HA   VAL   5           HA       VAL   5   7.108   7.163   1.805
   34    HB   VAL   5           HB       VAL   5   6.795   6.081  -0.383
   35   1HG1  VAL   5          1HG1      VAL   5   9.447   6.046  -0.897
   36   2HG1  VAL   5          2HG1      VAL   5   9.424   6.916   0.637
   37   3HG1  VAL   5          3HG1      VAL   5   8.490   7.518  -0.733
   38   1HG2  VAL   5          1HG2      VAL   5   6.995   3.759   0.189
   39   2HG2  VAL   5          2HG2      VAL   5   8.659   3.986   0.729
   40   3HG2  VAL   5          3HG2      VAL   5   8.260   4.142  -0.981
   41    H    GLN   6           H        GLN   6   5.027   7.014   2.370
   42    HA   GLN   6           HA       GLN   6   3.998   4.384   3.118
   43   1HB   GLN   6          2HB       GLN   6   3.039   7.165   3.764
   44   2HB   GLN   6          1HB       GLN   6   2.182   5.705   4.235
   45   1HG   GLN   6          2HG       GLN   6   3.421   5.567   6.054
   46   2HG   GLN   6          1HG       GLN   6   4.865   5.403   5.056
   47   1HE2  GLN   6          1HE2      GLN   6   2.723   8.192   5.370
   48   2HE2  GLN   6          2HE2      GLN   6   3.916   9.259   6.018
   49    H    PHE   7           H        PHE   7   2.193   3.484   2.291
   50    HA   PHE   7           HA       PHE   7   1.102   4.729  -0.129
   51   1HB   PHE   7          2HB       PHE   7   1.931   2.592  -0.687
   52   2HB   PHE   7          1HB       PHE   7   1.338   1.872   0.804
   53    HD1  PHE   7           1HD      PHE   7   0.051   3.540  -2.276
   54    HD2  PHE   7           2HD      PHE   7  -0.549   0.581   0.721
   55    HE1  PHE   7           1HE      PHE   7  -1.974   2.775  -3.442
   56    HE2  PHE   7           2HE      PHE   7  -2.571  -0.190  -0.438
   57    HZ   PHE   7           HZ       PHE   7  -3.290   0.905  -2.524
   58    H    LYS   8           H        LYS   8  -0.847   5.607   0.003
   59    HA   LYS   8           HA       LYS   8  -2.589   4.849   2.249
   60   1HB   LYS   8          2HB       LYS   8  -3.527   7.041   2.171
   61   2HB   LYS   8          1HB       LYS   8  -1.781   7.231   2.109
   62   1HG   LYS   8          2HG       LYS   8  -2.929   7.050  -0.541
   63   2HG   LYS   8          1HG       LYS   8  -3.635   8.364   0.399
   64   1HD   LYS   8          2HD       LYS   8  -0.704   7.894  -0.138
   65   2HD   LYS   8          1HD       LYS   8  -1.709   9.178  -0.813
   66   1HE   LYS   8          2HE       LYS   8  -1.244  10.464   0.933
   67   2HE   LYS   8          1HE       LYS   8  -1.958   9.266   2.012
   68   1HZ   LYS   8          1HZ       LYS   8   0.848   9.742   1.356
   69   2HZ   LYS   8          2HZ       LYS   8   0.381   8.139   1.628
   70   3HZ   LYS   8          3HZ       LYS   8   0.141   9.306   2.830
   71    H    LEU   9           H        LEU   9  -4.759   4.387   1.905
   72    HA   LEU   9           HA       LEU   9  -5.474   3.072  -0.438
   73   1HB   LEU   9          2HB       LEU   9  -6.614   2.780   1.721
   74   2HB   LEU   9          1HB       LEU   9  -7.263   4.401   1.609
   75    HG   LEU   9           HG       LEU   9  -8.933   2.651   1.099
   76   1HD1  LEU   9          1HD1      LEU   9  -8.458   4.116  -1.447
   77   2HD1  LEU   9          2HD1      LEU   9  -8.822   5.007   0.029
   78   3HD1  LEU   9          3HD1      LEU   9  -9.967   3.814  -0.586
   79   1HD2  LEU   9          1HD2      LEU   9  -6.836   1.694  -0.635
   80   2HD2  LEU   9          2HD2      LEU   9  -8.369   1.900  -1.489
   81   3HD2  LEU   9          3HD2      LEU   9  -8.292   0.884  -0.046
   82    H    SER  10           H        SER  10  -5.634   3.920  -2.412
   83    HA   SER  10           HA       SER  10  -7.011   6.496  -2.726
   84   1HB   SER  10          2HB       SER  10  -4.285   6.224  -3.043
   85   2HB   SER  10          1HB       SER  10  -4.884   6.053  -4.692
   86    HG   SER  10           HG       SER  10  -5.207   8.118  -4.703
   87    H    ASP  11           H        ASP  11  -8.750   4.926  -3.175
   88    HA   ASP  11           HA       ASP  11  -8.722   4.161  -6.013
   89   1HB   ASP  11          2HB       ASP  11  -9.404   2.522  -3.632
   90   2HB   ASP  11          1HB       ASP  11 -10.439   2.336  -5.045
   91    H    ILE  12           H        ILE  12 -10.649   5.043  -3.193
   92    HA   ILE  12           HA       ILE  12 -12.731   6.072  -5.003
   93    HB   ILE  12           HB       ILE  12 -14.158   5.805  -2.788
   94   1HG1  ILE  12          2HG1      ILE  12 -12.129   4.889  -1.562
   95   2HG1  ILE  12          1HG1      ILE  12 -13.604   3.939  -1.438
   96   1HG2  ILE  12          1HG2      ILE  12 -14.935   4.819  -4.753
   97   2HG2  ILE  12          2HG2      ILE  12 -14.782   3.473  -3.623
   98   3HG2  ILE  12          3HG2      ILE  12 -13.551   3.730  -4.861
   99   1HD1  ILE  12          1HD1      ILE  12 -11.112   2.994  -2.120
  100   2HD1  ILE  12          2HD1      ILE  12 -11.940   3.123  -3.674
  101   3HD1  ILE  12          3HD1      ILE  12 -12.648   2.163  -2.376
  102    H    GLY  13           H        GLY  13 -14.212   7.619  -3.450
  103   1HA   GLY  13          2HA       GLY  13 -12.310   9.568  -2.303
  104   2HA   GLY  13          1HA       GLY  13 -13.754  10.027  -3.194
  105    H    GLU  14           H        GLU  14 -12.689  10.381  -0.308
  106    HA   GLU  14           HA       GLU  14 -14.164   9.090   1.585
  107   1HB   GLU  14          2HB       GLU  14 -14.150  11.292   2.853
  108   2HB   GLU  14          1HB       GLU  14 -12.587  10.689   2.319
  109   1HG   GLU  14          2HG       GLU  14 -12.233  12.435   0.969
  110   2HG   GLU  14          1HG       GLU  14 -13.905  12.471   0.411
  111    H    GLY  15           H        GLY  15 -16.268   8.552   1.394
  112   1HA   GLY  15          2HA       GLY  15 -18.375  10.085   1.986
  113   2HA   GLY  15          1HA       GLY  15 -18.168  10.456   0.283
  114    H    ILE  16           H        ILE  16 -17.181   7.516   0.038
  115    HA   ILE  16           HA       ILE  16 -19.854   6.290   0.080
  116    HB   ILE  16           HB       ILE  16 -19.535   5.275  -2.019
  117   1HG1  ILE  16          2HG1      ILE  16 -17.078   4.719  -1.641
  118   2HG1  ILE  16          1HG1      ILE  16 -17.505   5.202  -3.278
  119   1HG2  ILE  16          1HG2      ILE  16 -19.510   7.096  -3.472
  120   2HG2  ILE  16          2HG2      ILE  16 -18.339   7.979  -2.493
  121   3HG2  ILE  16          3HG2      ILE  16 -19.995   7.783  -1.922
  122   1HD1  ILE  16          1HD1      ILE  16 -15.867   6.667  -3.171
  123   2HD1  ILE  16          2HD1      ILE  16 -15.629   6.359  -1.450
  124   3HD1  ILE  16          3HD1      ILE  16 -16.813   7.558  -1.981
  125    H    ARG  17           H        ARG  17 -19.042   3.782  -0.897
  126    HA   ARG  17           HA       ARG  17 -18.177   2.529   1.475
  127   1HB   ARG  17          2HB       ARG  17 -18.823   1.677  -1.293
  128   2HB   ARG  17          1HB       ARG  17 -17.804   0.593  -0.357
  129   1HG   ARG  17          2HG       ARG  17 -19.487  -0.036   0.992
  130   2HG   ARG  17          1HG       ARG  17 -20.199   1.578   1.034
  131   1HD   ARG  17          2HD       ARG  17 -21.793   0.376  -0.130
  132   2HD   ARG  17          1HD       ARG  17 -20.836   1.078  -1.434
  133    HE   ARG  17           HE       ARG  17 -19.875  -1.497  -0.681
  134   1HH1  ARG  17          1HH1      ARG  17 -22.356   0.135  -2.500
  135   2HH1  ARG  17          2HH1      ARG  17 -22.594  -1.179  -3.603
  136   1HH2  ARG  17          1HH2      ARG  17 -20.179  -3.233  -2.131
  137   2HH2  ARG  17          2HH2      ARG  17 -21.357  -3.093  -3.393
  138    H    GLU  18           H        GLU  18 -16.245   1.327   1.838
  139    HA   GLU  18           HA       GLU  18 -13.917   2.570   0.576
  140   1HB   GLU  18          2HB       GLU  18 -14.263   1.006   3.133
  141   2HB   GLU  18          1HB       GLU  18 -12.696   1.521   2.523
  142   1HG   GLU  18          2HG       GLU  18 -12.979   3.588   3.286
  143   2HG   GLU  18          1HG       GLU  18 -14.601   3.699   2.599
  144    H    VAL  19           H        VAL  19 -11.917   0.933   0.462
  145    HA   VAL  19           HA       VAL  19 -13.011  -1.460  -0.889
  146    HB   VAL  19           HB       VAL  19 -11.957   0.200  -2.405
  147   1HG1  VAL  19          1HG1      VAL  19 -10.185   0.968  -0.926
  148   2HG1  VAL  19          2HG1      VAL  19  -9.525   0.374  -2.450
  149   3HG1  VAL  19          3HG1      VAL  19  -9.424  -0.622  -0.997
  150   1HG2  VAL  19          1HG2      VAL  19 -12.024  -2.416  -2.646
  151   2HG2  VAL  19          2HG2      VAL  19 -10.273  -2.256  -2.513
  152   3HG2  VAL  19          3HG2      VAL  19 -11.139  -1.422  -3.803
  153    H    THR  20           H        THR  20 -12.011  -3.419  -0.765
  154    HA   THR  20           HA       THR  20 -10.358  -3.814   1.618
  155    HB   THR  20           HB       THR  20 -11.317  -6.135   0.036
  156    HG1  THR  20           1HG      THR  20 -13.345  -5.591   0.137
  157   1HG2  THR  20          1HG2      THR  20 -11.679  -7.108   2.204
  158   2HG2  THR  20          2HG2      THR  20 -11.461  -5.548   2.993
  159   3HG2  THR  20          3HG2      THR  20 -10.096  -6.332   2.199
  160    H    VAL  21           H        VAL  21  -8.560  -5.285   1.547
  161    HA   VAL  21           HA       VAL  21  -6.929  -4.871  -0.799
  162    HB   VAL  21           HB       VAL  21  -6.283  -6.541   1.634
  163   1HG1  VAL  21          1HG1      VAL  21  -4.552  -7.089   0.306
  164   2HG1  VAL  21          2HG1      VAL  21  -3.945  -5.494   0.749
  165   3HG1  VAL  21          3HG1      VAL  21  -4.810  -5.717  -0.772
  166   1HG2  VAL  21          1HG2      VAL  21  -4.909  -4.214   1.954
  167   2HG2  VAL  21          2HG2      VAL  21  -6.444  -4.589   2.739
  168   3HG2  VAL  21          3HG2      VAL  21  -6.421  -3.633   1.257
  169    H    LYS  22           H        LYS  22  -6.674  -6.231  -2.455
  170    HA   LYS  22           HA       LYS  22  -8.074  -8.774  -2.394
  171   1HB   LYS  22          2HB       LYS  22  -7.729  -6.876  -4.347
  172   2HB   LYS  22          1HB       LYS  22  -6.574  -8.113  -4.824
  173   1HG   LYS  22          2HG       LYS  22  -9.131  -9.256  -4.093
  174   2HG   LYS  22          1HG       LYS  22  -9.279  -8.068  -5.389
  175   1HD   LYS  22          2HD       LYS  22  -7.549  -9.240  -6.662
  176   2HD   LYS  22          1HD       LYS  22  -7.393 -10.424  -5.362
  177   1HE   LYS  22          2HE       LYS  22  -8.823 -11.561  -6.725
  178   2HE   LYS  22          1HE       LYS  22  -9.997 -10.666  -5.763
  179   1HZ   LYS  22          1HZ       LYS  22  -9.221 -10.304  -8.558
  180   2HZ   LYS  22          2HZ       LYS  22  -9.628  -8.917  -7.681
  181   3HZ   LYS  22          3HZ       LYS  22 -10.745 -10.178  -7.834
  182    H    GLU  23           H        GLU  23  -4.770  -7.569  -2.638
  183    HA   GLU  23           HA       GLU  23  -3.832 -10.291  -2.108
  184   1HB   GLU  23          2HB       GLU  23  -2.954  -8.532  -4.381
  185   2HB   GLU  23          1HB       GLU  23  -1.905  -9.788  -3.738
  186   1HG   GLU  23          2HG       GLU  23  -4.687 -10.493  -4.524
  187   2HG   GLU  23          1HG       GLU  23  -3.474 -10.248  -5.780
  188    H    TRP  24           H        TRP  24  -2.238 -10.420  -0.669
  189    HA   TRP  24           HA       TRP  24  -0.792  -7.965   0.078
  190   1HB   TRP  24          2HB       TRP  24  -2.386  -9.814   1.757
  191   2HB   TRP  24          1HB       TRP  24  -0.838  -9.316   2.428
  192    HD1  TRP  24           HD       TRP  24  -4.290  -8.332   2.498
  193    HE1  TRP  24           1HE      TRP  24  -4.580  -5.872   3.190
  194    HE3  TRP  24           3HE      TRP  24   0.512  -6.739   1.815
  195    HZ2  TRP  24           2HZ      TRP  24  -2.981  -3.556   3.408
  196    HZ3  TRP  24           3HZ      TRP  24   1.051  -4.384   2.284
  197    HH2  TRP  24           HH       TRP  24  -0.661  -2.827   3.064
  198    H    TYR  25           H        TYR  25   1.319  -8.247  -0.321
  199    HA   TYR  25           HA       TYR  25   2.433 -10.952   0.077
  200   1HB   TYR  25          2HB       TYR  25   2.846  -8.992  -2.149
  201   2HB   TYR  25          1HB       TYR  25   4.131 -10.121  -1.733
  202    HD1  TYR  25           1HD      TYR  25   1.556  -9.639  -3.935
  203    HD2  TYR  25           2HD      TYR  25   3.083 -12.638  -1.331
  204    HE1  TYR  25           1HE      TYR  25   0.469 -11.370  -5.301
  205    HE2  TYR  25           2HE      TYR  25   1.999 -14.377  -2.691
  206    HH   TYR  25           HH       TYR  25   1.200 -14.324  -5.451
  207    H    VAL  26           H        VAL  26   2.374  -8.981   2.100
  208    HA   VAL  26           HA       VAL  26   5.197  -8.832   2.673
  209    HB   VAL  26           HB       VAL  26   5.338  -6.455   3.023
  210   1HG1  VAL  26          1HG1      VAL  26   5.823  -7.310   0.775
  211   2HG1  VAL  26          2HG1      VAL  26   5.219  -5.653   0.750
  212   3HG1  VAL  26          3HG1      VAL  26   4.154  -6.982   0.306
  213   1HG2  VAL  26          1HG2      VAL  26   3.531  -5.218   3.424
  214   2HG2  VAL  26          2HG2      VAL  26   2.497  -6.590   3.029
  215   3HG2  VAL  26          3HG2      VAL  26   2.994  -5.469   1.762
  216    H    LYS  27           H        LYS  27   5.575  -7.855   4.886
  217    HA   LYS  27           HA       LYS  27   3.265  -7.940   6.653
  218   1HB   LYS  27          2HB       LYS  27   5.389 -10.007   6.569
  219   2HB   LYS  27          1HB       LYS  27   4.896  -9.452   8.163
  220   1HG   LYS  27          2HG       LYS  27   2.808 -10.247   6.193
  221   2HG   LYS  27          1HG       LYS  27   3.723 -11.496   7.040
  222   1HD   LYS  27          2HD       LYS  27   2.991 -10.700   9.164
  223   2HD   LYS  27          1HD       LYS  27   2.303  -9.241   8.448
  224   1HE   LYS  27          2HE       LYS  27   0.569 -10.475   7.393
  225   2HE   LYS  27          1HE       LYS  27   1.349 -12.012   7.765
  226   1HZ   LYS  27          1HZ       LYS  27   0.207 -10.132   9.761
  227   2HZ   LYS  27          2HZ       LYS  27   0.938 -11.617  10.110
  228   3HZ   LYS  27          3HZ       LYS  27  -0.513 -11.572   9.242
  229    H    GLU  28           H        GLU  28   3.753  -7.164   8.831
  230    HA   GLU  28           HA       GLU  28   5.222  -4.810   8.860
  231   1HB   GLU  28          2HB       GLU  28   4.802  -6.418  11.367
  232   2HB   GLU  28          1HB       GLU  28   4.763  -4.674  11.162
  233   1HG   GLU  28          2HG       GLU  28   2.554  -4.889  11.190
  234   2HG   GLU  28          1HG       GLU  28   2.721  -5.493   9.542
  235    H    GLY  29           H        GLY  29   7.315  -4.279   9.247
  236   1HA   GLY  29          2HA       GLY  29   9.542  -4.527   9.801
  237   2HA   GLY  29          1HA       GLY  29   9.118  -6.012  10.641
  238    H    ASP  30           H        ASP  30   7.898  -6.189   7.553
  239    HA   ASP  30           HA       ASP  30  10.067  -7.959   6.744
  240   1HB   ASP  30          2HB       ASP  30   7.486  -8.480   6.739
  241   2HB   ASP  30          1HB       ASP  30   7.531  -7.646   5.187
  242    H    THR  31           H        THR  31  10.918  -7.927   4.609
  243    HA   THR  31           HA       THR  31  11.062  -5.214   3.517
  244    HB   THR  31           HB       THR  31  12.820  -7.458   2.594
  245    HG1  THR  31           1HG      THR  31  14.251  -6.909   4.320
  246   1HG2  THR  31          1HG2      THR  31  13.325  -4.508   2.985
  247   2HG2  THR  31          2HG2      THR  31  12.843  -5.251   1.460
  248   3HG2  THR  31          3HG2      THR  31  14.393  -5.666   2.193
  249    H    VAL  32           H        VAL  32  10.879  -4.839   1.288
  250    HA   VAL  32           HA       VAL  32   9.253  -6.830  -0.130
  251    HB   VAL  32           HB       VAL  32   8.911  -4.478  -1.528
  252   1HG1  VAL  32          1HG1      VAL  32   7.378  -6.322  -0.071
  253   2HG1  VAL  32          2HG1      VAL  32   6.824  -5.152  -1.270
  254   3HG1  VAL  32          3HG1      VAL  32   6.867  -4.715   0.437
  255   1HG2  VAL  32          1HG2      VAL  32   9.992  -3.140   0.189
  256   2HG2  VAL  32          2HG2      VAL  32   8.902  -3.796   1.410
  257   3HG2  VAL  32          3HG2      VAL  32   8.268  -2.778   0.117
  258    H    SER  33           H        SER  33   9.413  -6.697  -2.533
  259    HA   SER  33           HA       SER  33  12.121  -6.006  -3.442
  260   1HB   SER  33          2HB       SER  33  10.872  -8.651  -3.343
  261   2HB   SER  33          1HB       SER  33  11.459  -8.229  -4.952
  262    HG   SER  33           HG       SER  33  13.385  -8.618  -4.245
  263    H    GLN  34           H        GLN  34  12.249  -5.888  -5.855
  264    HA   GLN  34           HA       GLN  34  10.356  -4.134  -6.878
  265   1HB   GLN  34          2HB       GLN  34  11.485  -4.299  -8.958
  266   2HB   GLN  34          1HB       GLN  34  12.708  -4.512  -7.713
  267   1HG   GLN  34          2HG       GLN  34  12.240  -7.045  -8.069
  268   2HG   GLN  34          1HG       GLN  34  11.565  -6.510  -9.608
  269   1HE2  GLN  34          1HE2      GLN  34  14.459  -6.362  -7.594
  270   2HE2  GLN  34          2HE2      GLN  34  15.581  -6.242  -8.902
  271    H    PHE  35           H        PHE  35  10.416  -7.623  -6.928
  272    HA   PHE  35           HA       PHE  35   8.121  -7.689  -8.743
  273   1HB   PHE  35          2HB       PHE  35  10.284  -9.532  -8.079
  274   2HB   PHE  35          1HB       PHE  35   8.705 -10.312  -8.085
  275    HD1  PHE  35           1HD      PHE  35   7.332  -8.821 -10.223
  276    HD2  PHE  35           2HD      PHE  35  11.318 -10.297 -10.004
  277    HE1  PHE  35           1HE      PHE  35   7.411  -8.961 -12.679
  278    HE2  PHE  35           2HE      PHE  35  11.405 -10.439 -12.459
  279    HZ   PHE  35           HZ       PHE  35   9.450  -9.770 -13.799
  280    H    ASP  36           H        ASP  36   8.868  -7.896  -5.405
  281    HA   ASP  36           HA       ASP  36   6.399  -9.317  -4.773
  282   1HB   ASP  36          2HB       ASP  36   8.923  -8.792  -3.395
  283   2HB   ASP  36          1HB       ASP  36   7.517  -8.543  -2.365
  284    H    SER  37           H        SER  37   4.805  -7.846  -5.326
  285    HA   SER  37           HA       SER  37   4.764  -5.128  -4.675
  286   1HB   SER  37          2HB       SER  37   2.178  -5.521  -4.806
  287   2HB   SER  37          1HB       SER  37   3.164  -5.731  -6.253
  288    HG   SER  37           HG       SER  37   2.456  -7.695  -6.303
  289    H    ILE  38           H        ILE  38   3.387  -4.026  -3.106
  290    HA   ILE  38           HA       ILE  38   3.618  -5.295  -0.493
  291    HB   ILE  38           HB       ILE  38   2.845  -2.456  -1.174
  292   1HG1  ILE  38          2HG1      ILE  38   5.475  -3.753  -0.482
  293   2HG1  ILE  38          1HG1      ILE  38   5.086  -2.796  -1.902
  294   1HG2  ILE  38          1HG2      ILE  38   3.672  -3.664   1.467
  295   2HG2  ILE  38          2HG2      ILE  38   2.021  -3.241   1.017
  296   3HG2  ILE  38          3HG2      ILE  38   3.243  -1.979   1.170
  297   1HD1  ILE  38          1HD1      ILE  38   5.986  -1.067  -0.865
  298   2HD1  ILE  38          2HD1      ILE  38   6.116  -1.968   0.647
  299   3HD1  ILE  38          3HD1      ILE  38   4.626  -1.105   0.258
  300    H    CYS  39           H        CYS  39   1.121  -3.088  -1.734
  301    HA   CYS  39           HA       CYS  39  -0.918  -4.969  -0.745
  302   1HB   CYS  39          2HB       CYS  39  -0.622  -2.904   0.664
  303   2HB   CYS  39          1HB       CYS  39  -1.139  -1.956  -0.724
  304    HG   CYS  39           HG       CYS  39  -3.368  -1.991   0.789
  305    H    GLU  40           H        GLU  40  -2.736  -5.267  -1.975
  306    HA   GLU  40           HA       GLU  40  -2.998  -3.729  -4.457
  307   1HB   GLU  40          2HB       GLU  40  -3.485  -6.673  -4.572
  308   2HB   GLU  40          1HB       GLU  40  -3.026  -5.566  -5.858
  309   1HG   GLU  40          2HG       GLU  40  -0.777  -5.394  -4.639
  310   2HG   GLU  40          1HG       GLU  40  -1.297  -6.839  -3.772
  311    H    VAL  41           H        VAL  41  -5.016  -3.012  -4.696
  312    HA   VAL  41           HA       VAL  41  -7.181  -4.493  -3.354
  313    HB   VAL  41           HB       VAL  41  -8.305  -2.417  -2.843
  314   1HG1  VAL  41          1HG1      VAL  41  -7.160  -2.508  -0.943
  315   2HG1  VAL  41          2HG1      VAL  41  -5.972  -1.414  -1.654
  316   3HG1  VAL  41          3HG1      VAL  41  -5.748  -3.159  -1.775
  317   1HG2  VAL  41          1HG2      VAL  41  -6.690  -0.310  -3.188
  318   2HG2  VAL  41          2HG2      VAL  41  -7.898  -0.801  -4.376
  319   3HG2  VAL  41          3HG2      VAL  41  -6.211  -1.271  -4.588
  320    H    GLN  42           H        GLN  42  -9.117  -4.691  -4.409
  321    HA   GLN  42           HA       GLN  42  -9.263  -3.601  -7.141
  322   1HB   GLN  42          2HB       GLN  42 -10.016  -6.383  -6.226
  323   2HB   GLN  42          1HB       GLN  42 -10.398  -5.724  -7.811
  324   1HG   GLN  42          2HG       GLN  42  -7.720  -5.291  -7.686
  325   2HG   GLN  42          1HG       GLN  42  -7.879  -6.786  -6.764
  326   1HE2  GLN  42          1HE2      GLN  42  -6.863  -6.000  -9.541
  327   2HE2  GLN  42          2HE2      GLN  42  -7.592  -7.169 -10.583
  328    H    SER  43           H        SER  43 -10.961  -2.308  -7.347
  329    HA   SER  43           HA       SER  43 -13.370  -2.892  -5.753
  330   1HB   SER  43          2HB       SER  43 -11.790  -0.642  -5.533
  331   2HB   SER  43          1HB       SER  43 -13.075  -0.108  -6.615
  332    HG   SER  43           HG       SER  43 -13.383  -1.272  -4.045
  333    H    ASP  44           H        ASP  44 -15.394  -2.434  -6.713
  334    HA   ASP  44           HA       ASP  44 -15.734  -3.228  -9.325
  335   1HB   ASP  44          2HB       ASP  44 -17.988  -1.965  -9.127
  336   2HB   ASP  44          1HB       ASP  44 -17.664  -3.284  -8.005
  337    H    LYS  45           H        LYS  45 -15.102  -0.022  -8.075
  338    HA   LYS  45           HA       LYS  45 -15.683   1.362 -10.505
  339   1HB   LYS  45          2HB       LYS  45 -15.765   2.539  -8.383
  340   2HB   LYS  45          1HB       LYS  45 -14.070   2.180  -8.081
  341   1HG   LYS  45          2HG       LYS  45 -13.963   3.451 -10.497
  342   2HG   LYS  45          1HG       LYS  45 -15.288   4.290  -9.688
  343   1HD   LYS  45          2HD       LYS  45 -13.899   5.320  -8.267
  344   2HD   LYS  45          1HD       LYS  45 -13.004   3.835  -7.939
  345   1HE   LYS  45          2HE       LYS  45 -11.319   4.770  -9.065
  346   2HE   LYS  45          1HE       LYS  45 -12.267   4.460 -10.519
  347   1HZ   LYS  45          1HZ       LYS  45 -11.718   6.715 -10.608
  348   2HZ   LYS  45          2HZ       LYS  45 -12.062   6.972  -8.972
  349   3HZ   LYS  45          3HZ       LYS  45 -13.321   6.703 -10.068
  350    H    ALA  46           H        ALA  46 -12.575   0.809  -8.836
  351    HA   ALA  46           HA       ALA  46 -11.306   0.231 -11.390
  352   1HB   ALA  46          1HB       ALA  46 -10.169   2.130 -11.624
  353   2HB   ALA  46          2HB       ALA  46  -9.663   2.113  -9.934
  354   3HB   ALA  46          3HB       ALA  46 -11.217   2.815 -10.382
  355    H    SER  47           H        SER  47  -9.241  -0.760 -11.192
  356    HA   SER  47           HA       SER  47  -8.710  -1.848  -8.504
  357   1HB   SER  47          2HB       SER  47  -8.486  -3.088 -11.239
  358   2HB   SER  47          1HB       SER  47  -7.569  -3.729  -9.876
  359    HG   SER  47           HG       SER  47 -10.390  -3.434 -10.019
  360    H    VAL  48           H        VAL  48  -6.746  -1.491  -7.633
  361    HA   VAL  48           HA       VAL  48  -4.619  -0.503  -9.414
  362    HB   VAL  48           HB       VAL  48  -5.183   0.552  -6.643
  363   1HG1  VAL  48          1HG1      VAL  48  -2.932   0.889  -6.892
  364   2HG1  VAL  48          2HG1      VAL  48  -3.555   2.361  -7.638
  365   3HG1  VAL  48          3HG1      VAL  48  -3.032   1.013  -8.648
  366   1HG2  VAL  48          1HG2      VAL  48  -5.383   2.453  -8.822
  367   2HG2  VAL  48          2HG2      VAL  48  -6.516   2.116  -7.513
  368   3HG2  VAL  48          3HG2      VAL  48  -6.551   1.141  -8.983
  369    H    THR  49           H        THR  49  -2.787  -1.572  -9.276
  370    HA   THR  49           HA       THR  49  -2.312  -3.284  -6.929
  371    HB   THR  49           HB       THR  49  -0.747  -4.548  -8.356
  372    HG1  THR  49           1HG      THR  49  -1.703  -2.914 -10.488
  373   1HG2  THR  49          1HG2      THR  49  -2.406  -5.854  -9.130
  374   2HG2  THR  49          2HG2      THR  49  -3.090  -4.561 -10.115
  375   3HG2  THR  49          3HG2      THR  49  -3.484  -4.663  -8.399
  376    H    ILE  50           H        ILE  50  -0.608  -2.857  -5.630
  377    HA   ILE  50           HA       ILE  50   1.088  -0.592  -6.378
  378    HB   ILE  50           HB       ILE  50   0.801  -1.906  -3.678
  379   1HG1  ILE  50          2HG1      ILE  50  -1.315  -0.910  -4.344
  380   2HG1  ILE  50          1HG1      ILE  50  -0.558   0.094  -3.111
  381   1HG2  ILE  50          1HG2      ILE  50   1.885   0.120  -2.838
  382   2HG2  ILE  50          2HG2      ILE  50   2.071   0.705  -4.492
  383   3HG2  ILE  50          3HG2      ILE  50   2.921  -0.750  -3.969
  384   1HD1  ILE  50          1HD1      ILE  50  -1.610   1.336  -4.998
  385   2HD1  ILE  50          2HD1      ILE  50  -0.371   0.658  -6.054
  386   3HD1  ILE  50          3HD1      ILE  50   0.089   1.715  -4.719
  387    H    THR  51           H        THR  51   2.854  -1.173  -7.433
  388    HA   THR  51           HA       THR  51   4.262  -3.630  -6.757
  389    HB   THR  51           HB       THR  51   5.834  -2.483  -8.641
  390    HG1  THR  51           1HG      THR  51   4.288  -1.567 -10.183
  391   1HG2  THR  51          1HG2      THR  51   4.681  -3.892 -10.269
  392   2HG2  THR  51          2HG2      THR  51   3.292  -4.021  -9.189
  393   3HG2  THR  51          3HG2      THR  51   4.839  -4.728  -8.724
  394    H    SER  52           H        SER  52   6.838  -3.202  -6.975
  395    HA   SER  52           HA       SER  52   7.412  -1.079  -5.019
  396   1HB   SER  52          2HB       SER  52   8.147  -3.915  -5.094
  397   2HB   SER  52          1HB       SER  52   9.499  -2.838  -4.751
  398    HG   SER  52           HG       SER  52   8.560  -2.209  -2.922
  399    H    ARG  53           H        ARG  53   8.931  -2.982  -7.637
  400    HA   ARG  53           HA       ARG  53  10.416  -2.379  -9.257
  401   1HB   ARG  53          2HB       ARG  53   9.457  -0.530 -10.127
  402   2HB   ARG  53          1HB       ARG  53   9.056   0.115  -8.549
  403   1HG   ARG  53          2HG       ARG  53  10.431   1.719  -9.532
  404   2HG   ARG  53          1HG       ARG  53  11.489   0.863  -8.411
  405   1HD   ARG  53          2HD       ARG  53  12.124  -0.594 -10.424
  406   2HD   ARG  53          1HD       ARG  53  11.356   0.652 -11.406
  407    HE   ARG  53           HE       ARG  53  13.219   1.823  -9.636
  408   1HH1  ARG  53          1HH1      ARG  53  13.060  -0.105 -12.534
  409   2HH1  ARG  53          2HH1      ARG  53  14.576   0.464 -13.150
  410   1HH2  ARG  53          1HH2      ARG  53  15.213   2.580 -10.439
  411   2HH2  ARG  53          2HH2      ARG  53  15.800   1.990 -11.958
  412    H    TYR  54           H        TYR  54  10.952  -2.348  -6.127
  413    HA   TYR  54           HA       TYR  54  13.744  -2.371  -6.272
  414   1HB   TYR  54          2HB       TYR  54  12.560   0.232  -5.814
  415   2HB   TYR  54          1HB       TYR  54  13.497  -0.273  -4.412
  416    HD1  TYR  54           1HD      TYR  54  13.774   1.741  -7.063
  417    HD2  TYR  54           2HD      TYR  54  15.772  -1.653  -5.453
  418    HE1  TYR  54           1HE      TYR  54  15.838   2.417  -8.214
  419    HE2  TYR  54           2HE      TYR  54  17.842  -0.984  -6.598
  420    HH   TYR  54           HH       TYR  54  18.381   0.449  -8.740
  421    H    ASP  55           H        ASP  55  14.645  -2.430  -3.896
  422    HA   ASP  55           HA       ASP  55  12.731  -4.057  -2.405
  423   1HB   ASP  55          2HB       ASP  55  15.609  -3.788  -1.618
  424   2HB   ASP  55          1HB       ASP  55  14.519  -5.154  -1.407
  425    H    GLY  56           H        GLY  56  11.731  -3.298  -0.676
  426   1HA   GLY  56          2HA       GLY  56  12.978  -1.048   0.766
  427   2HA   GLY  56          1HA       GLY  56  11.272  -1.034   0.348
  428    H    VAL  57           H        VAL  57  12.080  -0.678   2.944
  429    HA   VAL  57           HA       VAL  57  11.575  -3.274   4.230
  430    HB   VAL  57           HB       VAL  57  12.492  -0.770   5.626
  431   1HG1  VAL  57          1HG1      VAL  57  12.417  -2.005   7.469
  432   2HG1  VAL  57          2HG1      VAL  57  13.424  -3.246   6.726
  433   3HG1  VAL  57          3HG1      VAL  57  11.672  -3.299   6.530
  434   1HG2  VAL  57          1HG2      VAL  57  14.780  -1.806   5.505
  435   2HG2  VAL  57          2HG2      VAL  57  14.161  -1.173   3.980
  436   3HG2  VAL  57          3HG2      VAL  57  14.136  -2.909   4.289
  437    H    ILE  58           H        ILE  58   9.604  -3.678   4.932
  438    HA   ILE  58           HA       ILE  58   7.751  -1.460   5.447
  439    HB   ILE  58           HB       ILE  58   7.094  -4.406   5.285
  440   1HG1  ILE  58          2HG1      ILE  58   6.901  -2.298   3.132
  441   2HG1  ILE  58          1HG1      ILE  58   8.105  -3.581   3.177
  442   1HG2  ILE  58          1HG2      ILE  58   5.484  -1.889   5.410
  443   2HG2  ILE  58          2HG2      ILE  58   5.304  -3.377   6.340
  444   3HG2  ILE  58          3HG2      ILE  58   4.827  -3.334   4.641
  445   1HD1  ILE  58          1HD1      ILE  58   5.297  -4.437   3.312
  446   2HD1  ILE  58          2HD1      ILE  58   6.659  -5.128   2.430
  447   3HD1  ILE  58          3HD1      ILE  58   5.820  -3.714   1.792
  448    H    LYS  59           H        LYS  59   7.230  -0.920   7.469
  449    HA   LYS  59           HA       LYS  59   8.278  -2.595   9.623
  450   1HB   LYS  59          2HB       LYS  59   8.915  -0.206   9.487
  451   2HB   LYS  59          1HB       LYS  59   7.234   0.229   9.762
  452   1HG   LYS  59          2HG       LYS  59   7.551  -1.300  11.890
  453   2HG   LYS  59          1HG       LYS  59   9.246  -0.871  11.646
  454   1HD   LYS  59          2HD       LYS  59   8.051   1.549  11.365
  455   2HD   LYS  59          1HD       LYS  59   6.983   0.781  12.541
  456   1HE   LYS  59          2HE       LYS  59   8.455   1.328  14.115
  457   2HE   LYS  59          1HE       LYS  59   9.564   0.162  13.394
  458   1HZ   LYS  59          1HZ       LYS  59   9.542   2.682  12.025
  459   2HZ   LYS  59          2HZ       LYS  59  10.850   1.784  12.611
  460   3HZ   LYS  59          3HZ       LYS  59  10.010   2.827  13.645
  461    H    LYS  60           H        LYS  60   5.169  -1.095   8.680
  462    HA   LYS  60           HA       LYS  60   3.889  -3.036  10.448
  463   1HB   LYS  60          2HB       LYS  60   2.575  -1.448  11.628
  464   2HB   LYS  60          1HB       LYS  60   4.247  -0.913  11.732
  465   1HG   LYS  60          2HG       LYS  60   2.313   0.158   9.698
  466   2HG   LYS  60          1HG       LYS  60   2.535   0.877  11.294
  467   1HD   LYS  60          2HD       LYS  60   5.097   0.462  10.120
  468   2HD   LYS  60          1HD       LYS  60   4.068   1.287   8.946
  469   1HE   LYS  60          2HE       LYS  60   4.654   2.152  11.776
  470   2HE   LYS  60          1HE       LYS  60   5.214   2.928  10.295
  471   1HZ   LYS  60          1HZ       LYS  60   2.455   2.779  10.113
  472   2HZ   LYS  60          2HZ       LYS  60   3.393   4.164  10.362
  473   3HZ   LYS  60          3HZ       LYS  60   2.784   3.306  11.687
  474    H    LEU  61           H        LEU  61   1.806  -3.558  10.000
  475    HA   LEU  61           HA       LEU  61   0.500  -2.341   7.682
  476   1HB   LEU  61          2HB       LEU  61   1.105  -5.273   8.058
  477   2HB   LEU  61          1HB       LEU  61  -0.151  -4.702   6.975
  478    HG   LEU  61           HG       LEU  61   2.535  -3.522   6.576
  479   1HD1  LEU  61          1HD1      LEU  61   2.276  -6.080   5.217
  480   2HD1  LEU  61          2HD1      LEU  61   2.435  -6.234   6.966
  481   3HD1  LEU  61          3HD1      LEU  61   3.662  -5.367   6.043
  482   1HD2  LEU  61          1HD2      LEU  61   1.851  -3.979   4.192
  483   2HD2  LEU  61          2HD2      LEU  61   0.816  -2.865   5.085
  484   3HD2  LEU  61          3HD2      LEU  61   0.305  -4.533   4.833
  485    H    TYR  62           H        TYR  62  -1.698  -2.142   7.966
  486    HA   TYR  62           HA       TYR  62  -2.781  -3.350  10.427
  487   1HB   TYR  62          2HB       TYR  62  -2.640  -0.665   9.697
  488   2HB   TYR  62          1HB       TYR  62  -4.320  -1.109   9.417
  489    HD1  TYR  62           1HD      TYR  62  -5.232  -2.719  11.449
  490    HD2  TYR  62           2HD      TYR  62  -2.231   0.281  11.751
  491    HE1  TYR  62           1HE      TYR  62  -5.692  -2.510  13.855
  492    HE2  TYR  62           2HE      TYR  62  -2.682   0.498  14.158
  493    HH   TYR  62           HH       TYR  62  -4.628  -1.745  15.873
  494    H    TYR  63           H        TYR  63  -3.665  -2.391   7.121
  495    HA   TYR  63           HA       TYR  63  -6.143  -3.885   7.307
  496   1HB   TYR  63          2HB       TYR  63  -4.974  -2.387   4.956
  497   2HB   TYR  63          1HB       TYR  63  -6.619  -3.004   5.086
  498    HD1  TYR  63           1HD      TYR  63  -8.308  -1.690   6.054
  499    HD2  TYR  63           2HD      TYR  63  -4.236  -0.605   6.635
  500    HE1  TYR  63           1HE      TYR  63  -9.021   0.423   7.095
  501    HE2  TYR  63           2HE      TYR  63  -4.940   1.508   7.673
  502    HH   TYR  63           HH       TYR  63  -7.941   2.088   8.810
  503    H    ASN  64           H        ASN  64  -6.613  -5.773   6.324
  504    HA   ASN  64           HA       ASN  64  -4.412  -7.137   4.923
  505   1HB   ASN  64          2HB       ASN  64  -6.536  -8.315   6.724
  506   2HB   ASN  64          1HB       ASN  64  -5.366  -9.260   5.804
  507   1HD2  ASN  64          1HD2      ASN  64  -3.032  -8.209   6.146
  508   2HD2  ASN  64          2HD2      ASN  64  -2.593  -8.058   7.810
  509    H    LEU  65           H        LEU  65  -5.567  -9.282   3.945
  510    HA   LEU  65           HA       LEU  65  -6.748  -8.531   1.589
  511   1HB   LEU  65          2HB       LEU  65  -6.724 -11.110   3.120
  512   2HB   LEU  65          1HB       LEU  65  -7.496 -10.984   1.559
  513    HG   LEU  65           HG       LEU  65  -4.897  -9.902   1.274
  514   1HD1  LEU  65          1HD1      LEU  65  -5.037 -12.094   3.200
  515   2HD1  LEU  65          2HD1      LEU  65  -3.730 -10.959   2.860
  516   3HD1  LEU  65          3HD1      LEU  65  -3.936 -12.392   1.854
  517   1HD2  LEU  65          1HD2      LEU  65  -5.001 -12.511   0.199
  518   2HD2  LEU  65          2HD2      LEU  65  -5.238 -10.977  -0.638
  519   3HD2  LEU  65          3HD2      LEU  65  -6.620 -11.827   0.054
  520    H    ASP  66           H        ASP  66  -8.265  -9.079   4.680
  521    HA   ASP  66           HA       ASP  66 -10.914  -9.067   3.427
  522   1HB   ASP  66          2HB       ASP  66  -9.998  -9.800   6.205
  523   2HB   ASP  66          1HB       ASP  66 -11.697  -9.670   5.759
  524    H    ASP  67           H        ASP  67  -8.835  -7.093   5.407
  525    HA   ASP  67           HA       ASP  67 -10.937  -5.405   6.370
  526   1HB   ASP  67          2HB       ASP  67  -8.346  -5.798   7.126
  527   2HB   ASP  67          1HB       ASP  67  -8.249  -4.239   6.309
  528    H    ILE  68           H        ILE  68 -11.210  -3.188   5.905
  529    HA   ILE  68           HA       ILE  68 -10.747  -2.516   3.069
  530    HB   ILE  68           HB       ILE  68 -12.757  -1.031   4.678
  531   1HG1  ILE  68          2HG1      ILE  68 -13.143  -3.441   5.247
  532   2HG1  ILE  68          1HG1      ILE  68 -14.485  -2.687   4.390
  533   1HG2  ILE  68          1HG2      ILE  68 -12.972  -2.116   1.891
  534   2HG2  ILE  68          2HG2      ILE  68 -12.131  -0.604   2.255
  535   3HG2  ILE  68          3HG2      ILE  68 -13.851  -0.775   2.612
  536   1HD1  ILE  68          1HD1      ILE  68 -12.530  -3.978   2.652
  537   2HD1  ILE  68          2HD1      ILE  68 -14.291  -4.062   2.643
  538   3HD1  ILE  68          3HD1      ILE  68 -13.365  -5.075   3.752
  539    H    ALA  69           H        ALA  69  -9.878  -0.610   2.505
  540    HA   ALA  69           HA       ALA  69  -8.804   1.021   4.696
  541   1HB   ALA  69          1HB       ALA  69  -7.060   1.695   3.255
  542   2HB   ALA  69          2HB       ALA  69  -7.897   1.080   1.831
  543   3HB   ALA  69          3HB       ALA  69  -7.237  -0.043   3.017
  544    H    TYR  70           H        TYR  70  -9.013   3.249   4.668
  545    HA   TYR  70           HA       TYR  70 -11.196   4.259   2.982
  546   1HB   TYR  70          2HB       TYR  70 -10.252   5.817   5.336
  547   2HB   TYR  70          1HB       TYR  70 -11.881   5.613   4.704
  548    HD1  TYR  70           1HD      TYR  70 -12.020   2.616   4.688
  549    HD2  TYR  70           2HD      TYR  70 -10.545   5.332   7.611
  550    HE1  TYR  70           1HE      TYR  70 -12.491   0.966   6.451
  551    HE2  TYR  70           2HE      TYR  70 -11.011   3.690   9.380
  552    HH   TYR  70           HH       TYR  70 -11.400   0.595   8.964
  553    H    VAL  71           H        VAL  71 -11.008   6.266   1.954
  554    HA   VAL  71           HA       VAL  71  -8.306   6.912   1.154
  555    HB   VAL  71           HB       VAL  71 -10.736   8.445   0.278
  556   1HG1  VAL  71          1HG1      VAL  71  -8.390   7.643  -1.396
  557   2HG1  VAL  71          2HG1      VAL  71  -8.285   9.017  -0.296
  558   3HG1  VAL  71          3HG1      VAL  71  -9.485   9.011  -1.589
  559   1HG2  VAL  71          1HG2      VAL  71 -11.592   6.784  -0.948
  560   2HG2  VAL  71          2HG2      VAL  71 -10.642   5.696   0.059
  561   3HG2  VAL  71          3HG2      VAL  71 -10.003   6.246  -1.486
  562    H    GLY  72           H        GLY  72  -7.123   8.644   1.768
  563   1HA   GLY  72          2HA       GLY  72  -7.211  11.063   2.333
  564   2HA   GLY  72          1HA       GLY  72  -8.469  10.641   3.482
  565    H    LYS  73           H        LYS  73  -6.277   8.172   3.636
  566    HA   LYS  73           HA       LYS  73  -4.351   9.506   5.334
  567   1HB   LYS  73          2HB       LYS  73  -6.671   8.145   6.425
  568   2HB   LYS  73          1HB       LYS  73  -5.169   7.436   7.003
  569   1HG   LYS  73          2HG       LYS  73  -4.422   9.647   7.750
  570   2HG   LYS  73          1HG       LYS  73  -5.946  10.339   7.192
  571   1HD   LYS  73          2HD       LYS  73  -6.430  10.012   9.409
  572   2HD   LYS  73          1HD       LYS  73  -6.976   8.474   8.738
  573   1HE   LYS  73          2HE       LYS  73  -4.591   7.652   9.237
  574   2HE   LYS  73          1HE       LYS  73  -4.466   9.080  10.264
  575   1HZ   LYS  73          1HZ       LYS  73  -5.845   8.208  11.792
  576   2HZ   LYS  73          2HZ       LYS  73  -5.383   6.730  11.110
  577   3HZ   LYS  73          3HZ       LYS  73  -6.840   7.455  10.648
  578    HA   PRO  74           HA       PRO  74  -1.589   6.417   3.825
  579   1HB   PRO  74          2HB       PRO  74  -0.511   6.391   6.602
  580   2HB   PRO  74          1HB       PRO  74   0.336   6.621   5.067
  581   1HG   PRO  74          2HG       PRO  74  -0.123   8.702   6.635
  582   2HG   PRO  74          1HG       PRO  74  -0.340   8.843   4.878
  583   1HD   PRO  74          2HD       PRO  74  -2.409   8.532   7.022
  584   2HD   PRO  74          1HD       PRO  74  -2.430   9.563   5.575
  585    H    LEU  75           H        LEU  75  -0.876   4.192   4.203
  586    HA   LEU  75           HA       LEU  75  -2.705   2.721   5.982
  587   1HB   LEU  75          2HB       LEU  75  -3.332   2.546   3.582
  588   2HB   LEU  75          1HB       LEU  75  -1.764   1.834   3.256
  589    HG   LEU  75           HG       LEU  75  -3.676   0.595   5.211
  590   1HD1  LEU  75          1HD1      LEU  75  -4.683   0.928   2.900
  591   2HD1  LEU  75          2HD1      LEU  75  -4.641  -0.722   3.526
  592   3HD1  LEU  75          3HD1      LEU  75  -3.456  -0.203   2.327
  593   1HD2  LEU  75          1HD2      LEU  75  -2.222  -1.372   3.979
  594   2HD2  LEU  75          2HD2      LEU  75  -1.852  -0.653   5.546
  595   3HD2  LEU  75          3HD2      LEU  75  -1.061  -0.049   4.089
  596    H    VAL  76           H        VAL  76   0.367   2.514   4.180
  597    HA   VAL  76           HA       VAL  76   1.520   1.114   6.487
  598    HB   VAL  76           HB       VAL  76   0.791  -0.615   4.860
  599   1HG1  VAL  76          1HG1      VAL  76   1.140  -0.390   2.680
  600   2HG1  VAL  76          2HG1      VAL  76   2.882  -0.286   2.938
  601   3HG1  VAL  76          3HG1      VAL  76   1.894   1.175   2.985
  602   1HG2  VAL  76          1HG2      VAL  76   3.589  -1.085   4.568
  603   2HG2  VAL  76          2HG2      VAL  76   2.456  -1.809   5.706
  604   3HG2  VAL  76          3HG2      VAL  76   3.297  -0.321   6.130
  605    H    ASP  77           H        ASP  77   3.716   1.443   6.809
  606    HA   ASP  77           HA       ASP  77   4.929   3.479   5.073
  607   1HB   ASP  77          2HB       ASP  77   6.022   2.764   7.770
  608   2HB   ASP  77          1HB       ASP  77   6.146   4.281   6.890
  609    H    ILE  78           H        ILE  78   6.588   2.976   3.849
  610    HA   ILE  78           HA       ILE  78   8.242   0.632   4.491
  611    HB   ILE  78           HB       ILE  78   7.475   1.202   1.653
  612   1HG1  ILE  78          2HG1      ILE  78   5.867  -0.902   2.261
  613   2HG1  ILE  78          1HG1      ILE  78   5.770   0.026   3.757
  614   1HG2  ILE  78          1HG2      ILE  78   8.547  -1.161   3.159
  615   2HG2  ILE  78          2HG2      ILE  78   9.290  -0.268   1.831
  616   3HG2  ILE  78          3HG2      ILE  78   7.892  -1.300   1.527
  617   1HD1  ILE  78          1HD1      ILE  78   4.374   1.461   2.835
  618   2HD1  ILE  78          2HD1      ILE  78   4.337   0.437   1.400
  619   3HD1  ILE  78          3HD1      ILE  78   5.490   1.770   1.502
  620    H    GLU  79           H        GLU  79  10.397   0.728   3.640
  621    HA   GLU  79           HA       GLU  79  11.189   3.471   2.951
  622   1HB   GLU  79          2HB       GLU  79  12.540   1.163   4.250
  623   2HB   GLU  79          1HB       GLU  79  13.545   2.196   3.242
  624   1HG   GLU  79          2HG       GLU  79  12.428   4.114   4.629
  625   2HG   GLU  79          1HG       GLU  79  12.137   2.817   5.788
  626    H    THR  80           H        THR  80  11.284   3.874   0.856
  627    HA   THR  80           HA       THR  80  12.571   1.942  -0.926
  628    HB   THR  80           HB       THR  80  10.376   3.177  -2.325
  629    HG1  THR  80           1HG      THR  80   9.702   1.646  -0.014
  630   1HG2  THR  80          1HG2      THR  80  11.777   0.759  -2.300
  631   2HG2  THR  80          2HG2      THR  80  10.458   1.210  -3.380
  632   3HG2  THR  80          3HG2      THR  80  10.115   0.330  -1.888
  633    H    GLU  81           H        GLU  81  13.306   2.888  -2.946
  634    HA   GLU  81           HA       GLU  81  14.577   5.349  -2.621
  635   1HB   GLU  81          2HB       GLU  81  15.133   3.508  -4.286
  636   2HB   GLU  81          1HB       GLU  81  13.842   4.152  -5.292
  637   1HG   GLU  81          2HG       GLU  81  15.654   6.231  -4.440
  638   2HG   GLU  81          1HG       GLU  81  16.502   4.932  -5.277
  639    H    ALA  82           H        ALA  82  14.223   7.386  -3.654
  640    HA   ALA  82           HA       ALA  82  11.774   8.532  -3.302
  641   1HB   ALA  82          1HB       ALA  82  13.636   9.947  -3.603
  642   2HB   ALA  82          2HB       ALA  82  12.552  10.288  -4.951
  643   3HB   ALA  82          3HB       ALA  82  13.979   9.284  -5.201
  644    H    LEU  83           H        LEU  83   9.880   7.929  -4.116
  645    HA   LEU  83           HA       LEU  83   9.730   7.268  -6.984
  646   1HB   LEU  83          2HB       LEU  83   8.114   6.285  -4.642
  647   2HB   LEU  83          1HB       LEU  83   7.559   6.106  -6.295
  648    HG   LEU  83           HG       LEU  83  10.003   4.863  -5.047
  649   1HD1  LEU  83          1HD1      LEU  83   8.168   3.152  -6.486
  650   2HD1  LEU  83          2HD1      LEU  83   7.369   4.019  -5.173
  651   3HD1  LEU  83          3HD1      LEU  83   8.782   3.019  -4.838
  652   1HD2  LEU  83          1HD2      LEU  83   9.452   5.526  -7.823
  653   2HD2  LEU  83          2HD2      LEU  83   9.725   3.801  -7.575
  654   3HD2  LEU  83          3HD2      LEU  83  10.945   4.969  -7.068
  655    H    LYS  84           H        LYS  84   8.408   8.429  -8.259
  656    HA   LYS  84           HA       LYS  84   7.472  10.929  -7.509
  657   1HB   LYS  84          2HB       LYS  84   7.132   9.155  -9.840
  658   2HB   LYS  84          1HB       LYS  84   5.871  10.362  -9.629
  659   1HG   LYS  84          2HG       LYS  84   7.559  12.126  -9.602
  660   2HG   LYS  84          1HG       LYS  84   8.825  10.915  -9.813
  661   1HD   LYS  84          2HD       LYS  84   8.524  10.926 -12.015
  662   2HD   LYS  84          1HD       LYS  84   6.809  10.558 -11.817
  663   1HE   LYS  84          2HE       LYS  84   6.438  12.581 -12.691
  664   2HE   LYS  84          1HE       LYS  84   6.948  13.212 -11.126
  665   1HZ   LYS  84          1HZ       LYS  84   8.119  14.241 -13.008
  666   2HZ   LYS  84          2HZ       LYS  84   8.768  12.735 -13.423
  667   3HZ   LYS  84          3HZ       LYS  84   9.176  13.454 -11.947
  668    H    ASP  85           H        ASP  85   6.018   7.832  -7.074
  669    HA   ASP  85           HA       ASP  85   3.336   8.231  -7.044
  670   1HB   ASP  85          2HB       ASP  85   5.180   6.498  -5.588
  671   2HB   ASP  85          1HB       ASP  85   3.699   6.820  -4.692
  672    H    LEU  86           H        LEU  86   5.559   9.149  -4.425
  673    HA   LEU  86           HA       LEU  86   3.366  10.664  -3.181
  674   1HB   LEU  86          2HB       LEU  86   5.126   8.889  -2.046
  675   2HB   LEU  86          1HB       LEU  86   5.876  10.433  -1.686
  676    HG   LEU  86           HG       LEU  86   3.423  11.044  -0.879
  677   1HD1  LEU  86          1HD1      LEU  86   3.547   8.045  -0.643
  678   2HD1  LEU  86          2HD1      LEU  86   2.341   9.007  -1.497
  679   3HD1  LEU  86          3HD1      LEU  86   2.430   9.065   0.264
  680   1HD2  LEU  86          1HD2      LEU  86   5.735   9.793   0.458
  681   2HD2  LEU  86          2HD2      LEU  86   4.222   9.794   1.365
  682   3HD2  LEU  86          3HD2      LEU  86   4.910  11.315   0.796
  683    H    GLU  87           H        GLU  87   6.456  10.939  -4.715
  684    HA   GLU  87           HA       GLU  87   6.217  13.671  -5.225
  685   1HB   GLU  87          2HB       GLU  87   8.144  14.452  -3.742
  686   2HB   GLU  87          1HB       GLU  87   6.589  14.198  -2.962
  687   1HG   GLU  87          2HG       GLU  87   7.296  12.197  -1.960
  688   2HG   GLU  87          1HG       GLU  87   8.717  12.087  -2.996
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1  19.028   5.600   6.519
    2   2H    MET   1          2HT       MET   1  20.422   6.530   6.747
    3   3H    MET   1          3HT       MET   1  20.033   5.955   5.205
    4    HA   MET   1           HA       MET   1  19.523   8.409   5.896
    5   1HB   MET   1          2HB       MET   1  17.823   6.516   4.275
    6   2HB   MET   1          1HB       MET   1  17.536   8.250   4.294
    7   1HG   MET   1          2HG       MET   1  19.859   8.591   3.498
    8   2HG   MET   1          1HG       MET   1  20.026   6.841   3.362
    9   1HE   MET   1          1HE       MET   1  19.458   6.142   0.113
   10   2HE   MET   1          2HE       MET   1  20.641   6.534   1.362
   11   3HE   MET   1          3HE       MET   1  20.340   7.667   0.044
   12    H    GLY   2           H        GLY   2  16.680   6.266   5.971
   13   1HA   GLY   2          2HA       GLY   2  15.375   6.016   8.021
   14   2HA   GLY   2          1HA       GLY   2  15.810   7.670   8.419
   15    H    GLN   3           H        GLN   3  15.278   7.902   5.244
   16    HA   GLN   3           HA       GLN   3  12.587   8.903   5.638
   17   1HB   GLN   3          2HB       GLN   3  14.584   9.063   3.403
   18   2HB   GLN   3          1HB       GLN   3  12.909   9.535   3.154
   19   1HG   GLN   3          2HG       GLN   3  13.748  11.555   3.718
   20   2HG   GLN   3          1HG       GLN   3  13.389  10.962   5.339
   21   1HE2  GLN   3          1HE2      GLN   3  15.077  12.782   5.587
   22   2HE2  GLN   3          2HE2      GLN   3  16.719  12.253   5.693
   23    H    VAL   4           H        VAL   4  10.751   8.126   4.706
   24    HA   VAL   4           HA       VAL   4  10.938   5.787   2.955
   25    HB   VAL   4           HB       VAL   4   9.097   4.679   4.248
   26   1HG1  VAL   4          1HG1      VAL   4  10.967   3.520   4.711
   27   2HG1  VAL   4          2HG1      VAL   4  10.825   4.284   6.296
   28   3HG1  VAL   4          3HG1      VAL   4  11.900   4.974   5.077
   29   1HG2  VAL   4          1HG2      VAL   4   9.762   6.869   6.198
   30   2HG2  VAL   4          2HG2      VAL   4   8.963   5.371   6.677
   31   3HG2  VAL   4          3HG2      VAL   4   8.189   6.451   5.517
   32    H    VAL   5           H        VAL   5   9.161   5.457   1.608
   33    HA   VAL   5           HA       VAL   5   7.437   7.806   1.296
   34    HB   VAL   5           HB       VAL   5   6.873   6.868  -0.913
   35   1HG1  VAL   5          1HG1      VAL   5   9.842   7.025  -0.400
   36   2HG1  VAL   5          2HG1      VAL   5   8.768   8.389  -0.711
   37   3HG1  VAL   5          3HG1      VAL   5   9.056   7.189  -1.970
   38   1HG2  VAL   5          1HG2      VAL   5   7.146   4.481  -0.263
   39   2HG2  VAL   5          2HG2      VAL   5   8.894   4.715  -0.299
   40   3HG2  VAL   5          3HG2      VAL   5   7.950   4.899  -1.776
   41    H    GLN   6           H        GLN   6   5.294   7.723   1.677
   42    HA   GLN   6           HA       GLN   6   4.249   5.213   2.739
   43   1HB   GLN   6          2HB       GLN   6   3.847   8.039   3.307
   44   2HB   GLN   6          1HB       GLN   6   2.333   7.153   3.190
   45   1HG   GLN   6          2HG       GLN   6   2.627   6.437   5.251
   46   2HG   GLN   6          1HG       GLN   6   4.064   5.565   4.722
   47   1HE2  GLN   6          1HE2      GLN   6   5.625   7.841   4.066
   48   2HE2  GLN   6          2HE2      GLN   6   6.056   8.627   5.543
   49    H    PHE   7           H        PHE   7   2.528   4.149   1.969
   50    HA   PHE   7           HA       PHE   7   1.411   5.073  -0.576
   51   1HB   PHE   7          2HB       PHE   7   2.257   2.900  -0.893
   52   2HB   PHE   7          1HB       PHE   7   1.721   2.358   0.690
   53    HD1  PHE   7           1HD      PHE   7   0.100   0.749   0.591
   54    HD2  PHE   7           2HD      PHE   7   0.078   3.865  -2.303
   55    HE1  PHE   7           1HE      PHE   7  -1.929  -0.205  -0.414
   56    HE2  PHE   7           2HE      PHE   7  -1.950   2.918  -3.315
   57    HZ   PHE   7           HZ       PHE   7  -2.960   0.878  -2.372
   58    H    LYS   8           H        LYS   8  -0.671   5.659  -0.719
   59    HA   LYS   8           HA       LYS   8  -2.394   5.203   1.628
   60   1HB   LYS   8          2HB       LYS   8  -3.454   7.380   1.120
   61   2HB   LYS   8          1HB       LYS   8  -1.751   7.534   1.530
   62   1HG   LYS   8          2HG       LYS   8  -2.149   7.215  -1.319
   63   2HG   LYS   8          1HG       LYS   8  -3.022   8.607  -0.672
   64   1HD   LYS   8          2HD       LYS   8  -0.208   8.198   0.194
   65   2HD   LYS   8          1HD       LYS   8  -0.493   8.776  -1.450
   66   1HE   LYS   8          2HE       LYS   8  -2.077  10.141   0.601
   67   2HE   LYS   8          1HE       LYS   8  -0.336  10.358   0.771
   68   1HZ   LYS   8          1HZ       LYS   8  -0.852  12.055  -0.644
   69   2HZ   LYS   8          2HZ       LYS   8  -2.111  11.216  -1.399
   70   3HZ   LYS   8          3HZ       LYS   8  -0.505  10.844  -1.774
   71    H    LEU   9           H        LEU   9  -4.531   4.719   1.292
   72    HA   LEU   9           HA       LEU   9  -5.279   3.190  -0.882
   73   1HB   LEU   9          2HB       LEU   9  -6.387   3.342   1.357
   74   2HB   LEU   9          1HB       LEU   9  -7.106   4.849   0.854
   75    HG   LEU   9           HG       LEU   9  -8.679   2.952   0.741
   76   1HD1  LEU   9          1HD1      LEU   9  -8.436   5.002  -0.974
   77   2HD1  LEU   9          2HD1      LEU   9  -9.726   3.804  -1.067
   78   3HD1  LEU   9          3HD1      LEU   9  -8.307   3.653  -2.103
   79   1HD2  LEU   9          1HD2      LEU   9  -6.482   1.696  -0.623
   80   2HD2  LEU   9          2HD2      LEU   9  -7.943   1.668  -1.615
   81   3HD2  LEU   9          3HD2      LEU   9  -7.972   0.997   0.021
   82    H    SER  10           H        SER  10  -5.444   3.781  -2.957
   83    HA   SER  10           HA       SER  10  -6.841   6.272  -3.595
   84   1HB   SER  10          2HB       SER  10  -4.044   5.553  -4.405
   85   2HB   SER  10          1HB       SER  10  -5.040   6.539  -5.475
   86    HG   SER  10           HG       SER  10  -4.657   8.165  -4.218
   87    H    ASP  11           H        ASP  11  -8.465   5.770  -4.847
   88    HA   ASP  11           HA       ASP  11  -8.321   4.609  -7.348
   89   1HB   ASP  11          2HB       ASP  11  -7.762   2.502  -6.218
   90   2HB   ASP  11          1HB       ASP  11  -9.220   2.629  -5.239
   91    H    ILE  12           H        ILE  12 -10.208   5.063  -4.437
   92    HA   ILE  12           HA       ILE  12 -12.619   5.512  -6.055
   93    HB   ILE  12           HB       ILE  12 -13.624   5.613  -3.594
   94   1HG1  ILE  12          2HG1      ILE  12 -11.247   5.227  -2.676
   95   2HG1  ILE  12          1HG1      ILE  12 -12.550   4.259  -1.999
   96   1HG2  ILE  12          1HG2      ILE  12 -14.384   4.129  -5.330
   97   2HG2  ILE  12          2HG2      ILE  12 -14.188   3.227  -3.828
   98   3HG2  ILE  12          3HG2      ILE  12 -12.978   3.088  -5.104
   99   1HD1  ILE  12          1HD1      ILE  12 -10.159   3.306  -2.910
  100   2HD1  ILE  12          2HD1      ILE  12 -11.232   3.002  -4.276
  101   3HD1  ILE  12          3HD1      ILE  12 -11.623   2.351  -2.684
  102    H    GLY  13           H        GLY  13 -14.121   7.229  -4.973
  103   1HA   GLY  13          2HA       GLY  13 -12.700   9.714  -5.097
  104   2HA   GLY  13          1HA       GLY  13 -14.422   9.512  -4.816
  105    H    GLU  14           H        GLU  14 -12.992  11.448  -3.483
  106    HA   GLU  14           HA       GLU  14 -12.287  10.453  -0.856
  107   1HB   GLU  14          2HB       GLU  14 -12.124  13.053  -2.278
  108   2HB   GLU  14          1HB       GLU  14 -12.266  13.117  -0.527
  109   1HG   GLU  14          2HG       GLU  14 -10.249  11.984  -0.204
  110   2HG   GLU  14          1HG       GLU  14 -10.206  11.408  -1.871
  111    H    GLY  15           H        GLY  15 -14.409   9.533  -0.407
  112   1HA   GLY  15          2HA       GLY  15 -15.899  10.720   1.465
  113   2HA   GLY  15          1HA       GLY  15 -16.604  11.396   0.003
  114    H    ILE  16           H        ILE  16 -16.272   9.069  -1.618
  115    HA   ILE  16           HA       ILE  16 -18.664   7.703  -1.005
  116    HB   ILE  16           HB       ILE  16 -18.201   6.298  -2.890
  117   1HG1  ILE  16          2HG1      ILE  16 -15.627   7.236  -3.736
  118   2HG1  ILE  16          1HG1      ILE  16 -15.494   6.623  -2.089
  119   1HG2  ILE  16          1HG2      ILE  16 -17.290   8.201  -4.512
  120   2HG2  ILE  16          2HG2      ILE  16 -17.615   9.192  -3.089
  121   3HG2  ILE  16          3HG2      ILE  16 -18.910   8.241  -3.817
  122   1HD1  ILE  16          1HD1      ILE  16 -15.831   5.195  -4.587
  123   2HD1  ILE  16          2HD1      ILE  16 -16.999   4.704  -3.360
  124   3HD1  ILE  16          3HD1      ILE  16 -15.272   4.623  -3.015
  125    H    ARG  17           H        ARG  17 -18.220   5.043  -1.418
  126    HA   ARG  17           HA       ARG  17 -17.549   4.109   1.137
  127   1HB   ARG  17          2HB       ARG  17 -18.333   2.945  -1.427
  128   2HB   ARG  17          1HB       ARG  17 -17.239   1.914  -0.516
  129   1HG   ARG  17          2HG       ARG  17 -19.241   2.927   1.245
  130   2HG   ARG  17          1HG       ARG  17 -20.013   2.233  -0.182
  131   1HD   ARG  17          2HD       ARG  17 -19.409   0.137   0.359
  132   2HD   ARG  17          1HD       ARG  17 -17.810   0.636   0.909
  133    HE   ARG  17           HE       ARG  17 -19.786   1.476   2.747
  134   1HH1  ARG  17          1HH1      ARG  17 -18.114  -1.370   1.641
  135   2HH1  ARG  17          2HH1      ARG  17 -18.271  -2.207   3.149
  136   1HH2  ARG  17          1HH2      ARG  17 -19.998   0.385   4.738
  137   2HH2  ARG  17          2HH2      ARG  17 -19.343  -1.209   4.910
  138    H    GLU  18           H        GLU  18 -15.786   2.824   1.836
  139    HA   GLU  18           HA       GLU  18 -13.270   3.513   0.499
  140   1HB   GLU  18          2HB       GLU  18 -13.927   2.608   3.299
  141   2HB   GLU  18          1HB       GLU  18 -12.273   2.703   2.700
  142   1HG   GLU  18          2HG       GLU  18 -12.297   4.799   3.442
  143   2HG   GLU  18          1HG       GLU  18 -13.308   5.157   2.041
  144    H    VAL  19           H        VAL  19 -11.505   1.626   0.839
  145    HA   VAL  19           HA       VAL  19 -12.917  -0.866   0.104
  146    HB   VAL  19           HB       VAL  19 -11.924   0.289  -1.863
  147   1HG1  VAL  19          1HG1      VAL  19  -9.924   1.190  -0.837
  148   2HG1  VAL  19          2HG1      VAL  19  -9.494   0.137  -2.186
  149   3HG1  VAL  19          3HG1      VAL  19  -9.322  -0.438  -0.527
  150   1HG2  VAL  19          1HG2      VAL  19 -12.348  -2.199  -1.648
  151   2HG2  VAL  19          2HG2      VAL  19 -10.617  -2.370  -1.357
  152   3HG2  VAL  19          3HG2      VAL  19 -11.193  -1.706  -2.887
  153    H    THR  20           H        THR  20 -12.035  -2.829   0.588
  154    HA   THR  20           HA       THR  20 -10.108  -2.823   2.797
  155    HB   THR  20           HB       THR  20 -11.504  -5.322   2.008
  156    HG1  THR  20           1HG      THR  20 -13.410  -4.444   2.163
  157   1HG2  THR  20          1HG2      THR  20 -11.219  -4.071   4.730
  158   2HG2  THR  20          2HG2      THR  20  -9.937  -5.029   3.988
  159   3HG2  THR  20          3HG2      THR  20 -11.502  -5.763   4.330
  160    H    VAL  21           H        VAL  21  -8.456  -4.461   2.882
  161    HA   VAL  21           HA       VAL  21  -7.186  -4.827   0.315
  162    HB   VAL  21           HB       VAL  21  -6.314  -5.879   3.011
  163   1HG1  VAL  21          1HG1      VAL  21  -5.171  -5.951   0.295
  164   2HG1  VAL  21          2HG1      VAL  21  -4.948  -7.056   1.649
  165   3HG1  VAL  21          3HG1      VAL  21  -4.053  -5.538   1.592
  166   1HG2  VAL  21          1HG2      VAL  21  -5.903  -3.247   1.650
  167   2HG2  VAL  21          2HG2      VAL  21  -4.677  -3.882   2.747
  168   3HG2  VAL  21          3HG2      VAL  21  -6.314  -3.584   3.331
  169    H    LYS  22           H        LYS  22  -7.193  -6.616  -0.919
  170    HA   LYS  22           HA       LYS  22  -8.673  -8.938   0.085
  171   1HB   LYS  22          2HB       LYS  22  -8.922  -7.575  -2.271
  172   2HB   LYS  22          1HB       LYS  22  -7.883  -8.911  -2.749
  173   1HG   LYS  22          2HG       LYS  22 -10.225  -9.644  -1.125
  174   2HG   LYS  22          1HG       LYS  22 -10.571  -9.016  -2.737
  175   1HD   LYS  22          2HD       LYS  22  -8.441 -10.811  -3.056
  176   2HD   LYS  22          1HD       LYS  22  -9.575 -11.602  -1.959
  177   1HE   LYS  22          2HE       LYS  22 -10.732 -10.262  -4.327
  178   2HE   LYS  22          1HE       LYS  22  -9.783 -11.717  -4.631
  179   1HZ   LYS  22          1HZ       LYS  22 -11.404 -12.340  -2.503
  180   2HZ   LYS  22          2HZ       LYS  22 -11.596 -12.854  -4.103
  181   3HZ   LYS  22          3HZ       LYS  22 -12.404 -11.473  -3.557
  182    H    GLU  23           H        GLU  23  -5.540  -7.932  -1.041
  183    HA   GLU  23           HA       GLU  23  -4.494 -10.568  -0.326
  184   1HB   GLU  23          2HB       GLU  23  -4.393  -9.307  -2.994
  185   2HB   GLU  23          1HB       GLU  23  -2.877  -9.992  -2.423
  186   1HG   GLU  23          2HG       GLU  23  -5.426 -11.564  -2.366
  187   2HG   GLU  23          1HG       GLU  23  -4.427 -11.471  -3.815
  188    H    TRP  24           H        TRP  24  -2.736 -10.465   0.904
  189    HA   TRP  24           HA       TRP  24  -1.199  -7.950   0.973
  190   1HB   TRP  24          2HB       TRP  24  -2.490  -9.473   3.157
  191   2HB   TRP  24          1HB       TRP  24  -0.861  -8.903   3.496
  192    HD1  TRP  24           HD       TRP  24  -4.299  -7.830   3.836
  193    HE1  TRP  24           1HE      TRP  24  -4.473  -5.279   4.143
  194    HE3  TRP  24           3HE      TRP  24   0.413  -6.517   2.377
  195    HZ2  TRP  24           2HZ      TRP  24  -2.830  -3.013   3.814
  196    HZ3  TRP  24           3HZ      TRP  24   1.033  -4.138   2.402
  197    HH2  TRP  24           HH       TRP  24  -0.556  -2.423   3.102
  198    H    TYR  25           H        TYR  25   0.852  -8.257   0.374
  199    HA   TYR  25           HA       TYR  25   2.050 -10.912   0.860
  200   1HB   TYR  25          2HB       TYR  25   2.152  -9.100  -1.510
  201   2HB   TYR  25          1HB       TYR  25   3.546 -10.117  -1.165
  202    HD1  TYR  25           1HD      TYR  25   0.595  -9.941  -2.977
  203    HD2  TYR  25           2HD      TYR  25   2.850 -12.666  -0.611
  204    HE1  TYR  25           1HE      TYR  25  -0.511 -11.826  -4.104
  205    HE2  TYR  25           2HE      TYR  25   1.751 -14.558  -1.733
  206    HH   TYR  25           HH       TYR  25  -0.794 -14.674  -3.076
  207    H    VAL  26           H        VAL  26   2.157  -8.571   2.637
  208    HA   VAL  26           HA       VAL  26   5.018  -8.557   3.023
  209    HB   VAL  26           HB       VAL  26   5.363  -6.180   2.958
  210   1HG1  VAL  26          1HG1      VAL  26   3.874  -6.996   0.470
  211   2HG1  VAL  26          2HG1      VAL  26   5.547  -7.416   0.836
  212   3HG1  VAL  26          3HG1      VAL  26   5.090  -5.729   0.605
  213   1HG2  VAL  26          1HG2      VAL  26   2.466  -5.884   2.164
  214   2HG2  VAL  26          2HG2      VAL  26   3.643  -4.587   2.372
  215   3HG2  VAL  26          3HG2      VAL  26   3.114  -5.529   3.766
  216    H    LYS  27           H        LYS  27   5.653  -7.620   5.090
  217    HA   LYS  27           HA       LYS  27   3.422  -7.270   6.976
  218   1HB   LYS  27          2HB       LYS  27   5.576  -9.297   7.020
  219   2HB   LYS  27          1HB       LYS  27   5.241  -8.508   8.554
  220   1HG   LYS  27          2HG       LYS  27   3.059  -9.730   6.899
  221   2HG   LYS  27          1HG       LYS  27   4.011 -10.678   8.044
  222   1HD   LYS  27          2HD       LYS  27   2.660  -9.994   9.672
  223   2HD   LYS  27          1HD       LYS  27   3.221  -8.343   9.402
  224   1HE   LYS  27          2HE       LYS  27   1.484  -8.175   7.583
  225   2HE   LYS  27          1HE       LYS  27   0.845  -9.713   8.160
  226   1HZ   LYS  27          1HZ       LYS  27   0.746  -7.074   9.408
  227   2HZ   LYS  27          2HZ       LYS  27   0.884  -8.412  10.434
  228   3HZ   LYS  27          3HZ       LYS  27  -0.424  -8.296   9.368
  229    H    GLU  28           H        GLU  28   3.994  -6.157   8.961
  230    HA   GLU  28           HA       GLU  28   5.435  -3.813   8.566
  231   1HB   GLU  28          2HB       GLU  28   5.092  -5.016  11.299
  232   2HB   GLU  28          1HB       GLU  28   5.051  -3.322  10.832
  233   1HG   GLU  28          2HG       GLU  28   2.838  -3.569  11.020
  234   2HG   GLU  28          1HG       GLU  28   2.964  -4.279   9.411
  235    H    GLY  29           H        GLY  29   7.530  -3.214   8.838
  236   1HA   GLY  29          2HA       GLY  29   9.770  -3.362   9.378
  237   2HA   GLY  29          1HA       GLY  29   9.387  -4.740  10.399
  238    H    ASP  30           H        ASP  30   8.095  -5.325   7.398
  239    HA   ASP  30           HA       ASP  30  10.301  -7.115   6.735
  240   1HB   ASP  30          2HB       ASP  30   7.925  -7.948   6.932
  241   2HB   ASP  30          1HB       ASP  30   7.553  -7.020   5.482
  242    H    THR  31           H        THR  31  11.056  -7.333   4.569
  243    HA   THR  31           HA       THR  31  11.066  -4.775   3.143
  244    HB   THR  31           HB       THR  31  12.861  -7.150   2.636
  245    HG1  THR  31           1HG      THR  31  14.115  -6.466   4.220
  246   1HG2  THR  31          1HG2      THR  31  12.562  -5.329   0.883
  247   2HG2  THR  31          2HG2      THR  31  14.215  -5.656   1.404
  248   3HG2  THR  31          3HG2      THR  31  13.356  -4.246   2.025
  249    H    VAL  32           H        VAL  32  10.642  -4.637   0.948
  250    HA   VAL  32           HA       VAL  32   8.991  -6.806  -0.116
  251    HB   VAL  32           HB       VAL  32   8.738  -4.655  -1.871
  252   1HG1  VAL  32          1HG1      VAL  32   6.592  -5.119  -1.558
  253   2HG1  VAL  32          2HG1      VAL  32   6.679  -4.729   0.159
  254   3HG1  VAL  32          3HG1      VAL  32   7.130  -6.337  -0.402
  255   1HG2  VAL  32          1HG2      VAL  32   9.761  -3.092  -0.350
  256   2HG2  VAL  32          2HG2      VAL  32   8.720  -3.635   0.968
  257   3HG2  VAL  32          3HG2      VAL  32   8.026  -2.784  -0.410
  258    H    SER  33           H        SER  33   9.112  -7.243  -2.435
  259    HA   SER  33           HA       SER  33  11.727  -6.667  -3.629
  260   1HB   SER  33          2HB       SER  33  10.649  -9.315  -2.868
  261   2HB   SER  33          1HB       SER  33  11.362  -9.217  -4.478
  262    HG   SER  33           HG       SER  33  12.557  -8.937  -1.974
  263    H    GLN  34           H        GLN  34  11.777  -7.130  -5.976
  264    HA   GLN  34           HA       GLN  34   9.763  -5.864  -7.358
  265   1HB   GLN  34          2HB       GLN  34  11.829  -7.860  -8.242
  266   2HB   GLN  34          1HB       GLN  34  10.693  -7.159  -9.386
  267   1HG   GLN  34          2HG       GLN  34  11.861  -5.282  -9.519
  268   2HG   GLN  34          1HG       GLN  34  11.936  -5.123  -7.765
  269   1HE2  GLN  34          1HE2      GLN  34  13.183  -7.750  -9.751
  270   2HE2  GLN  34          2HE2      GLN  34  14.846  -7.512  -9.344
  271    H    PHE  35           H        PHE  35   9.928  -9.194  -6.358
  272    HA   PHE  35           HA       PHE  35   7.578  -9.870  -7.966
  273   1HB   PHE  35          2HB       PHE  35   8.020 -12.198  -7.185
  274   2HB   PHE  35          1HB       PHE  35   9.362 -11.486  -8.077
  275    HD1  PHE  35           1HD      PHE  35   8.139 -11.958  -4.589
  276    HD2  PHE  35           2HD      PHE  35  11.486 -11.610  -7.195
  277    HE1  PHE  35           1HE      PHE  35   9.647 -12.466  -2.713
  278    HE2  PHE  35           2HE      PHE  35  13.000 -12.118  -5.323
  279    HZ   PHE  35           HZ       PHE  35  12.081 -12.547  -3.078
  280    H    ASP  36           H        ASP  36   8.424  -8.965  -4.777
  281    HA   ASP  36           HA       ASP  36   6.016 -10.161  -3.638
  282   1HB   ASP  36          2HB       ASP  36   8.597  -9.482  -2.619
  283   2HB   ASP  36          1HB       ASP  36   7.385  -8.576  -1.718
  284    H    SER  37           H        SER  37   4.330  -8.944  -4.417
  285    HA   SER  37           HA       SER  37   4.302  -6.123  -4.563
  286   1HB   SER  37          2HB       SER  37   1.646  -6.920  -4.228
  287   2HB   SER  37          1HB       SER  37   2.489  -6.709  -5.761
  288    HG   SER  37           HG       SER  37   2.923  -8.864  -5.825
  289    H    ILE  38           H        ILE  38   2.951  -4.662  -3.224
  290    HA   ILE  38           HA       ILE  38   3.327  -5.344  -0.417
  291    HB   ILE  38           HB       ILE  38   2.559  -2.698  -1.654
  292   1HG1  ILE  38          2HG1      ILE  38   5.161  -3.897  -0.734
  293   2HG1  ILE  38          1HG1      ILE  38   4.791  -3.148  -2.280
  294   1HG2  ILE  38          1HG2      ILE  38   2.197  -3.560   0.974
  295   2HG2  ILE  38          2HG2      ILE  38   2.168  -1.897   0.392
  296   3HG2  ILE  38          3HG2      ILE  38   3.666  -2.588   1.014
  297   1HD1  ILE  38          1HD1      ILE  38   6.220  -1.691  -1.048
  298   2HD1  ILE  38          2HD1      ILE  38   5.172  -1.774   0.368
  299   3HD1  ILE  38          3HD1      ILE  38   4.612  -0.964  -1.096
  300    H    CYS  39           H        CYS  39   0.746  -3.297  -1.725
  301    HA   CYS  39           HA       CYS  39  -1.175  -5.004  -0.288
  302   1HB   CYS  39          2HB       CYS  39  -0.936  -2.825   0.770
  303   2HB   CYS  39          1HB       CYS  39  -1.254  -2.020  -0.761
  304    HG   CYS  39           HG       CYS  39  -3.461  -3.723   1.205
  305    H    GLU  40           H        GLU  40  -3.105  -5.514  -1.226
  306    HA   GLU  40           HA       GLU  40  -3.619  -4.548  -3.948
  307   1HB   GLU  40          2HB       GLU  40  -3.855  -7.450  -3.138
  308   2HB   GLU  40          1HB       GLU  40  -4.127  -6.775  -4.738
  309   1HG   GLU  40          2HG       GLU  40  -1.673  -6.028  -4.611
  310   2HG   GLU  40          1HG       GLU  40  -1.547  -7.180  -3.281
  311    H    VAL  41           H        VAL  41  -5.645  -3.828  -4.126
  312    HA   VAL  41           HA       VAL  41  -7.649  -4.843  -2.215
  313    HB   VAL  41           HB       VAL  41  -8.733  -2.672  -2.257
  314   1HG1  VAL  41          1HG1      VAL  41  -5.820  -2.758  -1.566
  315   2HG1  VAL  41          2HG1      VAL  41  -7.222  -2.795  -0.496
  316   3HG1  VAL  41          3HG1      VAL  41  -6.769  -1.294  -1.305
  317   1HG2  VAL  41          1HG2      VAL  41  -8.077  -2.089  -4.584
  318   2HG2  VAL  41          2HG2      VAL  41  -6.456  -1.722  -3.991
  319   3HG2  VAL  41          3HG2      VAL  41  -7.836  -0.777  -3.430
  320    H    GLN  42           H        GLN  42  -9.766  -5.140  -2.944
  321    HA   GLN  42           HA       GLN  42 -10.188  -4.940  -5.845
  322   1HB   GLN  42          2HB       GLN  42 -10.800  -7.343  -4.116
  323   2HB   GLN  42          1HB       GLN  42 -11.345  -7.148  -5.777
  324   1HG   GLN  42          2HG       GLN  42  -8.778  -6.794  -6.225
  325   2HG   GLN  42          1HG       GLN  42  -8.625  -7.703  -4.722
  326   1HE2  GLN  42          1HE2      GLN  42  -7.589  -8.754  -6.971
  327   2HE2  GLN  42          2HE2      GLN  42  -8.532 -10.099  -7.506
  328    H    SER  43           H        SER  43 -11.908  -3.743  -6.240
  329    HA   SER  43           HA       SER  43 -14.041  -3.615  -4.219
  330   1HB   SER  43          2HB       SER  43 -12.651  -1.532  -5.195
  331   2HB   SER  43          1HB       SER  43 -13.938  -1.601  -6.399
  332    HG   SER  43           HG       SER  43 -14.447  -0.262  -4.586
  333    H    ASP  44           H        ASP  44 -16.235  -3.533  -4.928
  334    HA   ASP  44           HA       ASP  44 -16.945  -5.495  -6.763
  335   1HB   ASP  44          2HB       ASP  44 -19.234  -4.616  -6.571
  336   2HB   ASP  44          1HB       ASP  44 -18.451  -4.719  -4.997
  337    H    LYS  45           H        LYS  45 -16.042  -2.222  -7.315
  338    HA   LYS  45           HA       LYS  45 -17.214  -2.242  -9.996
  339   1HB   LYS  45          2HB       LYS  45 -16.469   0.152 -10.064
  340   2HB   LYS  45          1HB       LYS  45 -17.659  -0.217  -8.824
  341   1HG   LYS  45          2HG       LYS  45 -16.327   0.705  -7.322
  342   2HG   LYS  45          1HG       LYS  45 -15.132  -0.554  -7.633
  343   1HD   LYS  45          2HD       LYS  45 -13.853   0.793  -8.937
  344   2HD   LYS  45          1HD       LYS  45 -15.242   1.677  -9.570
  345   1HE   LYS  45          2HE       LYS  45 -15.366   2.515  -7.054
  346   2HE   LYS  45          1HE       LYS  45 -13.644   2.143  -7.110
  347   1HZ   LYS  45          1HZ       LYS  45 -13.253   3.760  -8.666
  348   2HZ   LYS  45          2HZ       LYS  45 -14.494   4.487  -7.776
  349   3HZ   LYS  45          3HZ       LYS  45 -14.837   3.752  -9.260
  350    H    ALA  46           H        ALA  46 -14.070  -1.983  -8.374
  351    HA   ALA  46           HA       ALA  46 -12.798  -2.933 -10.811
  352   1HB   ALA  46          1HB       ALA  46 -11.227  -0.750  -9.758
  353   2HB   ALA  46          2HB       ALA  46 -12.826  -0.207 -10.266
  354   3HB   ALA  46          3HB       ALA  46 -11.777  -1.050 -11.406
  355    H    SER  47           H        SER  47 -10.505  -3.489 -10.474
  356    HA   SER  47           HA       SER  47  -9.925  -4.155  -7.663
  357   1HB   SER  47          2HB       SER  47 -10.248  -5.923  -9.925
  358   2HB   SER  47          1HB       SER  47  -8.613  -6.055  -9.277
  359    HG   SER  47           HG       SER  47 -10.166  -7.459  -8.259
  360    H    VAL  48           H        VAL  48  -8.164  -3.131  -6.984
  361    HA   VAL  48           HA       VAL  48  -6.125  -2.376  -8.965
  362    HB   VAL  48           HB       VAL  48  -6.317  -1.213  -6.202
  363   1HG1  VAL  48          1HG1      VAL  48  -4.281  -0.890  -7.630
  364   2HG1  VAL  48          2HG1      VAL  48  -5.078   0.598  -7.122
  365   3HG1  VAL  48          3HG1      VAL  48  -5.299  -0.004  -8.765
  366   1HG2  VAL  48          1HG2      VAL  48  -7.656  -0.027  -8.623
  367   2HG2  VAL  48          2HG2      VAL  48  -7.765   0.507  -6.946
  368   3HG2  VAL  48          3HG2      VAL  48  -8.512  -1.013  -7.438
  369    H    THR  49           H        THR  49  -3.950  -2.694  -8.561
  370    HA   THR  49           HA       THR  49  -3.197  -4.289  -6.221
  371    HB   THR  49           HB       THR  49  -1.875  -5.832  -7.590
  372    HG1  THR  49           1HG      THR  49  -3.169  -4.800  -9.891
  373   1HG2  THR  49          1HG2      THR  49  -3.612  -7.236  -7.897
  374   2HG2  THR  49          2HG2      THR  49  -4.464  -6.108  -8.953
  375   3HG2  THR  49          3HG2      THR  49  -4.569  -5.928  -7.201
  376    H    ILE  50           H        ILE  50  -1.393  -3.515  -5.307
  377    HA   ILE  50           HA       ILE  50   0.177  -1.565  -6.828
  378    HB   ILE  50           HB       ILE  50   0.144  -2.079  -3.854
  379   1HG1  ILE  50          2HG1      ILE  50  -1.969  -1.152  -4.520
  380   2HG1  ILE  50          1HG1      ILE  50  -1.023   0.148  -3.802
  381   1HG2  ILE  50          1HG2      ILE  50   1.138   0.494  -4.626
  382   2HG2  ILE  50          2HG2      ILE  50   2.053  -0.771  -5.448
  383   3HG2  ILE  50          3HG2      ILE  50   1.932  -0.772  -3.688
  384   1HD1  ILE  50          1HD1      ILE  50  -1.897  -0.244  -6.601
  385   2HD1  ILE  50          2HD1      ILE  50  -0.343   0.543  -6.327
  386   3HD1  ILE  50          3HD1      ILE  50  -1.812   1.226  -5.631
  387    H    THR  51           H        THR  51   1.808  -2.470  -7.881
  388    HA   THR  51           HA       THR  51   3.214  -4.778  -6.885
  389    HB   THR  51           HB       THR  51   4.732  -4.280  -8.902
  390    HG1  THR  51           1HG      THR  51   4.220  -2.161  -9.336
  391   1HG2  THR  51          1HG2      THR  51   3.136  -5.236 -10.467
  392   2HG2  THR  51          2HG2      THR  51   1.797  -4.784  -9.413
  393   3HG2  THR  51          3HG2      THR  51   2.961  -6.000  -8.887
  394    H    SER  52           H        SER  52   5.785  -4.521  -7.247
  395    HA   SER  52           HA       SER  52   6.556  -2.324  -5.453
  396   1HB   SER  52          2HB       SER  52   8.313  -4.698  -5.955
  397   2HB   SER  52          1HB       SER  52   8.183  -3.688  -4.515
  398    HG   SER  52           HG       SER  52   6.823  -5.095  -3.784
  399    H    ARG  53           H        ARG  53   8.041  -4.273  -8.051
  400    HA   ARG  53           HA       ARG  53   9.307  -3.688  -9.844
  401   1HB   ARG  53          2HB       ARG  53   8.906  -1.714 -10.897
  402   2HB   ARG  53          1HB       ARG  53   7.592  -1.635  -9.739
  403   1HG   ARG  53          2HG       ARG  53   8.369   0.401  -9.273
  404   2HG   ARG  53          1HG       ARG  53   9.642  -0.423  -8.374
  405   1HD   ARG  53          2HD       ARG  53  10.711  -0.526 -10.823
  406   2HD   ARG  53          1HD       ARG  53   9.738   0.933 -11.003
  407    HE   ARG  53           HE       ARG  53  11.119   1.213  -8.628
  408   1HH1  ARG  53          1HH1      ARG  53  11.892   0.827 -12.002
  409   2HH1  ARG  53          2HH1      ARG  53  13.378   1.710 -11.896
  410   1HH2  ARG  53          1HH2      ARG  53  13.076   2.377  -8.479
  411   2HH2  ARG  53          2HH2      ARG  53  14.052   2.589  -9.894
  412    H    TYR  54           H        TYR  54  10.063  -3.299  -6.752
  413    HA   TYR  54           HA       TYR  54  12.835  -3.266  -7.130
  414   1HB   TYR  54          2HB       TYR  54  12.121  -0.777  -7.481
  415   2HB   TYR  54          1HB       TYR  54  11.934  -0.765  -5.730
  416    HD1  TYR  54           1HD      TYR  54  13.684   0.593  -4.986
  417    HD2  TYR  54           2HD      TYR  54  14.504  -2.503  -7.785
  418    HE1  TYR  54           1HE      TYR  54  16.094   1.006  -4.727
  419    HE2  TYR  54           2HE      TYR  54  16.917  -2.100  -7.534
  420    HH   TYR  54           HH       TYR  54  18.295  -0.631  -5.122
  421    H    ASP  55           H        ASP  55  13.952  -2.989  -4.887
  422    HA   ASP  55           HA       ASP  55  12.253  -4.413  -2.976
  423   1HB   ASP  55          2HB       ASP  55  14.606  -4.659  -1.798
  424   2HB   ASP  55          1HB       ASP  55  14.147  -5.699  -3.142
  425    H    GLY  56           H        GLY  56  11.505  -3.475  -1.206
  426   1HA   GLY  56          2HA       GLY  56  12.872  -1.060  -0.219
  427   2HA   GLY  56          1HA       GLY  56  11.140  -1.036  -0.505
  428    H    VAL  57           H        VAL  57  12.152  -0.381   1.951
  429    HA   VAL  57           HA       VAL  57  11.758  -2.765   3.616
  430    HB   VAL  57           HB       VAL  57  12.871  -0.043   4.308
  431   1HG1  VAL  57          1HG1      VAL  57  11.802  -0.682   6.291
  432   2HG1  VAL  57          2HG1      VAL  57  13.465  -1.237   6.504
  433   3HG1  VAL  57          3HG1      VAL  57  12.202  -2.386   6.063
  434   1HG2  VAL  57          1HG2      VAL  57  14.970  -1.039   4.390
  435   2HG2  VAL  57          2HG2      VAL  57  14.224  -1.789   2.980
  436   3HG2  VAL  57          3HG2      VAL  57  14.302  -2.667   4.508
  437    H    ILE  58           H        ILE  58   9.826  -3.125   4.432
  438    HA   ILE  58           HA       ILE  58   7.943  -0.895   4.760
  439    HB   ILE  58           HB       ILE  58   7.239  -3.798   5.104
  440   1HG1  ILE  58          2HG1      ILE  58   7.463  -2.228   2.534
  441   2HG1  ILE  58          1HG1      ILE  58   8.283  -3.730   2.945
  442   1HG2  ILE  58          1HG2      ILE  58   5.536  -2.339   5.844
  443   2HG2  ILE  58          2HG2      ILE  58   5.031  -2.895   4.247
  444   3HG2  ILE  58          3HG2      ILE  58   5.725  -1.285   4.442
  445   1HD1  ILE  58          1HD1      ILE  58   6.613  -4.931   2.144
  446   2HD1  ILE  58          2HD1      ILE  58   5.907  -3.434   1.536
  447   3HD1  ILE  58          3HD1      ILE  58   5.433  -4.053   3.118
  448    H    LYS  59           H        LYS  59   7.665  -0.073   6.719
  449    HA   LYS  59           HA       LYS  59   8.720  -1.573   8.998
  450   1HB   LYS  59          2HB       LYS  59   9.720   0.521   8.888
  451   2HB   LYS  59          1HB       LYS  59   8.224   1.330   8.464
  452   1HG   LYS  59          2HG       LYS  59   7.416   1.154  10.710
  453   2HG   LYS  59          1HG       LYS  59   8.769   0.118  11.166
  454   1HD   LYS  59          2HD       LYS  59   9.447   2.177  11.973
  455   2HD   LYS  59          1HD       LYS  59  10.225   2.130  10.390
  456   1HE   LYS  59          2HE       LYS  59   7.793   3.218   9.794
  457   2HE   LYS  59          1HE       LYS  59   8.098   3.876  11.401
  458   1HZ   LYS  59          1HZ       LYS  59   9.928   4.074   9.068
  459   2HZ   LYS  59          2HZ       LYS  59  10.238   4.694  10.610
  460   3HZ   LYS  59          3HZ       LYS  59   8.971   5.325   9.685
  461    H    LYS  60           H        LYS  60   5.711   0.151   8.087
  462    HA   LYS  60           HA       LYS  60   4.400  -1.476  10.137
  463   1HB   LYS  60          2HB       LYS  60   3.383   0.265  11.251
  464   2HB   LYS  60          1HB       LYS  60   4.956   0.951  10.883
  465   1HG   LYS  60          2HG       LYS  60   2.520   1.430   9.184
  466   2HG   LYS  60          1HG       LYS  60   2.980   2.462  10.537
  467   1HD   LYS  60          2HD       LYS  60   4.800   1.843   8.219
  468   2HD   LYS  60          1HD       LYS  60   3.739   3.248   8.286
  469   1HE   LYS  60          2HE       LYS  60   5.855   2.602  10.333
  470   2HE   LYS  60          1HE       LYS  60   6.069   3.730   8.995
  471   1HZ   LYS  60          1HZ       LYS  60   4.048   3.986  11.157
  472   2HZ   LYS  60          2HZ       LYS  60   4.271   5.073   9.881
  473   3HZ   LYS  60          3HZ       LYS  60   5.484   4.874  11.042
  474    H    LEU  61           H        LEU  61   2.416  -2.196   9.708
  475    HA   LEU  61           HA       LEU  61   1.004  -1.210   7.339
  476   1HB   LEU  61          2HB       LEU  61   1.712  -4.085   7.923
  477   2HB   LEU  61          1HB       LEU  61   0.465  -3.618   6.780
  478    HG   LEU  61           HG       LEU  61   2.879  -2.205   6.158
  479   1HD1  LEU  61          1HD1      LEU  61   3.908  -4.579   5.402
  480   2HD1  LEU  61          2HD1      LEU  61   3.213  -5.011   6.964
  481   3HD1  LEU  61          3HD1      LEU  61   4.396  -3.707   6.855
  482   1HD2  LEU  61          1HD2      LEU  61   0.983  -2.722   4.651
  483   2HD2  LEU  61          2HD2      LEU  61   1.469  -4.417   4.678
  484   3HD2  LEU  61          3HD2      LEU  61   2.549  -3.201   3.996
  485    H    TYR  62           H        TYR  62  -0.634  -0.301   8.465
  486    HA   TYR  62           HA       TYR  62  -1.834  -1.533  10.747
  487   1HB   TYR  62          2HB       TYR  62  -1.682   1.021   9.795
  488   2HB   TYR  62          1HB       TYR  62  -3.344   0.598   9.400
  489    HD1  TYR  62           1HD      TYR  62  -4.828  -0.273  11.296
  490    HD2  TYR  62           2HD      TYR  62  -1.091   1.647  11.964
  491    HE1  TYR  62           1HE      TYR  62  -5.492   0.201  13.617
  492    HE2  TYR  62           2HE      TYR  62  -1.743   2.125  14.285
  493    HH   TYR  62           HH       TYR  62  -3.878   0.684  15.931
  494    H    TYR  63           H        TYR  63  -2.906  -1.006   7.394
  495    HA   TYR  63           HA       TYR  63  -5.396  -2.373   7.889
  496   1HB   TYR  63          2HB       TYR  63  -4.249  -1.448   5.253
  497   2HB   TYR  63          1HB       TYR  63  -5.921  -1.892   5.576
  498    HD1  TYR  63           1HD      TYR  63  -5.852  -0.431   8.383
  499    HD2  TYR  63           2HD      TYR  63  -4.905   0.736   4.402
  500    HE1  TYR  63           1HE      TYR  63  -6.359   1.907   8.952
  501    HE2  TYR  63           2HE      TYR  63  -5.408   3.076   4.962
  502    HH   TYR  63           HH       TYR  63  -5.428   4.489   7.120
  503    H    ASN  64           H        ASN  64  -5.973  -4.372   7.347
  504    HA   ASN  64           HA       ASN  64  -3.983  -6.106   6.048
  505   1HB   ASN  64          2HB       ASN  64  -5.927  -6.823   8.253
  506   2HB   ASN  64          1HB       ASN  64  -4.866  -7.964   7.424
  507   1HD2  ASN  64          1HD2      ASN  64  -2.496  -7.197   7.429
  508   2HD2  ASN  64          2HD2      ASN  64  -1.895  -6.666   8.959
  509    H    LEU  65           H        LEU  65  -5.374  -8.325   5.661
  510    HA   LEU  65           HA       LEU  65  -6.854  -7.912   3.381
  511   1HB   LEU  65          2HB       LEU  65  -6.657 -10.182   5.325
  512   2HB   LEU  65          1HB       LEU  65  -7.696 -10.285   3.926
  513    HG   LEU  65           HG       LEU  65  -5.123  -9.417   3.061
  514   1HD1  LEU  65          1HD1      LEU  65  -4.917 -12.077   4.402
  515   2HD1  LEU  65          2HD1      LEU  65  -4.571 -10.602   5.304
  516   3HD1  LEU  65          3HD1      LEU  65  -3.639 -10.990   3.859
  517   1HD2  LEU  65          1HD2      LEU  65  -5.401 -11.052   1.482
  518   2HD2  LEU  65          2HD2      LEU  65  -7.073 -10.820   1.992
  519   3HD2  LEU  65          3HD2      LEU  65  -6.141 -12.179   2.619
  520    H    ASP  66           H        ASP  66  -7.880  -7.578   6.659
  521    HA   ASP  66           HA       ASP  66 -10.699  -7.731   5.846
  522   1HB   ASP  66          2HB       ASP  66  -9.617  -9.016   7.884
  523   2HB   ASP  66          1HB       ASP  66  -9.892  -7.483   8.707
  524    H    ASP  67           H        ASP  67  -8.280  -5.519   7.041
  525    HA   ASP  67           HA       ASP  67 -10.182  -3.537   7.878
  526   1HB   ASP  67          2HB       ASP  67  -7.281  -2.984   7.321
  527   2HB   ASP  67          1HB       ASP  67  -8.351  -2.194   8.471
  528    H    ILE  68           H        ILE  68 -10.565  -1.530   6.981
  529    HA   ILE  68           HA       ILE  68 -10.308  -1.412   4.053
  530    HB   ILE  68           HB       ILE  68 -12.070   0.325   5.749
  531   1HG1  ILE  68          2HG1      ILE  68 -12.306  -2.478   5.446
  532   2HG1  ILE  68          1HG1      ILE  68 -13.471  -1.374   6.156
  533   1HG2  ILE  68          1HG2      ILE  68 -11.390   0.833   3.301
  534   2HG2  ILE  68          2HG2      ILE  68 -13.080   0.976   3.774
  535   3HG2  ILE  68          3HG2      ILE  68 -12.533  -0.440   2.893
  536   1HD1  ILE  68          1HD1      ILE  68 -13.399  -1.887   3.206
  537   2HD1  ILE  68          2HD1      ILE  68 -14.720  -1.254   4.189
  538   3HD1  ILE  68          3HD1      ILE  68 -14.263  -2.953   4.316
  539    H    ALA  69           H        ALA  69  -9.488   0.302   3.030
  540    HA   ALA  69           HA       ALA  69  -7.997   2.189   4.711
  541   1HB   ALA  69          1HB       ALA  69  -7.467   1.679   1.807
  542   2HB   ALA  69          2HB       ALA  69  -6.800   0.649   3.068
  543   3HB   ALA  69          3HB       ALA  69  -6.390   2.362   3.021
  544    H    TYR  70           H        TYR  70  -8.106   4.370   4.351
  545    HA   TYR  70           HA       TYR  70 -10.499   5.291   2.951
  546   1HB   TYR  70          2HB       TYR  70  -8.728   6.521   5.057
  547   2HB   TYR  70          1HB       TYR  70  -9.952   7.455   4.206
  548    HD1  TYR  70           1HD      TYR  70 -10.019   3.983   5.607
  549    HD2  TYR  70           2HD      TYR  70 -11.656   7.910   5.697
  550    HE1  TYR  70           1HE      TYR  70 -11.709   3.237   7.229
  551    HE2  TYR  70           2HE      TYR  70 -13.349   7.173   7.320
  552    HH   TYR  70           HH       TYR  70 -13.802   3.829   8.115
  553    H    VAL  71           H        VAL  71 -10.485   6.677   1.278
  554    HA   VAL  71           HA       VAL  71  -8.305   6.864  -0.426
  555    HB   VAL  71           HB       VAL  71 -10.488   8.930  -0.367
  556   1HG1  VAL  71          1HG1      VAL  71 -10.201   8.831  -2.815
  557   2HG1  VAL  71          2HG1      VAL  71  -8.887   7.675  -2.593
  558   3HG1  VAL  71          3HG1      VAL  71  -8.728   9.320  -1.976
  559   1HG2  VAL  71          1HG2      VAL  71 -10.682   6.033  -0.862
  560   2HG2  VAL  71          2HG2      VAL  71 -11.451   7.069  -2.066
  561   3HG2  VAL  71          3HG2      VAL  71 -11.920   7.189  -0.370
  562    H    GLY  72           H        GLY  72  -6.714   8.318  -0.802
  563   1HA   GLY  72          2HA       GLY  72  -5.295  10.089  -0.492
  564   2HA   GLY  72          1HA       GLY  72  -6.644  10.948   0.227
  565    H    LYS  73           H        LYS  73  -6.008   8.015   1.827
  566    HA   LYS  73           HA       LYS  73  -4.519   9.501   3.888
  567   1HB   LYS  73          2HB       LYS  73  -6.901   7.887   4.029
  568   2HB   LYS  73          1HB       LYS  73  -5.653   7.221   5.072
  569   1HG   LYS  73          2HG       LYS  73  -5.468   9.820   5.731
  570   2HG   LYS  73          1HG       LYS  73  -7.177   9.727   5.300
  571   1HD   LYS  73          2HD       LYS  73  -7.475   9.010   7.402
  572   2HD   LYS  73          1HD       LYS  73  -6.838   7.474   6.813
  573   1HE   LYS  73          2HE       LYS  73  -5.642   8.049   8.797
  574   2HE   LYS  73          1HE       LYS  73  -4.554   8.274   7.428
  575   1HZ   LYS  73          1HZ       LYS  73  -4.882  10.618   7.525
  576   2HZ   LYS  73          2HZ       LYS  73  -4.495  10.096   9.086
  577   3HZ   LYS  73          3HZ       LYS  73  -6.096  10.471   8.693
  578    HA   PRO  74           HA       PRO  74  -1.250   6.528   3.097
  579   1HB   PRO  74          2HB       PRO  74  -0.036   7.484   5.580
  580   2HB   PRO  74          1HB       PRO  74   0.560   7.620   3.925
  581   1HG   PRO  74          2HG       PRO  74  -0.328   9.751   5.331
  582   2HG   PRO  74          1HG       PRO  74  -0.489   9.630   3.570
  583   1HD   PRO  74          2HD       PRO  74  -2.541   9.170   5.700
  584   2HD   PRO  74          1HD       PRO  74  -2.707   9.961   4.119
  585    H    LEU  75           H        LEU  75  -0.940   4.453   3.753
  586    HA   LEU  75           HA       LEU  75  -1.948   3.748   6.425
  587   1HB   LEU  75          2HB       LEU  75  -2.940   1.778   5.610
  588   2HB   LEU  75          1HB       LEU  75  -3.443   3.065   4.534
  589    HG   LEU  75           HG       LEU  75  -1.267   2.154   3.206
  590   1HD1  LEU  75          1HD1      LEU  75  -1.473  -0.341   3.228
  591   2HD1  LEU  75          2HD1      LEU  75  -2.446  -0.184   4.692
  592   3HD1  LEU  75          3HD1      LEU  75  -0.767   0.357   4.686
  593   1HD2  LEU  75          1HD2      LEU  75  -3.764   0.633   2.745
  594   2HD2  LEU  75          2HD2      LEU  75  -2.765   1.546   1.615
  595   3HD2  LEU  75          3HD2      LEU  75  -3.881   2.393   2.686
  596    H    VAL  76           H        VAL  76   0.558   3.261   4.026
  597    HA   VAL  76           HA       VAL  76   2.059   1.770   6.070
  598    HB   VAL  76           HB       VAL  76   1.163   0.081   4.539
  599   1HG1  VAL  76          1HG1      VAL  76   1.816   2.039   2.582
  600   2HG1  VAL  76          2HG1      VAL  76   0.944   0.519   2.374
  601   3HG1  VAL  76          3HG1      VAL  76   2.702   0.558   2.214
  602   1HG2  VAL  76          1HG2      VAL  76   3.068  -1.126   4.568
  603   2HG2  VAL  76          2HG2      VAL  76   3.711   0.271   5.433
  604   3HG2  VAL  76          3HG2      VAL  76   3.984   0.105   3.700
  605    H    ASP  77           H        ASP  77   4.240   2.090   6.109
  606    HA   ASP  77           HA       ASP  77   5.287   4.162   4.297
  607   1HB   ASP  77          2HB       ASP  77   6.440   3.375   6.977
  608   2HB   ASP  77          1HB       ASP  77   6.835   4.793   6.014
  609    H    ILE  78           H        ILE  78   6.823   3.593   2.897
  610    HA   ILE  78           HA       ILE  78   8.443   1.214   3.475
  611    HB   ILE  78           HB       ILE  78   7.485   1.628   0.681
  612   1HG1  ILE  78          2HG1      ILE  78   5.677  -0.170   1.427
  613   2HG1  ILE  78          1HG1      ILE  78   5.846   0.648   2.979
  614   1HG2  ILE  78          1HG2      ILE  78   8.632  -0.561   2.321
  615   2HG2  ILE  78          2HG2      ILE  78   9.013  -0.056   0.675
  616   3HG2  ILE  78          3HG2      ILE  78   7.555  -0.995   0.993
  617   1HD1  ILE  78          1HD1      ILE  78   5.517   2.468   0.725
  618   2HD1  ILE  78          2HD1      ILE  78   4.710   2.429   2.294
  619   3HD1  ILE  78          3HD1      ILE  78   4.149   1.384   0.988
  620    H    GLU  79           H        GLU  79  10.478   1.146   2.506
  621    HA   GLU  79           HA       GLU  79  11.430   3.750   1.540
  622   1HB   GLU  79          2HB       GLU  79  12.647   1.484   3.018
  623   2HB   GLU  79          1HB       GLU  79  13.688   2.296   1.857
  624   1HG   GLU  79          2HG       GLU  79  12.428   4.330   3.297
  625   2HG   GLU  79          1HG       GLU  79  12.892   3.115   4.486
  626    H    THR  80           H        THR  80  11.503   3.950  -0.604
  627    HA   THR  80           HA       THR  80  12.574   1.738  -2.189
  628    HB   THR  80           HB       THR  80  10.782   2.336  -3.962
  629    HG1  THR  80           1HG      THR  80   9.274   3.660  -3.312
  630   1HG2  THR  80          1HG2      THR  80   9.288   0.945  -1.904
  631   2HG2  THR  80          2HG2      THR  80  10.952   0.370  -2.001
  632   3HG2  THR  80          3HG2      THR  80   9.925   0.340  -3.434
  633    H    GLU  81           H        GLU  81  13.353   2.381  -4.296
  634    HA   GLU  81           HA       GLU  81  14.840   4.740  -4.272
  635   1HB   GLU  81          2HB       GLU  81  15.300   2.728  -5.686
  636   2HB   GLU  81          1HB       GLU  81  13.959   3.200  -6.720
  637   1HG   GLU  81          2HG       GLU  81  15.431   4.338  -7.917
  638   2HG   GLU  81          1HG       GLU  81  15.515   5.478  -6.576
  639    H    ALA  82           H        ALA  82  14.617   6.711  -5.378
  640    HA   ALA  82           HA       ALA  82  12.285   8.072  -5.214
  641   1HB   ALA  82          1HB       ALA  82  13.211   9.748  -6.597
  642   2HB   ALA  82          2HB       ALA  82  14.216   8.584  -7.461
  643   3HB   ALA  82          3HB       ALA  82  14.571   8.979  -5.779
  644    H    LEU  83           H        LEU  83  10.345   7.559  -5.972
  645    HA   LEU  83           HA       LEU  83  10.116   6.783  -8.805
  646   1HB   LEU  83          2HB       LEU  83   8.983   5.553  -6.375
  647   2HB   LEU  83          1HB       LEU  83   7.861   5.742  -7.709
  648    HG   LEU  83           HG       LEU  83  10.084   4.646  -8.926
  649   1HD1  LEU  83          1HD1      LEU  83  10.024   2.554  -7.129
  650   2HD1  LEU  83          2HD1      LEU  83  10.123   3.982  -6.099
  651   3HD1  LEU  83          3HD1      LEU  83  11.342   3.707  -7.344
  652   1HD2  LEU  83          1HD2      LEU  83   8.323   3.528  -9.698
  653   2HD2  LEU  83          2HD2      LEU  83   7.372   3.904  -8.261
  654   3HD2  LEU  83          3HD2      LEU  83   8.440   2.500  -8.270
  655    H    LYS  84           H        LYS  84   8.703   7.904 -10.019
  656    HA   LYS  84           HA       LYS  84   7.742  10.381  -9.247
  657   1HB   LYS  84          2HB       LYS  84   6.384  10.332 -11.285
  658   2HB   LYS  84          1HB       LYS  84   8.004   9.717 -11.587
  659   1HG   LYS  84          2HG       LYS  84   6.743   8.177 -12.710
  660   2HG   LYS  84          1HG       LYS  84   6.879   7.397 -11.133
  661   1HD   LYS  84          2HD       LYS  84   4.650   7.271 -11.154
  662   2HD   LYS  84          1HD       LYS  84   4.654   9.012 -10.866
  663   1HE   LYS  84          2HE       LYS  84   4.521   9.448 -13.234
  664   2HE   LYS  84          1HE       LYS  84   4.675   7.729 -13.595
  665   1HZ   LYS  84          1HZ       LYS  84   2.342   9.079 -13.315
  666   2HZ   LYS  84          2HZ       LYS  84   2.504   8.322 -11.812
  667   3HZ   LYS  84          3HZ       LYS  84   2.515   7.398 -13.228
  668    H    ASP  85           H        ASP  85   6.395   7.256  -8.685
  669    HA   ASP  85           HA       ASP  85   3.708   7.617  -8.494
  670   1HB   ASP  85          2HB       ASP  85   5.542   5.733  -7.550
  671   2HB   ASP  85          1HB       ASP  85   4.648   6.244  -6.121
  672    H    LEU  86           H        LEU  86   6.056   8.451  -5.943
  673    HA   LEU  86           HA       LEU  86   3.966  10.144  -4.738
  674   1HB   LEU  86          2HB       LEU  86   4.974   8.071  -3.476
  675   2HB   LEU  86          1HB       LEU  86   6.305   9.168  -3.158
  676    HG   LEU  86           HG       LEU  86   4.630  10.766  -2.162
  677   1HD1  LEU  86          1HD1      LEU  86   2.843   8.414  -2.671
  678   2HD1  LEU  86          2HD1      LEU  86   2.566  10.119  -3.026
  679   3HD1  LEU  86          3HD1      LEU  86   2.517   9.547  -1.359
  680   1HD2  LEU  86          1HD2      LEU  86   5.957   9.592  -0.632
  681   2HD2  LEU  86          2HD2      LEU  86   5.163   8.057  -0.983
  682   3HD2  LEU  86          3HD2      LEU  86   4.305   9.309  -0.085
  683    H    GLU  87           H        GLU  87   7.261   9.949  -5.852
  684    HA   GLU  87           HA       GLU  87   7.487  12.854  -5.506
  685   1HB   GLU  87          2HB       GLU  87   9.746  10.922  -4.961
  686   2HB   GLU  87          1HB       GLU  87   9.794  12.671  -4.792
  687   1HG   GLU  87          2HG       GLU  87   7.688  11.378  -3.231
  688   2HG   GLU  87          1HG       GLU  87   9.324  10.906  -2.778
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1  18.533  -5.373  -2.447
    2   2H    MET   1          2HT       MET   1  17.284  -6.324  -3.075
    3   3H    MET   1          3HT       MET   1  17.659  -4.839  -3.794
    4    HA   MET   1           HA       MET   1  19.448  -5.621  -4.890
    5   1HB   MET   1          2HB       MET   1  19.742  -7.218  -2.398
    6   2HB   MET   1          1HB       MET   1  20.507  -7.854  -3.848
    7   1HG   MET   1          2HG       MET   1  21.006  -5.013  -3.379
    8   2HG   MET   1          1HG       MET   1  21.631  -6.079  -2.123
    9   1HE   MET   1          1HE       MET   1  22.808  -6.167  -6.570
   10   2HE   MET   1          2HE       MET   1  21.481  -5.252  -5.855
   11   3HE   MET   1          3HE       MET   1  21.341  -6.998  -6.051
   12    H    GLY   2           H        GLY   2  16.844  -6.206  -5.503
   13   1HA   GLY   2          2HA       GLY   2  16.152  -7.591  -7.344
   14   2HA   GLY   2          1HA       GLY   2  17.126  -8.892  -6.676
   15    H    GLN   3           H        GLN   3  15.245  -7.082  -4.443
   16    HA   GLN   3           HA       GLN   3  13.055  -9.025  -4.545
   17   1HB   GLN   3          2HB       GLN   3  14.138  -8.312  -1.861
   18   2HB   GLN   3          1HB       GLN   3  13.264  -9.747  -2.369
   19   1HG   GLN   3          2HG       GLN   3  15.161 -10.776  -3.193
   20   2HG   GLN   3          1HG       GLN   3  16.033  -9.256  -3.378
   21   1HE2  GLN   3          1HE2      GLN   3  15.076 -11.764  -1.187
   22   2HE2  GLN   3          2HE2      GLN   3  16.114 -11.305   0.116
   23    H    VAL   4           H        VAL   4  11.086  -8.243  -3.882
   24    HA   VAL   4           HA       VAL   4  10.992  -5.564  -2.714
   25    HB   VAL   4           HB       VAL   4   9.364  -4.734  -4.272
   26   1HG1  VAL   4          1HG1      VAL   4  10.965  -4.031  -5.628
   27   2HG1  VAL   4          2HG1      VAL   4  11.099  -5.623  -6.381
   28   3HG1  VAL   4          3HG1      VAL   4  12.025  -5.255  -4.926
   29   1HG2  VAL   4          1HG2      VAL   4   9.537  -7.451  -5.557
   30   2HG2  VAL   4          2HG2      VAL   4   8.803  -6.046  -6.333
   31   3HG2  VAL   4          3HG2      VAL   4   8.123  -6.681  -4.835
   32    H    VAL   5           H        VAL   5   9.168  -5.113  -1.515
   33    HA   VAL   5           HA       VAL   5   7.539  -7.441  -0.796
   34    HB   VAL   5           HB       VAL   5   6.796  -5.957   1.121
   35   1HG1  VAL   5          1HG1      VAL   5   8.462  -6.758   2.431
   36   2HG1  VAL   5          2HG1      VAL   5   9.736  -6.173   1.361
   37   3HG1  VAL   5          3HG1      VAL   5   8.856  -7.648   0.961
   38   1HG2  VAL   5          1HG2      VAL   5   7.817  -3.927   1.580
   39   2HG2  VAL   5          2HG2      VAL   5   7.628  -3.864  -0.171
   40   3HG2  VAL   5          3HG2      VAL   5   9.194  -4.266   0.532
   41    H    GLN   6           H        GLN   6   5.457  -7.552  -1.439
   42    HA   GLN   6           HA       GLN   6   4.387  -5.227  -2.837
   43   1HB   GLN   6          2HB       GLN   6   4.136  -8.114  -3.140
   44   2HB   GLN   6          1HB       GLN   6   2.595  -7.275  -3.250
   45   1HG   GLN   6          2HG       GLN   6   3.050  -6.655  -5.316
   46   2HG   GLN   6          1HG       GLN   6   4.511  -5.832  -4.770
   47   1HE2  GLN   6          1HE2      GLN   6   6.098  -7.854  -3.955
   48   2HE2  GLN   6          2HE2      GLN   6   6.481  -8.895  -5.281
   49    H    PHE   7           H        PHE   7   2.632  -4.143  -2.263
   50    HA   PHE   7           HA       PHE   7   1.368  -4.871   0.270
   51   1HB   PHE   7          2HB       PHE   7   2.190  -2.674   0.424
   52   2HB   PHE   7          1HB       PHE   7   1.707  -2.279  -1.221
   53    HD1  PHE   7           1HD      PHE   7   0.066  -0.706  -1.332
   54    HD2  PHE   7           2HD      PHE   7  -0.022  -3.534   1.843
   55    HE1  PHE   7           1HE      PHE   7  -2.014   0.300  -0.501
   56    HE2  PHE   7           2HE      PHE   7  -2.103  -2.532   2.684
   57    HZ   PHE   7           HZ       PHE   7  -3.104  -0.610   1.513
   58    H    LYS   8           H        LYS   8  -0.699  -5.425   0.392
   59    HA   LYS   8           HA       LYS   8  -2.394  -5.160  -2.000
   60   1HB   LYS   8          2HB       LYS   8  -3.355  -7.334  -1.561
   61   2HB   LYS   8          1HB       LYS   8  -1.609  -7.503  -1.663
   62   1HG   LYS   8          2HG       LYS   8  -2.734  -7.064   1.031
   63   2HG   LYS   8          1HG       LYS   8  -3.074  -8.617   0.266
   64   1HD   LYS   8          2HD       LYS   8  -0.299  -7.467   0.439
   65   2HD   LYS   8          1HD       LYS   8  -0.982  -8.494   1.701
   66   1HE   LYS   8          2HE       LYS   8  -0.644 -10.346   0.506
   67   2HE   LYS   8          1HE       LYS   8  -1.337  -9.625  -0.946
   68   1HZ   LYS   8          1HZ       LYS   8   0.939 -10.182  -1.351
   69   2HZ   LYS   8          2HZ       LYS   8   1.455  -9.334   0.018
   70   3HZ   LYS   8          3HZ       LYS   8   0.811  -8.495  -1.302
   71    H    LEU   9           H        LEU   9  -4.559  -4.685  -1.652
   72    HA   LEU   9           HA       LEU   9  -5.261  -3.042   0.429
   73   1HB   LEU   9          2HB       LEU   9  -6.520  -3.308  -1.673
   74   2HB   LEU   9          1HB       LEU   9  -7.093  -4.867  -1.128
   75    HG   LEU   9           HG       LEU   9  -8.770  -3.053  -0.934
   76   1HD1  LEU   9          1HD1      LEU   9  -9.720  -4.136   0.759
   77   2HD1  LEU   9          2HD1      LEU   9  -8.421  -3.709   1.874
   78   3HD1  LEU   9          3HD1      LEU   9  -8.246  -5.100   0.805
   79   1HD2  LEU   9          1HD2      LEU   9  -7.994  -1.818   1.451
   80   2HD2  LEU   9          2HD2      LEU   9  -8.229  -1.084  -0.141
   81   3HD2  LEU   9          3HD2      LEU   9  -6.632  -1.674   0.336
   82    H    SER  10           H        SER  10  -5.311  -3.421   2.532
   83    HA   SER  10           HA       SER  10  -6.501  -5.930   3.494
   84   1HB   SER  10          2HB       SER  10  -3.929  -4.652   4.438
   85   2HB   SER  10          1HB       SER  10  -4.787  -5.890   5.355
   86    HG   SER  10           HG       SER  10  -3.061  -6.619   3.886
   87    H    ASP  11           H        ASP  11  -8.409  -5.006   4.092
   88    HA   ASP  11           HA       ASP  11  -8.400  -3.473   6.528
   89   1HB   ASP  11          2HB       ASP  11  -9.585  -2.267   4.019
   90   2HB   ASP  11          1HB       ASP  11  -9.761  -1.613   5.644
   91    H    ILE  12           H        ILE  12 -10.295  -4.744   3.823
   92    HA   ILE  12           HA       ILE  12 -12.467  -5.358   5.712
   93    HB   ILE  12           HB       ILE  12 -13.761  -5.689   3.458
   94   1HG1  ILE  12          2HG1      ILE  12 -11.594  -5.252   2.151
   95   2HG1  ILE  12          1HG1      ILE  12 -13.046  -4.415   1.615
   96   1HG2  ILE  12          1HG2      ILE  12 -14.328  -3.219   3.525
   97   2HG2  ILE  12          2HG2      ILE  12 -13.106  -3.081   4.788
   98   3HG2  ILE  12          3HG2      ILE  12 -14.512  -4.118   5.030
   99   1HD1  ILE  12          1HD1      ILE  12 -10.535  -3.320   2.328
  100   2HD1  ILE  12          2HD1      ILE  12 -11.725  -2.759   3.504
  101   3HD1  ILE  12          3HD1      ILE  12 -11.988  -2.482   1.782
  102    H    GLY  13           H        GLY  13 -13.844  -7.287   4.814
  103   1HA   GLY  13          2HA       GLY  13 -12.118  -9.576   4.877
  104   2HA   GLY  13          1HA       GLY  13 -13.871  -9.595   4.764
  105    H    GLU  14           H        GLU  14 -12.339 -11.392   3.346
  106    HA   GLU  14           HA       GLU  14 -11.983 -10.431   0.645
  107   1HB   GLU  14          2HB       GLU  14 -11.804 -13.220   1.797
  108   2HB   GLU  14          1HB       GLU  14 -11.376 -12.782   0.149
  109   1HG   GLU  14          2HG       GLU  14  -9.310 -12.585   0.964
  110   2HG   GLU  14          1HG       GLU  14  -9.871 -11.027   1.568
  111    H    GLY  15           H        GLY  15 -14.237  -9.724   0.374
  112   1HA   GLY  15          2HA       GLY  15 -15.740 -11.106  -1.350
  113   2HA   GLY  15          1HA       GLY  15 -16.244 -11.823   0.173
  114    H    ILE  16           H        ILE  16 -15.857  -9.214   1.566
  115    HA   ILE  16           HA       ILE  16 -18.502  -8.177   1.036
  116    HB   ILE  16           HB       ILE  16 -18.217  -6.843   3.012
  117   1HG1  ILE  16          2HG1      ILE  16 -15.624  -7.627   3.925
  118   2HG1  ILE  16          1HG1      ILE  16 -15.460  -6.954   2.304
  119   1HG2  ILE  16          1HG2      ILE  16 -17.779  -9.680   2.969
  120   2HG2  ILE  16          2HG2      ILE  16 -18.702  -8.706   4.114
  121   3HG2  ILE  16          3HG2      ILE  16 -16.974  -8.957   4.361
  122   1HD1  ILE  16          1HD1      ILE  16 -17.198  -5.265   3.758
  123   2HD1  ILE  16          2HD1      ILE  16 -15.578  -4.925   3.150
  124   3HD1  ILE  16          3HD1      ILE  16 -15.789  -5.595   4.767
  125    H    ARG  17           H        ARG  17 -18.318  -5.521   1.606
  126    HA   ARG  17           HA       ARG  17 -17.730  -4.346  -0.837
  127   1HB   ARG  17          2HB       ARG  17 -19.185  -3.356   0.920
  128   2HB   ARG  17          1HB       ARG  17 -17.748  -2.981   1.862
  129   1HG   ARG  17          2HG       ARG  17 -17.046  -1.342   0.373
  130   2HG   ARG  17          1HG       ARG  17 -18.056  -1.961  -0.934
  131   1HD   ARG  17          2HD       ARG  17 -19.857  -0.809  -0.250
  132   2HD   ARG  17          1HD       ARG  17 -19.545  -1.149   1.452
  133    HE   ARG  17           HE       ARG  17 -18.515   0.883   1.620
  134   1HH1  ARG  17          1HH1      ARG  17 -18.715  -0.008  -1.738
  135   2HH1  ARG  17          2HH1      ARG  17 -18.129   1.517  -2.314
  136   1HH2  ARG  17          1HH2      ARG  17 -17.747   2.903   0.872
  137   2HH2  ARG  17          2HH2      ARG  17 -17.580   3.171  -0.831
  138    H    GLU  18           H        GLU  18 -16.061  -2.939  -1.514
  139    HA   GLU  18           HA       GLU  18 -13.465  -3.582  -0.316
  140   1HB   GLU  18          2HB       GLU  18 -14.218  -2.539  -3.044
  141   2HB   GLU  18          1HB       GLU  18 -12.558  -2.709  -2.489
  142   1HG   GLU  18          2HG       GLU  18 -12.541  -4.889  -2.913
  143   2HG   GLU  18          1HG       GLU  18 -14.074  -5.136  -2.079
  144    H    VAL  19           H        VAL  19 -11.780  -1.655  -0.673
  145    HA   VAL  19           HA       VAL  19 -13.159   0.797   0.249
  146    HB   VAL  19           HB       VAL  19 -12.037  -0.416   2.102
  147   1HG1  VAL  19          1HG1      VAL  19  -9.738  -0.711   2.227
  148   2HG1  VAL  19          2HG1      VAL  19  -9.418   0.453   0.941
  149   3HG1  VAL  19          3HG1      VAL  19 -10.104  -1.125   0.552
  150   1HG2  VAL  19          1HG2      VAL  19 -10.780   2.259   1.510
  151   2HG2  VAL  19          2HG2      VAL  19 -11.067   1.536   3.093
  152   3HG2  VAL  19          3HG2      VAL  19 -12.429   2.045   2.096
  153    H    THR  20           H        THR  20 -12.169   2.807  -0.121
  154    HA   THR  20           HA       THR  20 -10.487   2.855  -2.523
  155    HB   THR  20           HB       THR  20 -11.433   5.441  -1.515
  156    HG1  THR  20           1HG      THR  20 -13.631   4.966  -2.246
  157   1HG2  THR  20          1HG2      THR  20 -10.475   5.231  -3.716
  158   2HG2  THR  20          2HG2      THR  20 -12.180   5.653  -3.876
  159   3HG2  THR  20          3HG2      THR  20 -11.654   3.993  -4.152
  160    H    VAL  21           H        VAL  21  -8.807   4.504  -2.664
  161    HA   VAL  21           HA       VAL  21  -7.215   4.556  -0.235
  162    HB   VAL  21           HB       VAL  21  -6.564   5.703  -2.955
  163   1HG1  VAL  21          1HG1      VAL  21  -5.119   5.550  -0.383
  164   2HG1  VAL  21          2HG1      VAL  21  -5.011   6.741  -1.679
  165   3HG1  VAL  21          3HG1      VAL  21  -4.187   5.189  -1.836
  166   1HG2  VAL  21          1HG2      VAL  21  -6.563   3.511  -3.517
  167   2HG2  VAL  21          2HG2      VAL  21  -6.389   2.971  -1.847
  168   3HG2  VAL  21          3HG2      VAL  21  -4.981   3.542  -2.741
  169    H    LYS  22           H        LYS  22  -7.492   6.127   1.210
  170    HA   LYS  22           HA       LYS  22  -8.797   8.592   0.497
  171   1HB   LYS  22          2HB       LYS  22  -9.079   7.295   2.685
  172   2HB   LYS  22          1HB       LYS  22  -7.524   7.969   3.155
  173   1HG   LYS  22          2HG       LYS  22  -8.725   9.644   4.007
  174   2HG   LYS  22          1HG       LYS  22  -8.876  10.192   2.337
  175   1HD   LYS  22          2HD       LYS  22 -10.820   8.167   3.300
  176   2HD   LYS  22          1HD       LYS  22 -10.990   9.815   3.907
  177   1HE   LYS  22          2HE       LYS  22 -10.722  10.419   1.358
  178   2HE   LYS  22          1HE       LYS  22 -11.287   8.763   1.137
  179   1HZ   LYS  22          1HZ       LYS  22 -12.785  10.455   2.985
  180   2HZ   LYS  22          2HZ       LYS  22 -13.337   9.259   1.925
  181   3HZ   LYS  22          3HZ       LYS  22 -12.939  10.793   1.334
  182    H    GLU  23           H        GLU  23  -5.525   7.536   1.188
  183    HA   GLU  23           HA       GLU  23  -4.574  10.168   0.346
  184   1HB   GLU  23          2HB       GLU  23  -4.179   8.941   3.001
  185   2HB   GLU  23          1HB       GLU  23  -2.742   9.638   2.264
  186   1HG   GLU  23          2HG       GLU  23  -3.738  11.782   2.137
  187   2HG   GLU  23          1HG       GLU  23  -5.327  11.140   2.549
  188    H    TRP  24           H        TRP  24  -2.971  10.066  -1.071
  189    HA   TRP  24           HA       TRP  24  -1.384   7.588  -1.263
  190   1HB   TRP  24          2HB       TRP  24  -2.991   8.975  -3.294
  191   2HB   TRP  24          1HB       TRP  24  -1.350   8.624  -3.819
  192    HD1  TRP  24           HD       TRP  24  -4.558   7.190  -4.124
  193    HE1  TRP  24           1HE      TRP  24  -4.504   4.638  -4.419
  194    HE3  TRP  24           3HE      TRP  24   0.205   6.308  -2.518
  195    HZ2  TRP  24           2HZ      TRP  24  -2.678   2.526  -4.018
  196    HZ3  TRP  24           3HZ      TRP  24   1.027   3.988  -2.500
  197    HH2  TRP  24           HH       TRP  24  -0.384   2.141  -3.234
  198    H    TYR  25           H        TYR  25   0.693   8.028  -0.771
  199    HA   TYR  25           HA       TYR  25   1.742  10.669  -1.573
  200   1HB   TYR  25          2HB       TYR  25   2.146   9.122   0.969
  201   2HB   TYR  25          1HB       TYR  25   3.329  10.313   0.441
  202    HD1  TYR  25           1HD      TYR  25   2.082  12.614  -0.381
  203    HD2  TYR  25           2HD      TYR  25   0.650   9.876   2.544
  204    HE1  TYR  25           1HE      TYR  25   0.732  14.405   0.626
  205    HE2  TYR  25           2HE      TYR  25  -0.705  11.659   3.558
  206    HH   TYR  25           HH       TYR  25  -0.281  14.923   2.847
  207    H    VAL  26           H        VAL  26   1.900   8.411  -3.244
  208    HA   VAL  26           HA       VAL  26   4.758   8.301  -3.600
  209    HB   VAL  26           HB       VAL  26   5.013   5.902  -3.565
  210   1HG1  VAL  26          1HG1      VAL  26   3.633   6.802  -1.044
  211   2HG1  VAL  26          2HG1      VAL  26   5.323   7.103  -1.450
  212   3HG1  VAL  26          3HG1      VAL  26   4.750   5.453  -1.204
  213   1HG2  VAL  26          1HG2      VAL  26   2.216   5.871  -3.847
  214   2HG2  VAL  26          2HG2      VAL  26   2.571   5.102  -2.301
  215   3HG2  VAL  26          3HG2      VAL  26   3.310   4.489  -3.780
  216    H    LYS  27           H        LYS  27   5.373   7.300  -5.642
  217    HA   LYS  27           HA       LYS  27   3.175   6.910  -7.539
  218   1HB   LYS  27          2HB       LYS  27   5.538   8.703  -8.116
  219   2HB   LYS  27          1HB       LYS  27   4.175   8.381  -9.178
  220   1HG   LYS  27          2HG       LYS  27   3.022   9.333  -6.839
  221   2HG   LYS  27          1HG       LYS  27   4.454  10.336  -7.077
  222   1HD   LYS  27          2HD       LYS  27   2.890  11.494  -8.306
  223   2HD   LYS  27          1HD       LYS  27   3.595  10.454  -9.546
  224   1HE   LYS  27          2HE       LYS  27   1.753   8.843  -9.181
  225   2HE   LYS  27          1HE       LYS  27   1.032   9.969  -8.032
  226   1HZ   LYS  27          1HZ       LYS  27   0.112  10.051 -10.341
  227   2HZ   LYS  27          2HZ       LYS  27   1.596  10.680 -10.854
  228   3HZ   LYS  27          3HZ       LYS  27   0.655  11.537  -9.740
  229    H    GLU  28           H        GLU  28   3.824   5.827  -9.510
  230    HA   GLU  28           HA       GLU  28   5.395   3.580  -9.107
  231   1HB   GLU  28          2HB       GLU  28   5.071   4.779 -11.847
  232   2HB   GLU  28          1HB       GLU  28   5.089   3.084 -11.385
  233   1HG   GLU  28          2HG       GLU  28   2.877   3.214 -11.614
  234   2HG   GLU  28          1HG       GLU  28   2.919   3.981 -10.027
  235    H    GLY  29           H        GLY  29   7.527   3.114  -9.281
  236   1HA   GLY  29          2HA       GLY  29   9.775   3.395  -9.735
  237   2HA   GLY  29          1HA       GLY  29   9.345   4.722 -10.804
  238    H    ASP  30           H        ASP  30   7.911   5.275  -7.857
  239    HA   ASP  30           HA       ASP  30   9.949   7.242  -7.169
  240   1HB   ASP  30          2HB       ASP  30   7.353   7.643  -7.416
  241   2HB   ASP  30          1HB       ASP  30   7.321   7.053  -5.757
  242    H    THR  31           H        THR  31  10.620   7.562  -4.987
  243    HA   THR  31           HA       THR  31  10.797   5.037  -3.514
  244    HB   THR  31           HB       THR  31  12.368   7.530  -2.894
  245    HG1  THR  31           1HG      THR  31  13.652   7.131  -4.542
  246   1HG2  THR  31          1HG2      THR  31  12.325   5.675  -1.247
  247   2HG2  THR  31          2HG2      THR  31  13.934   5.972  -1.907
  248   3HG2  THR  31          3HG2      THR  31  12.984   4.603  -2.482
  249    H    VAL  32           H        VAL  32  10.508   4.990  -1.247
  250    HA   VAL  32           HA       VAL  32   8.650   7.035  -0.249
  251    HB   VAL  32           HB       VAL  32   8.315   4.888   1.436
  252   1HG1  VAL  32          1HG1      VAL  32   6.418   4.654  -0.643
  253   2HG1  VAL  32          2HG1      VAL  32   6.832   6.359  -0.475
  254   3HG1  VAL  32          3HG1      VAL  32   6.244   5.452   0.920
  255   1HG2  VAL  32          1HG2      VAL  32   7.926   2.926   0.022
  256   2HG2  VAL  32          2HG2      VAL  32   9.624   3.398   0.023
  257   3HG2  VAL  32          3HG2      VAL  32   8.601   3.789  -1.360
  258    H    SER  33           H        SER  33   8.611   7.164   2.183
  259    HA   SER  33           HA       SER  33  11.264   6.769   3.370
  260   1HB   SER  33          2HB       SER  33   9.728   9.315   3.842
  261   2HB   SER  33          1HB       SER  33  11.434   8.985   4.143
  262    HG   SER  33           HG       SER  33  11.668   8.826   1.828
  263    H    GLN  34           H        GLN  34  11.252   6.758   5.710
  264    HA   GLN  34           HA       GLN  34   9.245   5.222   6.833
  265   1HB   GLN  34          2HB       GLN  34  10.258   5.658   8.971
  266   2HB   GLN  34          1HB       GLN  34  11.533   5.524   7.768
  267   1HG   GLN  34          2HG       GLN  34  10.531   8.245   8.252
  268   2HG   GLN  34          1HG       GLN  34  11.374   7.486   9.602
  269   1HE2  GLN  34          1HE2      GLN  34  13.463   6.363   8.917
  270   2HE2  GLN  34          2HE2      GLN  34  14.487   7.259   7.852
  271    H    PHE  35           H        PHE  35   9.366   8.640   6.358
  272    HA   PHE  35           HA       PHE  35   7.106   9.080   8.159
  273   1HB   PHE  35          2HB       PHE  35   9.198  10.611   7.982
  274   2HB   PHE  35          1HB       PHE  35   8.426  11.226   6.524
  275    HD1  PHE  35           1HD      PHE  35   7.024  10.230   9.829
  276    HD2  PHE  35           2HD      PHE  35   7.632  13.333   6.982
  277    HE1  PHE  35           1HE      PHE  35   5.652  11.749  11.197
  278    HE2  PHE  35           2HE      PHE  35   6.263  14.858   8.344
  279    HZ   PHE  35           HZ       PHE  35   5.271  14.065  10.454
  280    H    ASP  36           H        ASP  36   7.865   8.774   4.803
  281    HA   ASP  36           HA       ASP  36   5.278   9.880   4.008
  282   1HB   ASP  36          2HB       ASP  36   7.783   9.149   2.532
  283   2HB   ASP  36          1HB       ASP  36   6.257   9.253   1.659
  284    H    SER  37           H        SER  37   3.694   8.451   4.387
  285    HA   SER  37           HA       SER  37   4.000   5.635   4.181
  286   1HB   SER  37          2HB       SER  37   1.255   6.254   3.963
  287   2HB   SER  37          1HB       SER  37   2.134   5.775   5.415
  288    HG   SER  37           HG       SER  37   0.990   7.839   5.516
  289    H    ILE  38           H        ILE  38   2.955   4.213   2.688
  290    HA   ILE  38           HA       ILE  38   3.189   5.117  -0.035
  291    HB   ILE  38           HB       ILE  38   2.398   2.420   1.069
  292   1HG1  ILE  38          2HG1      ILE  38   5.012   3.652   0.227
  293   2HG1  ILE  38          1HG1      ILE  38   4.621   2.842   1.737
  294   1HG2  ILE  38          1HG2      ILE  38   2.995   1.614  -1.226
  295   2HG2  ILE  38          2HG2      ILE  38   3.051   3.299  -1.741
  296   3HG2  ILE  38          3HG2      ILE  38   1.538   2.605  -1.157
  297   1HD1  ILE  38          1HD1      ILE  38   5.498   0.989   0.928
  298   2HD1  ILE  38          2HD1      ILE  38   5.794   1.778  -0.622
  299   3HD1  ILE  38          3HD1      ILE  38   4.258   0.959  -0.326
  300    H    CYS  39           H        CYS  39   0.610   3.112   1.358
  301    HA   CYS  39           HA       CYS  39  -1.344   4.796  -0.065
  302   1HB   CYS  39          2HB       CYS  39  -1.017   2.445  -0.943
  303   2HB   CYS  39          1HB       CYS  39  -1.671   1.867   0.585
  304    HG   CYS  39           HG       CYS  39  -4.193   2.864   0.239
  305    H    GLU  40           H        GLU  40  -3.344   5.179   0.925
  306    HA   GLU  40           HA       GLU  40  -3.632   4.373   3.726
  307   1HB   GLU  40          2HB       GLU  40  -3.206   7.107   2.722
  308   2HB   GLU  40          1HB       GLU  40  -4.580   6.938   3.802
  309   1HG   GLU  40          2HG       GLU  40  -3.291   6.649   5.602
  310   2HG   GLU  40          1HG       GLU  40  -2.150   5.614   4.746
  311    H    VAL  41           H        VAL  41  -5.618   3.613   4.084
  312    HA   VAL  41           HA       VAL  41  -7.807   4.569   2.361
  313    HB   VAL  41           HB       VAL  41  -8.781   2.341   2.336
  314   1HG1  VAL  41          1HG1      VAL  41  -5.974   2.675   1.355
  315   2HG1  VAL  41          2HG1      VAL  41  -7.485   2.680   0.445
  316   3HG1  VAL  41          3HG1      VAL  41  -6.844   1.165   1.083
  317   1HG2  VAL  41          1HG2      VAL  41  -6.711   0.651   3.144
  318   2HG2  VAL  41          2HG2      VAL  41  -8.254   0.912   3.959
  319   3HG2  VAL  41          3HG2      VAL  41  -6.843   1.866   4.416
  320    H    GLN  42           H        GLN  42  -9.822   4.800   3.309
  321    HA   GLN  42           HA       GLN  42  -9.940   4.344   6.217
  322   1HB   GLN  42          2HB       GLN  42 -10.511   6.834   4.673
  323   2HB   GLN  42          1HB       GLN  42 -11.455   6.500   6.119
  324   1HG   GLN  42          2HG       GLN  42  -9.726   6.897   7.507
  325   2HG   GLN  42          1HG       GLN  42  -8.533   6.229   6.392
  326   1HE2  GLN  42          1HE2      GLN  42  -7.142   7.662   5.694
  327   2HE2  GLN  42          2HE2      GLN  42  -7.443   9.341   5.427
  328    H    SER  43           H        SER  43 -11.631   3.208   6.859
  329    HA   SER  43           HA       SER  43 -13.959   3.008   5.063
  330   1HB   SER  43          2HB       SER  43 -12.294   0.960   5.989
  331   2HB   SER  43          1HB       SER  43 -13.751   0.834   6.974
  332    HG   SER  43           HG       SER  43 -13.421   0.508   4.220
  333    H    ASP  44           H        ASP  44 -16.035   2.912   6.014
  334    HA   ASP  44           HA       ASP  44 -16.488   4.654   8.131
  335   1HB   ASP  44          2HB       ASP  44 -18.163   3.949   6.395
  336   2HB   ASP  44          1HB       ASP  44 -18.350   2.433   7.271
  337    H    LYS  45           H        LYS  45 -15.929   1.205   8.132
  338    HA   LYS  45           HA       LYS  45 -16.691   0.917  10.909
  339   1HB   LYS  45          2HB       LYS  45 -16.072  -1.427  10.638
  340   2HB   LYS  45          1HB       LYS  45 -17.129  -0.907   9.333
  341   1HG   LYS  45          2HG       LYS  45 -14.778  -0.457   8.161
  342   2HG   LYS  45          1HG       LYS  45 -14.298  -1.747   9.265
  343   1HD   LYS  45          2HD       LYS  45 -15.157  -3.231   7.850
  344   2HD   LYS  45          1HD       LYS  45 -16.753  -2.522   8.110
  345   1HE   LYS  45          2HE       LYS  45 -15.675  -0.742   6.376
  346   2HE   LYS  45          1HE       LYS  45 -14.892  -2.231   5.850
  347   1HZ   LYS  45          1HZ       LYS  45 -17.794  -1.662   5.995
  348   2HZ   LYS  45          2HZ       LYS  45 -17.183  -3.226   5.801
  349   3HZ   LYS  45          3HZ       LYS  45 -16.878  -2.049   4.626
  350    H    ALA  46           H        ALA  46 -13.689   0.889   9.011
  351    HA   ALA  46           HA       ALA  46 -12.223   1.639  11.406
  352   1HB   ALA  46          1HB       ALA  46 -10.562  -0.109  11.186
  353   2HB   ALA  46          2HB       ALA  46 -11.422  -0.785   9.803
  354   3HB   ALA  46          3HB       ALA  46 -12.161  -0.820  11.404
  355    H    SER  47           H        SER  47 -10.127   2.498  10.979
  356    HA   SER  47           HA       SER  47  -9.683   3.243   8.162
  357   1HB   SER  47          2HB       SER  47  -8.534   5.314   9.435
  358   2HB   SER  47          1HB       SER  47 -10.230   5.319   8.953
  359    HG   SER  47           HG       SER  47 -10.792   4.718  11.039
  360    H    VAL  48           H        VAL  48  -7.730   2.734   7.372
  361    HA   VAL  48           HA       VAL  48  -5.558   2.217   9.292
  362    HB   VAL  48           HB       VAL  48  -5.863   0.583   6.791
  363   1HG1  VAL  48          1HG1      VAL  48  -3.693   0.658   8.006
  364   2HG1  VAL  48          2HG1      VAL  48  -4.404  -0.954   7.916
  365   3HG1  VAL  48          3HG1      VAL  48  -4.506  -0.027   9.413
  366   1HG2  VAL  48          1HG2      VAL  48  -6.991  -0.093   9.508
  367   2HG2  VAL  48          2HG2      VAL  48  -6.946  -1.166   8.109
  368   3HG2  VAL  48          3HG2      VAL  48  -7.929   0.297   8.067
  369    H    THR  49           H        THR  49  -3.518   2.767   8.694
  370    HA   THR  49           HA       THR  49  -3.179   4.091   6.084
  371    HB   THR  49           HB       THR  49  -1.737   5.750   7.079
  372    HG1  THR  49           1HG      THR  49  -1.444   5.746   9.391
  373   1HG2  THR  49          1HG2      THR  49  -3.399   7.064   7.858
  374   2HG2  THR  49          2HG2      THR  49  -3.883   5.897   9.088
  375   3HG2  THR  49          3HG2      THR  49  -4.430   5.700   7.422
  376    H    ILE  50           H        ILE  50  -1.453   3.407   4.922
  377    HA   ILE  50           HA       ILE  50   0.249   1.381   6.171
  378    HB   ILE  50           HB       ILE  50  -0.083   2.058   3.247
  379   1HG1  ILE  50          2HG1      ILE  50  -2.124   1.101   4.031
  380   2HG1  ILE  50          1HG1      ILE  50  -1.246  -0.191   3.218
  381   1HG2  ILE  50          1HG2      ILE  50   1.735   0.841   2.883
  382   2HG2  ILE  50          2HG2      ILE  50   0.941  -0.544   3.634
  383   3HG2  ILE  50          3HG2      ILE  50   1.915   0.553   4.614
  384   1HD1  ILE  50          1HD1      ILE  50  -0.490  -1.019   5.402
  385   2HD1  ILE  50          2HD1      ILE  50  -2.247  -1.008   5.250
  386   3HD1  ILE  50          3HD1      ILE  50  -1.436   0.246   6.187
  387    H    THR  51           H        THR  51   2.001   2.184   7.080
  388    HA   THR  51           HA       THR  51   3.458   4.370   5.784
  389    HB   THR  51           HB       THR  51   3.146   4.860   8.067
  390    HG1  THR  51           1HG      THR  51   5.236   5.004   8.781
  391   1HG2  THR  51          1HG2      THR  51   2.454   3.015   9.215
  392   2HG2  THR  51          2HG2      THR  51   4.133   3.052   9.752
  393   3HG2  THR  51          3HG2      THR  51   3.648   1.962   8.453
  394    H    SER  52           H        SER  52   5.986   4.050   6.349
  395    HA   SER  52           HA       SER  52   6.680   1.389   5.286
  396   1HB   SER  52          2HB       SER  52   7.271   4.004   4.264
  397   2HB   SER  52          1HB       SER  52   8.777   3.197   4.700
  398    HG   SER  52           HG       SER  52   7.769   1.340   3.490
  399    H    ARG  53           H        ARG  53   7.711   4.029   7.402
  400    HA   ARG  53           HA       ARG  53   9.047   4.062   9.236
  401   1HB   ARG  53          2HB       ARG  53   8.920   2.289  10.654
  402   2HB   ARG  53          1HB       ARG  53   7.700   1.761   9.512
  403   1HG   ARG  53          2HG       ARG  53   8.814  -0.155   9.419
  404   2HG   ARG  53          1HG       ARG  53  10.043   0.697   8.487
  405   1HD   ARG  53          2HD       ARG  53  10.996  -0.525  10.399
  406   2HD   ARG  53          1HD       ARG  53  11.265   1.214  10.513
  407    HE   ARG  53           HE       ARG  53   8.922   0.244  11.900
  408   1HH1  ARG  53          1HH1      ARG  53  12.320   0.994  12.121
  409   2HH1  ARG  53          2HH1      ARG  53  12.291   1.201  13.840
  410   1HH2  ARG  53          1HH2      ARG  53   8.878   0.515  14.160
  411   2HH2  ARG  53          2HH2      ARG  53  10.337   0.928  14.998
  412    H    TYR  54           H        TYR  54   9.982   3.454   6.321
  413    HA   TYR  54           HA       TYR  54  12.747   3.756   6.773
  414   1HB   TYR  54          2HB       TYR  54  11.711   1.029   6.058
  415   2HB   TYR  54          1HB       TYR  54  13.254   1.568   5.403
  416    HD1  TYR  54           1HD      TYR  54  11.920  -0.364   7.874
  417    HD2  TYR  54           2HD      TYR  54  14.716   2.810   7.409
  418    HE1  TYR  54           1HE      TYR  54  13.038  -1.050   9.954
  419    HE2  TYR  54           2HE      TYR  54  15.840   2.132   9.488
  420    HH   TYR  54           HH       TYR  54  15.992  -0.259  10.801
  421    H    ASP  55           H        ASP  55  13.900   3.567   4.506
  422    HA   ASP  55           HA       ASP  55  12.061   4.830   2.617
  423   1HB   ASP  55          2HB       ASP  55  15.016   4.680   2.151
  424   2HB   ASP  55          1HB       ASP  55  13.868   5.920   1.655
  425    H    GLY  56           H        GLY  56  11.309   3.789   0.914
  426   1HA   GLY  56          2HA       GLY  56  12.852   1.501  -0.117
  427   2HA   GLY  56          1HA       GLY  56  11.134   1.342   0.208
  428    H    VAL  57           H        VAL  57  12.155   0.769  -2.285
  429    HA   VAL  57           HA       VAL  57  11.477   3.127  -3.910
  430    HB   VAL  57           HB       VAL  57  12.778   0.576  -4.855
  431   1HG1  VAL  57          1HG1      VAL  57  13.109   3.148  -6.272
  432   2HG1  VAL  57          2HG1      VAL  57  11.519   2.391  -6.367
  433   3HG1  VAL  57          3HG1      VAL  57  12.948   1.512  -6.909
  434   1HG2  VAL  57          1HG2      VAL  57  13.874   2.820  -3.383
  435   2HG2  VAL  57          2HG2      VAL  57  14.663   2.605  -4.945
  436   3HG2  VAL  57          3HG2      VAL  57  14.611   1.271  -3.793
  437    H    ILE  58           H        ILE  58   9.541   3.252  -4.792
  438    HA   ILE  58           HA       ILE  58   7.933   0.818  -5.136
  439    HB   ILE  58           HB       ILE  58   7.006   3.683  -5.367
  440   1HG1  ILE  58          2HG1      ILE  58   6.839   1.816  -2.997
  441   2HG1  ILE  58          1HG1      ILE  58   7.949   3.178  -3.124
  442   1HG2  ILE  58          1HG2      ILE  58   5.679   1.024  -5.403
  443   2HG2  ILE  58          2HG2      ILE  58   5.334   2.472  -6.350
  444   3HG2  ILE  58          3HG2      ILE  58   4.826   2.380  -4.661
  445   1HD1  ILE  58          1HD1      ILE  58   6.371   4.667  -2.587
  446   2HD1  ILE  58          2HD1      ILE  58   5.516   3.266  -1.939
  447   3HD1  ILE  58          3HD1      ILE  58   5.138   3.862  -3.555
  448    H    LYS  59           H        LYS  59   7.548   0.015  -7.096
  449    HA   LYS  59           HA       LYS  59   8.592   1.490  -9.392
  450   1HB   LYS  59          2HB       LYS  59   9.269  -0.901  -8.772
  451   2HB   LYS  59          1HB       LYS  59   7.704  -1.376  -9.418
  452   1HG   LYS  59          2HG       LYS  59   8.303  -0.378 -11.575
  453   2HG   LYS  59          1HG       LYS  59   9.882   0.062 -10.921
  454   1HD   LYS  59          2HD       LYS  59  10.134  -2.436 -10.383
  455   2HD   LYS  59          1HD       LYS  59   8.773  -2.672 -11.481
  456   1HE   LYS  59          2HE       LYS  59  10.022  -2.281 -13.304
  457   2HE   LYS  59          1HE       LYS  59  10.886  -0.946 -12.542
  458   1HZ   LYS  59          1HZ       LYS  59  12.092  -2.764 -11.252
  459   2HZ   LYS  59          2HZ       LYS  59  12.499  -2.568 -12.882
  460   3HZ   LYS  59          3HZ       LYS  59  11.483  -3.836 -12.411
  461    H    LYS  60           H        LYS  60   5.543  -0.081  -8.376
  462    HA   LYS  60           HA       LYS  60   4.248   1.429 -10.527
  463   1HB   LYS  60          2HB       LYS  60   3.036  -1.194 -10.317
  464   2HB   LYS  60          1HB       LYS  60   3.579  -0.320 -11.739
  465   1HG   LYS  60          2HG       LYS  60   4.859  -2.237 -11.799
  466   2HG   LYS  60          1HG       LYS  60   5.941  -1.082 -11.019
  467   1HD   LYS  60          2HD       LYS  60   5.366  -1.972  -8.833
  468   2HD   LYS  60          1HD       LYS  60   4.198  -3.075  -9.569
  469   1HE   LYS  60          2HE       LYS  60   7.080  -3.115 -10.394
  470   2HE   LYS  60          1HE       LYS  60   6.544  -3.973  -8.955
  471   1HZ   LYS  60          1HZ       LYS  60   5.905  -5.629 -10.252
  472   2HZ   LYS  60          2HZ       LYS  60   6.344  -4.769 -11.640
  473   3HZ   LYS  60          3HZ       LYS  60   4.781  -4.616 -11.010
  474    H    LEU  61           H        LEU  61   2.200   2.052 -10.208
  475    HA   LEU  61           HA       LEU  61   0.760   1.173  -7.820
  476   1HB   LEU  61          2HB       LEU  61   1.419   4.028  -8.542
  477   2HB   LEU  61          1HB       LEU  61   0.106   3.607  -7.457
  478    HG   LEU  61           HG       LEU  61   2.641   2.374  -6.696
  479   1HD1  LEU  61          1HD1      LEU  61   2.790   5.136  -5.895
  480   2HD1  LEU  61          2HD1      LEU  61   2.862   4.983  -7.650
  481   3HD1  LEU  61          3HD1      LEU  61   4.018   4.113  -6.641
  482   1HD2  LEU  61          1HD2      LEU  61   1.143   4.289  -4.996
  483   2HD2  LEU  61          2HD2      LEU  61   1.862   2.732  -4.587
  484   3HD2  LEU  61          3HD2      LEU  61   0.334   2.794  -5.464
  485    H    TYR  62           H        TYR  62  -1.234   0.567  -8.441
  486    HA   TYR  62           HA       TYR  62  -2.235   1.596 -10.996
  487   1HB   TYR  62          2HB       TYR  62  -1.949  -0.914 -10.479
  488   2HB   TYR  62          1HB       TYR  62  -3.412  -0.737  -9.515
  489    HD1  TYR  62           1HD      TYR  62  -2.259  -1.745 -12.596
  490    HD2  TYR  62           2HD      TYR  62  -5.318   0.670 -10.889
  491    HE1  TYR  62           1HE      TYR  62  -3.613  -2.035 -14.627
  492    HE2  TYR  62           2HE      TYR  62  -6.681   0.386 -12.917
  493    HH   TYR  62           HH       TYR  62  -6.914  -0.855 -14.823
  494    H    TYR  63           H        TYR  63  -3.347   1.020  -7.662
  495    HA   TYR  63           HA       TYR  63  -5.868   2.331  -8.213
  496   1HB   TYR  63          2HB       TYR  63  -4.720   1.247  -5.634
  497   2HB   TYR  63          1HB       TYR  63  -6.358   1.865  -5.830
  498    HD1  TYR  63           1HD      TYR  63  -6.950   0.703  -8.542
  499    HD2  TYR  63           2HD      TYR  63  -5.156  -1.009  -5.084
  500    HE1  TYR  63           1HE      TYR  63  -7.711  -1.523  -9.259
  501    HE2  TYR  63           2HE      TYR  63  -5.910  -3.242  -5.793
  502    HH   TYR  63           HH       TYR  63  -7.295  -4.357  -7.213
  503    H    ASN  64           H        ASN  64  -6.437   4.363  -7.738
  504    HA   ASN  64           HA       ASN  64  -4.405   6.100  -6.527
  505   1HB   ASN  64          2HB       ASN  64  -6.764   6.884  -8.245
  506   2HB   ASN  64          1HB       ASN  64  -5.481   7.955  -7.671
  507   1HD2  ASN  64          1HD2      ASN  64  -3.212   7.014  -8.241
  508   2HD2  ASN  64          2HD2      ASN  64  -3.024   6.538  -9.891
  509    H    LEU  65           H        LEU  65  -5.798   8.254  -5.865
  510    HA   LEU  65           HA       LEU  65  -6.868   7.667  -3.363
  511   1HB   LEU  65          2HB       LEU  65  -6.721  10.076  -5.118
  512   2HB   LEU  65          1HB       LEU  65  -7.673  10.137  -3.654
  513    HG   LEU  65           HG       LEU  65  -4.958   9.091  -3.282
  514   1HD1  LEU  65          1HD1      LEU  65  -4.732  10.888  -5.065
  515   2HD1  LEU  65          2HD1      LEU  65  -3.773  11.091  -3.599
  516   3HD1  LEU  65          3HD1      LEU  65  -5.249  12.030  -3.824
  517   1HD2  LEU  65          1HD2      LEU  65  -5.766   9.536  -1.243
  518   2HD2  LEU  65          2HD2      LEU  65  -6.976  10.661  -1.859
  519   3HD2  LEU  65          3HD2      LEU  65  -5.319  11.205  -1.594
  520    H    ASP  66           H        ASP  66  -8.346   7.658  -6.458
  521    HA   ASP  66           HA       ASP  66 -11.023   7.898  -5.276
  522   1HB   ASP  66          2HB       ASP  66 -10.535   9.394  -7.163
  523   2HB   ASP  66          1HB       ASP  66 -10.165   8.002  -8.175
  524    H    ASP  67           H        ASP  67  -8.865   5.686  -6.846
  525    HA   ASP  67           HA       ASP  67 -10.863   3.789  -7.599
  526   1HB   ASP  67          2HB       ASP  67  -7.920   3.255  -7.238
  527   2HB   ASP  67          1HB       ASP  67  -9.060   2.357  -8.232
  528    H    ILE  68           H        ILE  68 -11.154   1.699  -6.799
  529    HA   ILE  68           HA       ILE  68 -10.816   1.459  -3.882
  530    HB   ILE  68           HB       ILE  68 -12.662  -0.056  -5.736
  531   1HG1  ILE  68          2HG1      ILE  68 -13.108   2.454  -5.297
  532   2HG1  ILE  68          1HG1      ILE  68 -14.432   1.316  -5.076
  533   1HG2  ILE  68          1HG2      ILE  68 -12.872  -1.522  -4.097
  534   2HG2  ILE  68          2HG2      ILE  68 -13.531  -0.254  -3.067
  535   3HG2  ILE  68          3HG2      ILE  68 -11.797  -0.589  -3.056
  536   1HD1  ILE  68          1HD1      ILE  68 -12.713   2.297  -2.818
  537   2HD1  ILE  68          2HD1      ILE  68 -14.243   1.423  -2.720
  538   3HD1  ILE  68          3HD1      ILE  68 -14.211   3.082  -3.319
  539    H    ALA  69           H        ALA  69  -9.888  -0.301  -2.983
  540    HA   ALA  69           HA       ALA  69  -8.546  -2.148  -4.834
  541   1HB   ALA  69          1HB       ALA  69  -7.684  -1.653  -2.005
  542   2HB   ALA  69          2HB       ALA  69  -7.159  -0.611  -3.325
  543   3HB   ALA  69          3HB       ALA  69  -6.754  -2.328  -3.341
  544    H    TYR  70           H        TYR  70  -8.486  -4.363  -4.282
  545    HA   TYR  70           HA       TYR  70 -10.538  -5.189  -2.334
  546   1HB   TYR  70          2HB       TYR  70  -9.881  -7.028  -4.568
  547   2HB   TYR  70          1HB       TYR  70 -11.425  -6.714  -3.787
  548    HD1  TYR  70           1HD      TYR  70 -11.627  -3.761  -4.182
  549    HD2  TYR  70           2HD      TYR  70 -10.381  -6.839  -6.840
  550    HE1  TYR  70           1HE      TYR  70 -12.303  -2.374  -6.093
  551    HE2  TYR  70           2HE      TYR  70 -11.053  -5.459  -8.760
  552    HH   TYR  70           HH       TYR  70 -11.338  -2.907  -9.185
  553    H    VAL  71           H        VAL  71 -10.013  -6.748  -0.891
  554    HA   VAL  71           HA       VAL  71  -7.264  -7.337  -0.464
  555    HB   VAL  71           HB       VAL  71  -8.806  -7.139   1.411
  556   1HG1  VAL  71          1HG1      VAL  71 -10.104  -9.590   0.234
  557   2HG1  VAL  71          2HG1      VAL  71 -10.826  -7.996   0.453
  558   3HG1  VAL  71          3HG1      VAL  71 -10.423  -8.982   1.858
  559   1HG2  VAL  71          1HG2      VAL  71  -8.228  -9.920   1.874
  560   2HG2  VAL  71          2HG2      VAL  71  -7.477  -8.488   2.579
  561   3HG2  VAL  71          3HG2      VAL  71  -6.879  -9.137   1.051
  562    H    GLY  72           H        GLY  72  -6.101  -9.178  -0.818
  563   1HA   GLY  72          2HA       GLY  72  -6.211 -11.639  -1.171
  564   2HA   GLY  72          1HA       GLY  72  -7.475 -11.305  -2.344
  565    H    LYS  73           H        LYS  73  -5.572  -8.823  -2.949
  566    HA   LYS  73           HA       LYS  73  -3.464 -10.197  -4.382
  567   1HB   LYS  73          2HB       LYS  73  -5.730  -8.774  -5.746
  568   2HB   LYS  73          1HB       LYS  73  -4.161  -8.946  -6.521
  569   1HG   LYS  73          2HG       LYS  73  -5.825 -11.249  -5.526
  570   2HG   LYS  73          1HG       LYS  73  -5.818 -10.663  -7.190
  571   1HD   LYS  73          2HD       LYS  73  -3.295 -11.501  -5.789
  572   2HD   LYS  73          1HD       LYS  73  -4.321 -12.659  -6.636
  573   1HE   LYS  73          2HE       LYS  73  -4.112 -10.804  -8.546
  574   2HE   LYS  73          1HE       LYS  73  -2.591 -10.505  -7.704
  575   1HZ   LYS  73          1HZ       LYS  73  -3.455 -12.868  -9.200
  576   2HZ   LYS  73          2HZ       LYS  73  -2.424 -13.102  -7.880
  577   3HZ   LYS  73          3HZ       LYS  73  -1.944 -12.108  -9.161
  578    HA   PRO  74           HA       PRO  74  -1.493  -6.369  -3.203
  579   1HB   PRO  74          2HB       PRO  74   0.723  -7.064  -4.949
  580   2HB   PRO  74          1HB       PRO  74   0.675  -7.000  -3.187
  581   1HG   PRO  74          2HG       PRO  74   0.894  -9.317  -4.605
  582   2HG   PRO  74          1HG       PRO  74   0.169  -9.217  -2.992
  583   1HD   PRO  74          2HD       PRO  74  -1.154  -9.420  -5.660
  584   2HD   PRO  74          1HD       PRO  74  -1.617 -10.137  -4.103
  585    H    LEU  75           H        LEU  75  -0.944  -4.352  -4.107
  586    HA   LEU  75           HA       LEU  75  -1.582  -4.122  -6.967
  587   1HB   LEU  75          2HB       LEU  75  -2.357  -1.776  -6.402
  588   2HB   LEU  75          1HB       LEU  75  -3.389  -3.100  -5.905
  589    HG   LEU  75           HG       LEU  75  -3.145  -1.222  -4.253
  590   1HD1  LEU  75          1HD1      LEU  75  -3.924  -2.805  -2.915
  591   2HD1  LEU  75          2HD1      LEU  75  -2.257  -3.215  -2.503
  592   3HD1  LEU  75          3HD1      LEU  75  -3.071  -4.056  -3.822
  593   1HD2  LEU  75          1HD2      LEU  75  -0.602  -1.098  -4.741
  594   2HD2  LEU  75          2HD2      LEU  75  -0.487  -2.379  -3.533
  595   3HD2  LEU  75          3HD2      LEU  75  -1.185  -0.819  -3.101
  596    H    VAL  76           H        VAL  76   0.747  -3.471  -4.516
  597    HA   VAL  76           HA       VAL  76   2.348  -2.083  -6.548
  598    HB   VAL  76           HB       VAL  76   1.312  -0.345  -5.105
  599   1HG1  VAL  76          1HG1      VAL  76   2.308  -0.086  -2.807
  600   2HG1  VAL  76          2HG1      VAL  76   2.908  -1.737  -2.963
  601   3HG1  VAL  76          3HG1      VAL  76   1.173  -1.423  -2.989
  602   1HG2  VAL  76          1HG2      VAL  76   4.097   0.001  -4.366
  603   2HG2  VAL  76          2HG2      VAL  76   3.107   0.920  -5.499
  604   3HG2  VAL  76          3HG2      VAL  76   3.913  -0.557  -6.029
  605    H    ASP  77           H        ASP  77   4.543  -2.318  -6.426
  606    HA   ASP  77           HA       ASP  77   5.547  -4.249  -4.438
  607   1HB   ASP  77          2HB       ASP  77   6.878  -3.683  -7.080
  608   2HB   ASP  77          1HB       ASP  77   7.078  -5.081  -6.032
  609    H    ILE  78           H        ILE  78   7.039  -3.499  -3.047
  610    HA   ILE  78           HA       ILE  78   8.589  -1.118  -3.810
  611    HB   ILE  78           HB       ILE  78   7.598  -1.414  -1.002
  612   1HG1  ILE  78          2HG1      ILE  78   5.878   0.430  -2.041
  613   2HG1  ILE  78          1HG1      ILE  78   5.995  -0.710  -3.378
  614   1HG2  ILE  78          1HG2      ILE  78   8.524   0.880  -2.713
  615   2HG2  ILE  78          2HG2      ILE  78   9.304   0.205  -1.282
  616   3HG2  ILE  78          3HG2      ILE  78   7.787   1.092  -1.124
  617   1HD1  ILE  78          1HD1      ILE  78   4.711  -2.181  -2.345
  618   2HD1  ILE  78          2HD1      ILE  78   4.338  -0.904  -1.188
  619   3HD1  ILE  78          3HD1      ILE  78   5.633  -2.053  -0.847
  620    H    GLU  79           H        GLU  79  10.639  -0.900  -2.820
  621    HA   GLU  79           HA       GLU  79  11.668  -3.426  -1.728
  622   1HB   GLU  79          2HB       GLU  79  13.105  -1.005  -2.841
  623   2HB   GLU  79          1HB       GLU  79  13.911  -2.422  -2.184
  624   1HG   GLU  79          2HG       GLU  79  12.100  -3.373  -4.092
  625   2HG   GLU  79          1HG       GLU  79  12.882  -1.970  -4.814
  626    H    THR  80           H        THR  80  11.708  -3.544   0.421
  627    HA   THR  80           HA       THR  80  12.692  -1.248   1.945
  628    HB   THR  80           HB       THR  80  10.834  -2.092   3.695
  629    HG1  THR  80           1HG      THR  80   9.386  -2.180   1.269
  630   1HG2  THR  80          1HG2      THR  80  10.115   0.018   3.494
  631   2HG2  THR  80          2HG2      THR  80   9.605  -0.234   1.824
  632   3HG2  THR  80          3HG2      THR  80  11.281   0.183   2.182
  633    H    GLU  81           H        GLU  81  13.493  -1.802   4.061
  634    HA   GLU  81           HA       GLU  81  15.005  -4.150   4.129
  635   1HB   GLU  81          2HB       GLU  81  14.893  -1.843   5.625
  636   2HB   GLU  81          1HB       GLU  81  14.341  -3.059   6.769
  637   1HG   GLU  81          2HG       GLU  81  16.818  -3.528   5.172
  638   2HG   GLU  81          1HG       GLU  81  16.863  -2.492   6.597
  639    H    ALA  82           H        ALA  82  14.839  -6.006   5.509
  640    HA   ALA  82           HA       ALA  82  12.552  -7.461   5.361
  641   1HB   ALA  82          1HB       ALA  82  13.595  -9.028   6.632
  642   2HB   ALA  82          2HB       ALA  82  14.117  -7.859   7.845
  643   3HB   ALA  82          3HB       ALA  82  14.982  -7.986   6.313
  644    H    LEU  83           H        LEU  83  10.564  -6.910   5.977
  645    HA   LEU  83           HA       LEU  83  10.193  -5.870   8.708
  646   1HB   LEU  83          2HB       LEU  83   9.493  -4.653   6.248
  647   2HB   LEU  83          1HB       LEU  83   7.998  -5.154   7.014
  648    HG   LEU  83           HG       LEU  83   8.738  -3.924   9.078
  649   1HD1  LEU  83          1HD1      LEU  83  10.470  -2.040   8.127
  650   2HD1  LEU  83          2HD1      LEU  83  11.088  -3.517   7.387
  651   3HD1  LEU  83          3HD1      LEU  83  10.916  -3.414   9.139
  652   1HD2  LEU  83          1HD2      LEU  83   8.705  -1.725   7.238
  653   2HD2  LEU  83          2HD2      LEU  83   7.433  -2.298   8.317
  654   3HD2  LEU  83          3HD2      LEU  83   7.588  -2.979   6.698
  655    H    LYS  84           H        LYS  84   8.715  -6.862   9.960
  656    HA   LYS  84           HA       LYS  84   7.782  -9.423   9.303
  657   1HB   LYS  84          2HB       LYS  84   6.578  -7.668  11.437
  658   2HB   LYS  84          1HB       LYS  84   6.687  -9.422  11.412
  659   1HG   LYS  84          2HG       LYS  84   9.203  -9.126  11.485
  660   2HG   LYS  84          1HG       LYS  84   8.887  -7.431  11.864
  661   1HD   LYS  84          2HD       LYS  84   7.234  -8.854  13.590
  662   2HD   LYS  84          1HD       LYS  84   8.744  -9.768  13.571
  663   1HE   LYS  84          2HE       LYS  84   9.999  -7.847  14.227
  664   2HE   LYS  84          1HE       LYS  84   8.604  -6.791  14.006
  665   1HZ   LYS  84          1HZ       LYS  84   8.743  -8.974  16.013
  666   2HZ   LYS  84          2HZ       LYS  84   7.521  -7.814  15.858
  667   3HZ   LYS  84          3HZ       LYS  84   9.070  -7.349  16.351
  668    H    ASP  85           H        ASP  85   6.449  -6.304   8.696
  669    HA   ASP  85           HA       ASP  85   3.762  -6.577   8.622
  670   1HB   ASP  85          2HB       ASP  85   5.661  -4.897   7.356
  671   2HB   ASP  85          1HB       ASP  85   4.513  -5.403   6.120
  672    H    LEU  86           H        LEU  86   5.974  -7.765   6.103
  673    HA   LEU  86           HA       LEU  86   3.724  -9.209   4.885
  674   1HB   LEU  86          2HB       LEU  86   5.576  -7.641   3.688
  675   2HB   LEU  86          1HB       LEU  86   6.356  -9.204   3.544
  676    HG   LEU  86           HG       LEU  86   4.223 -10.051   2.481
  677   1HD1  LEU  86          1HD1      LEU  86   3.482  -7.309   1.726
  678   2HD1  LEU  86          2HD1      LEU  86   3.115  -7.763   3.390
  679   3HD1  LEU  86          3HD1      LEU  86   2.468  -8.715   2.054
  680   1HD2  LEU  86          1HD2      LEU  86   6.047  -9.681   1.048
  681   2HD2  LEU  86          2HD2      LEU  86   5.925  -7.929   1.206
  682   3HD2  LEU  86          3HD2      LEU  86   4.700  -8.820   0.304
  683    H    GLU  87           H        GLU  87   6.766  -9.633   6.513
  684    HA   GLU  87           HA       GLU  87   6.234 -12.348   7.107
  685   1HB   GLU  87          2HB       GLU  87   8.412 -13.136   5.890
  686   2HB   GLU  87          1HB       GLU  87   6.892 -13.059   5.011
  687   1HG   GLU  87          2HG       GLU  87   7.547 -11.277   3.749
  688   2HG   GLU  87          1HG       GLU  87   8.641 -10.662   4.987
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1  20.613   8.635   0.529
    2   2H    MET   1          2HT       MET   1  19.974   8.522  -1.033
    3   3H    MET   1          3HT       MET   1  19.404   7.501   0.189
    4    HA   MET   1           HA       MET   1  19.094  10.448   0.122
    5   1HB   MET   1          2HB       MET   1  17.573   8.242  -1.007
    6   2HB   MET   1          1HB       MET   1  16.598   9.204   0.096
    7   1HG   MET   1          2HG       MET   1  16.242  10.222  -1.944
    8   2HG   MET   1          1HG       MET   1  17.493  11.226  -1.213
    9   1HE   MET   1          1HE       MET   1  16.926  11.777  -3.715
   10   2HE   MET   1          2HE       MET   1  17.126  10.596  -5.010
   11   3HE   MET   1          3HE       MET   1  18.420  11.738  -4.650
   12    H    GLY   2           H        GLY   2  17.154   7.803   1.461
   13   1HA   GLY   2          2HA       GLY   2  17.299   7.229   3.842
   14   2HA   GLY   2          1HA       GLY   2  17.639   8.924   4.151
   15    H    GLN   3           H        GLN   3  15.386   9.143   1.853
   16    HA   GLN   3           HA       GLN   3  13.249   9.456   3.812
   17   1HB   GLN   3          2HB       GLN   3  13.352  10.288   0.907
   18   2HB   GLN   3          1HB       GLN   3  12.097  10.717   2.061
   19   1HG   GLN   3          2HG       GLN   3  13.440  12.608   1.950
   20   2HG   GLN   3          1HG       GLN   3  13.965  11.796   3.424
   21   1HE2  GLN   3          1HE2      GLN   3  15.941  12.932   3.281
   22   2HE2  GLN   3          2HE2      GLN   3  17.178  12.435   2.183
   23    H    VAL   4           H        VAL   4  11.129   8.620   3.444
   24    HA   VAL   4           HA       VAL   4  11.121   6.210   1.750
   25    HB   VAL   4           HB       VAL   4   9.563   5.170   3.289
   26   1HG1  VAL   4          1HG1      VAL   4  11.502   4.430   4.114
   27   2HG1  VAL   4          2HG1      VAL   4  11.195   5.546   5.445
   28   3HG1  VAL   4          3HG1      VAL   4  12.229   6.038   4.103
   29   1HG2  VAL   4          1HG2      VAL   4   9.140   6.292   5.512
   30   2HG2  VAL   4          2HG2      VAL   4   8.295   6.976   4.123
   31   3HG2  VAL   4          3HG2      VAL   4   9.725   7.782   4.769
   32    H    VAL   5           H        VAL   5   9.300   5.699   0.585
   33    HA   VAL   5           HA       VAL   5   7.467   7.926   0.061
   34    HB   VAL   5           HB       VAL   5   6.856   6.715  -1.979
   35   1HG1  VAL   5          1HG1      VAL   5   9.713   7.327  -1.406
   36   2HG1  VAL   5          2HG1      VAL   5   8.580   8.132  -2.492
   37   3HG1  VAL   5          3HG1      VAL   5   9.297   6.588  -2.953
   38   1HG2  VAL   5          1HG2      VAL   5   8.812   4.629  -1.011
   39   2HG2  VAL   5          2HG2      VAL   5   8.085   4.665  -2.617
   40   3HG2  VAL   5          3HG2      VAL   5   7.068   4.434  -1.194
   41    H    GLN   6           H        GLN   6   5.412   7.833   0.757
   42    HA   GLN   6           HA       GLN   6   4.523   5.346   2.004
   43   1HB   GLN   6          2HB       GLN   6   3.356   8.117   2.235
   44   2HB   GLN   6          1HB       GLN   6   2.902   6.712   3.191
   45   1HG   GLN   6          2HG       GLN   6   4.321   7.664   4.663
   46   2HG   GLN   6          1HG       GLN   6   5.500   6.735   3.738
   47   1HE2  GLN   6          1HE2      GLN   6   3.810   9.792   3.111
   48   2HE2  GLN   6          2HE2      GLN   6   5.239  10.728   2.859
   49    H    PHE   7           H        PHE   7   2.758   4.243   1.445
   50    HA   PHE   7           HA       PHE   7   1.429   5.035  -1.036
   51   1HB   PHE   7          2HB       PHE   7   2.352   2.848  -1.205
   52   2HB   PHE   7          1HB       PHE   7   1.746   2.389   0.382
   53    HD1  PHE   7           1HD      PHE   7  -0.708   2.081   0.701
   54    HD2  PHE   7           2HD      PHE   7   1.056   2.537  -3.141
   55    HE1  PHE   7           1HE      PHE   7  -2.723   1.132  -0.328
   56    HE2  PHE   7           2HE      PHE   7  -0.958   1.588  -4.182
   57    HZ   PHE   7           HZ       PHE   7  -2.855   0.881  -2.777
   58    H    LYS   8           H        LYS   8  -0.729   5.390  -1.140
   59    HA   LYS   8           HA       LYS   8  -2.283   5.087   1.339
   60   1HB   LYS   8          2HB       LYS   8  -3.283   7.219   1.064
   61   2HB   LYS   8          1HB       LYS   8  -1.558   7.466   0.843
   62   1HG   LYS   8          2HG       LYS   8  -2.724   6.910  -1.693
   63   2HG   LYS   8          1HG       LYS   8  -3.661   8.173  -0.893
   64   1HD   LYS   8          2HD       LYS   8  -0.671   8.186  -1.301
   65   2HD   LYS   8          1HD       LYS   8  -1.842   9.110  -2.243
   66   1HE   LYS   8          2HE       LYS   8  -1.923   9.428   0.701
   67   2HE   LYS   8          1HE       LYS   8  -0.540  10.125  -0.142
   68   1HZ   LYS   8          1HZ       LYS   8  -2.076  11.830  -0.152
   69   2HZ   LYS   8          2HZ       LYS   8  -3.396  10.802  -0.401
   70   3HZ   LYS   8          3HZ       LYS   8  -2.329  11.129  -1.672
   71    H    LEU   9           H        LEU   9  -4.436   4.518   1.128
   72    HA   LEU   9           HA       LEU   9  -5.238   2.834  -0.886
   73   1HB   LEU   9          2HB       LEU   9  -6.329   3.212   1.344
   74   2HB   LEU   9          1HB       LEU   9  -7.065   4.656   0.685
   75    HG   LEU   9           HG       LEU   9  -8.659   2.830   0.737
   76   1HD1  LEU   9          1HD1      LEU   9  -9.607   3.294  -1.249
   77   2HD1  LEU   9          2HD1      LEU   9  -8.128   2.987  -2.159
   78   3HD1  LEU   9          3HD1      LEU   9  -8.333   4.509  -1.293
   79   1HD2  LEU   9          1HD2      LEU   9  -8.013   0.750   0.416
   80   2HD2  LEU   9          2HD2      LEU   9  -6.447   1.285  -0.205
   81   3HD2  LEU   9          3HD2      LEU   9  -7.820   1.115  -1.301
   82    H    SER  10           H        SER  10  -6.062   3.060  -2.918
   83    HA   SER  10           HA       SER  10  -6.774   5.774  -3.806
   84   1HB   SER  10          2HB       SER  10  -5.404   3.882  -5.684
   85   2HB   SER  10          1HB       SER  10  -5.463   5.644  -5.720
   86    HG   SER  10           HG       SER  10  -3.846   3.940  -4.189
   87    H    ASP  11           H        ASP  11  -7.947   5.728  -5.950
   88    HA   ASP  11           HA       ASP  11  -9.507   4.896  -7.422
   89   1HB   ASP  11          2HB       ASP  11  -8.526   2.519  -6.481
   90   2HB   ASP  11          1HB       ASP  11 -10.215   2.434  -5.989
   91    H    ILE  12           H        ILE  12  -9.904   4.931  -3.986
   92    HA   ILE  12           HA       ILE  12 -12.806   5.080  -4.203
   93    HB   ILE  12           HB       ILE  12 -10.914   4.837  -1.872
   94   1HG1  ILE  12          2HG1      ILE  12 -12.554   2.891  -1.437
   95   2HG1  ILE  12          1HG1      ILE  12 -13.099   3.171  -3.087
   96   1HG2  ILE  12          1HG2      ILE  12 -12.837   4.916  -0.344
   97   2HG2  ILE  12          2HG2      ILE  12 -13.871   5.403  -1.686
   98   3HG2  ILE  12          3HG2      ILE  12 -12.567   6.461  -1.150
   99   1HD1  ILE  12          1HD1      ILE  12 -10.663   1.897  -2.095
  100   2HD1  ILE  12          2HD1      ILE  12 -10.398   3.042  -3.410
  101   3HD1  ILE  12          3HD1      ILE  12 -11.514   1.694  -3.628
  102    H    GLY  13           H        GLY  13 -13.921   6.839  -2.970
  103   1HA   GLY  13          2HA       GLY  13 -12.515   9.396  -3.390
  104   2HA   GLY  13          1HA       GLY  13 -14.244   9.172  -3.608
  105    H    GLU  14           H        GLU  14 -13.515  11.226  -2.088
  106    HA   GLU  14           HA       GLU  14 -12.950  10.988   0.562
  107   1HB   GLU  14          2HB       GLU  14 -14.033  13.072   0.915
  108   2HB   GLU  14          1HB       GLU  14 -13.405  13.106  -0.727
  109   1HG   GLU  14          2HG       GLU  14 -15.812  12.252  -1.326
  110   2HG   GLU  14          1HG       GLU  14 -16.218  12.979   0.228
  111    H    GLY  15           H        GLY  15 -16.014  10.198  -0.994
  112   1HA   GLY  15          2HA       GLY  15 -16.795   8.673   1.327
  113   2HA   GLY  15          1HA       GLY  15 -17.782  10.101   1.068
  114    H    ILE  16           H        ILE  16 -16.481   7.379  -0.839
  115    HA   ILE  16           HA       ILE  16 -19.136   7.151  -2.099
  116    HB   ILE  16           HB       ILE  16 -18.153   6.434  -4.136
  117   1HG1  ILE  16          2HG1      ILE  16 -15.461   6.575  -4.122
  118   2HG1  ILE  16          1HG1      ILE  16 -15.719   6.028  -2.468
  119   1HG2  ILE  16          1HG2      ILE  16 -18.033   8.918  -3.398
  120   2HG2  ILE  16          2HG2      ILE  16 -17.205   8.402  -4.867
  121   3HG2  ILE  16          3HG2      ILE  16 -16.291   8.640  -3.378
  122   1HD1  ILE  16          1HD1      ILE  16 -16.349   4.650  -5.038
  123   2HD1  ILE  16          2HD1      ILE  16 -17.219   4.230  -3.563
  124   3HD1  ILE  16          3HD1      ILE  16 -15.465   4.058  -3.632
  125    H    ARG  17           H        ARG  17 -16.376   5.468  -0.784
  126    HA   ARG  17           HA       ARG  17 -17.457   3.428   0.528
  127   1HB   ARG  17          2HB       ARG  17 -18.722   2.575  -1.322
  128   2HB   ARG  17          1HB       ARG  17 -17.339   2.677  -2.402
  129   1HG   ARG  17          2HG       ARG  17 -16.248   0.936  -0.884
  130   2HG   ARG  17          1HG       ARG  17 -17.859   0.705  -0.203
  131   1HD   ARG  17          2HD       ARG  17 -17.043   0.351  -3.083
  132   2HD   ARG  17          1HD       ARG  17 -17.460  -0.925  -1.941
  133    HE   ARG  17           HE       ARG  17 -19.573   0.966  -2.261
  134   1HH1  ARG  17          1HH1      ARG  17 -18.052  -1.820  -3.692
  135   2HH1  ARG  17          2HH1      ARG  17 -19.478  -2.330  -4.532
  136   1HH2  ARG  17          1HH2      ARG  17 -21.457   0.306  -3.366
  137   2HH2  ARG  17          2HH2      ARG  17 -21.414  -1.120  -4.348
  138    H    GLU  18           H        GLU  18 -15.807   2.352   1.504
  139    HA   GLU  18           HA       GLU  18 -13.139   2.840   0.409
  140   1HB   GLU  18          2HB       GLU  18 -14.085   2.063   3.165
  141   2HB   GLU  18          1HB       GLU  18 -12.386   2.154   2.713
  142   1HG   GLU  18          2HG       GLU  18 -12.358   4.392   2.774
  143   2HG   GLU  18          1HG       GLU  18 -13.955   4.535   2.037
  144    H    VAL  19           H        VAL  19 -11.493   1.043   0.810
  145    HA   VAL  19           HA       VAL  19 -12.795  -1.541   0.199
  146    HB   VAL  19           HB       VAL  19 -11.724  -0.524  -1.785
  147   1HG1  VAL  19          1HG1      VAL  19  -9.342  -0.304  -1.941
  148   2HG1  VAL  19          2HG1      VAL  19  -9.128  -0.969  -0.322
  149   3HG1  VAL  19          3HG1      VAL  19  -9.895   0.605  -0.534
  150   1HG2  VAL  19          1HG2      VAL  19 -10.443  -3.063  -0.777
  151   2HG2  VAL  19          2HG2      VAL  19 -10.456  -2.523  -2.455
  152   3HG2  VAL  19          3HG2      VAL  19 -11.970  -2.934  -1.649
  153    H    THR  20           H        THR  20 -11.846  -3.433   0.887
  154    HA   THR  20           HA       THR  20 -10.071  -3.146   3.204
  155    HB   THR  20           HB       THR  20 -11.164  -5.813   2.562
  156    HG1  THR  20           1HG      THR  20 -13.241  -5.329   2.840
  157   1HG2  THR  20          1HG2      THR  20 -11.683  -5.746   5.004
  158   2HG2  THR  20          2HG2      THR  20 -11.010  -4.119   5.053
  159   3HG2  THR  20          3HG2      THR  20  -9.981  -5.483   4.624
  160    H    VAL  21           H        VAL  21  -8.275  -4.588   3.465
  161    HA   VAL  21           HA       VAL  21  -6.907  -5.084   0.968
  162    HB   VAL  21           HB       VAL  21  -5.991  -5.813   3.751
  163   1HG1  VAL  21          1HG1      VAL  21  -3.727  -5.576   2.611
  164   2HG1  VAL  21          2HG1      VAL  21  -4.611  -5.629   1.090
  165   3HG1  VAL  21          3HG1      VAL  21  -4.681  -6.999   2.196
  166   1HG2  VAL  21          1HG2      VAL  21  -4.560  -3.653   3.246
  167   2HG2  VAL  21          2HG2      VAL  21  -6.165  -3.542   3.969
  168   3HG2  VAL  21          3HG2      VAL  21  -5.953  -3.251   2.241
  169    H    LYS  22           H        LYS  22  -6.829  -6.941  -0.124
  170    HA   LYS  22           HA       LYS  22  -8.152  -9.274   1.020
  171   1HB   LYS  22          2HB       LYS  22  -8.721  -8.380  -1.272
  172   2HB   LYS  22          1HB       LYS  22  -7.133  -8.921  -1.800
  173   1HG   LYS  22          2HG       LYS  22  -8.300 -10.752  -2.402
  174   2HG   LYS  22          1HG       LYS  22  -8.018 -11.198  -0.718
  175   1HD   LYS  22          2HD       LYS  22 -10.210 -10.161  -0.146
  176   2HD   LYS  22          1HD       LYS  22 -10.491  -9.911  -1.870
  177   1HE   LYS  22          2HE       LYS  22  -9.885 -12.619  -0.712
  178   2HE   LYS  22          1HE       LYS  22 -11.527 -11.985  -0.812
  179   1HZ   LYS  22          1HZ       LYS  22 -11.521 -12.911  -2.828
  180   2HZ   LYS  22          2HZ       LYS  22  -9.836 -13.038  -2.892
  181   3HZ   LYS  22          3HZ       LYS  22 -10.589 -11.582  -3.308
  182    H    GLU  23           H        GLU  23  -4.989  -8.193   0.020
  183    HA   GLU  23           HA       GLU  23  -3.876 -10.694   1.058
  184   1HB   GLU  23          2HB       GLU  23  -4.061 -10.430  -1.593
  185   2HB   GLU  23          1HB       GLU  23  -2.554  -9.559  -1.348
  186   1HG   GLU  23          2HG       GLU  23  -1.630 -11.584  -1.571
  187   2HG   GLU  23          1HG       GLU  23  -2.085 -11.772   0.122
  188    H    TRP  24           H        TRP  24  -2.112 -10.450   2.284
  189    HA   TRP  24           HA       TRP  24  -0.682  -7.879   2.219
  190   1HB   TRP  24          2HB       TRP  24  -2.115  -9.141   4.468
  191   2HB   TRP  24          1HB       TRP  24  -0.490  -8.590   4.856
  192    HD1  TRP  24           HD       TRP  24  -3.811  -7.391   5.134
  193    HE1  TRP  24           1HE      TRP  24  -3.960  -4.824   5.095
  194    HE3  TRP  24           3HE      TRP  24   0.816  -6.354   3.249
  195    HZ2  TRP  24           2HZ      TRP  24  -2.327  -2.646   4.360
  196    HZ3  TRP  24           3HZ      TRP  24   1.448  -4.001   2.909
  197    HH2  TRP  24           HH       TRP  24  -0.093  -2.187   3.453
  198    H    TYR  25           H        TYR  25   1.368  -8.292   1.655
  199    HA   TYR  25           HA       TYR  25   2.577 -10.806   2.625
  200   1HB   TYR  25          2HB       TYR  25   2.239  -9.928  -0.023
  201   2HB   TYR  25          1HB       TYR  25   3.950  -9.718   0.333
  202    HD1  TYR  25           1HD      TYR  25   4.674 -11.931   1.987
  203    HD2  TYR  25           2HD      TYR  25   1.932 -11.846  -1.264
  204    HE1  TYR  25           1HE      TYR  25   5.046 -14.333   1.619
  205    HE2  TYR  25           2HE      TYR  25   2.296 -14.249  -1.641
  206    HH   TYR  25           HH       TYR  25   4.825 -15.935  -0.447
  207    H    VAL  26           H        VAL  26   2.566  -8.024   3.780
  208    HA   VAL  26           HA       VAL  26   5.438  -7.907   4.266
  209    HB   VAL  26           HB       VAL  26   5.623  -5.536   3.862
  210   1HG1  VAL  26          1HG1      VAL  26   5.197  -5.479   1.404
  211   2HG1  VAL  26          2HG1      VAL  26   4.393  -7.035   1.563
  212   3HG1  VAL  26          3HG1      VAL  26   6.105  -6.884   1.958
  213   1HG2  VAL  26          1HG2      VAL  26   2.812  -5.567   4.099
  214   2HG2  VAL  26          2HG2      VAL  26   3.176  -5.001   2.470
  215   3HG2  VAL  26          3HG2      VAL  26   3.860  -4.169   3.866
  216    H    LYS  27           H        LYS  27   5.995  -6.648   6.169
  217    HA   LYS  27           HA       LYS  27   3.752  -5.985   7.931
  218   1HB   LYS  27          2HB       LYS  27   6.066  -7.723   8.798
  219   2HB   LYS  27          1HB       LYS  27   4.704  -7.220   9.790
  220   1HG   LYS  27          2HG       LYS  27   3.470  -8.439   7.672
  221   2HG   LYS  27          1HG       LYS  27   4.928  -9.410   7.883
  222   1HD   LYS  27          2HD       LYS  27   4.120 -10.357   9.732
  223   2HD   LYS  27          1HD       LYS  27   3.703  -8.789  10.426
  224   1HE   LYS  27          2HE       LYS  27   1.778  -9.050   8.534
  225   2HE   LYS  27          1HE       LYS  27   2.030 -10.735   8.989
  226   1HZ   LYS  27          1HZ       LYS  27   1.851  -9.797  11.379
  227   2HZ   LYS  27          2HZ       LYS  27   0.440 -10.056  10.482
  228   3HZ   LYS  27          3HZ       LYS  27   1.070  -8.493  10.635
  229    H    GLU  28           H        GLU  28   4.369  -4.667   9.775
  230    HA   GLU  28           HA       GLU  28   5.961  -2.501   9.128
  231   1HB   GLU  28          2HB       GLU  28   5.587  -3.371  11.981
  232   2HB   GLU  28          1HB       GLU  28   5.658  -1.739  11.332
  233   1HG   GLU  28          2HG       GLU  28   3.489  -2.347  10.111
  234   2HG   GLU  28          1HG       GLU  28   3.404  -3.703  11.233
  235    H    GLY  29           H        GLY  29   8.084  -2.002   9.308
  236   1HA   GLY  29          2HA       GLY  29  10.317  -2.208   9.898
  237   2HA   GLY  29          1HA       GLY  29   9.864  -3.498  11.002
  238    H    ASP  30           H        ASP  30   8.539  -4.211   8.044
  239    HA   ASP  30           HA       ASP  30  10.709  -6.095   7.481
  240   1HB   ASP  30          2HB       ASP  30   8.254  -6.800   7.851
  241   2HB   ASP  30          1HB       ASP  30   7.975  -6.168   6.231
  242    H    THR  31           H        THR  31  11.391  -6.497   5.330
  243    HA   THR  31           HA       THR  31  11.276  -4.100   3.647
  244    HB   THR  31           HB       THR  31  13.135  -6.454   3.306
  245    HG1  THR  31           1HG      THR  31  13.354  -5.362   5.391
  246   1HG2  THR  31          1HG2      THR  31  14.399  -5.036   1.907
  247   2HG2  THR  31          2HG2      THR  31  13.532  -3.598   2.448
  248   3HG2  THR  31          3HG2      THR  31  12.722  -4.782   1.423
  249    H    VAL  32           H        VAL  32  10.824  -4.252   1.421
  250    HA   VAL  32           HA       VAL  32   9.181  -6.577   0.727
  251    HB   VAL  32           HB       VAL  32   8.801  -4.658  -1.270
  252   1HG1  VAL  32          1HG1      VAL  32   6.864  -4.691   0.917
  253   2HG1  VAL  32          2HG1      VAL  32   7.304  -6.274   0.283
  254   3HG1  VAL  32          3HG1      VAL  32   6.649  -5.041  -0.796
  255   1HG2  VAL  32          1HG2      VAL  32   8.881  -3.350   1.445
  256   2HG2  VAL  32          2HG2      VAL  32   8.014  -2.686   0.061
  257   3HG2  VAL  32          3HG2      VAL  32   9.766  -2.876  -0.007
  258    H    SER  33           H        SER  33   9.197  -7.330  -1.486
  259    HA   SER  33           HA       SER  33  11.689  -6.855  -2.953
  260   1HB   SER  33          2HB       SER  33  10.770  -9.418  -1.755
  261   2HB   SER  33          1HB       SER  33  11.453  -9.499  -3.379
  262    HG   SER  33           HG       SER  33  12.774  -8.116  -1.306
  263    H    GLN  34           H        GLN  34  11.574  -7.679  -5.204
  264    HA   GLN  34           HA       GLN  34   9.332  -6.765  -6.548
  265   1HB   GLN  34          2HB       GLN  34  11.740  -7.405  -7.385
  266   2HB   GLN  34          1HB       GLN  34  10.984  -8.948  -7.754
  267   1HG   GLN  34          2HG       GLN  34   9.201  -7.419  -8.933
  268   2HG   GLN  34          1HG       GLN  34  10.543  -6.276  -8.975
  269   1HE2  GLN  34          1HE2      GLN  34   9.430  -9.425 -10.009
  270   2HE2  GLN  34          2HE2      GLN  34  10.558  -9.615 -11.304
  271    H    PHE  35           H        PHE  35   9.849  -9.816  -5.020
  272    HA   PHE  35           HA       PHE  35   7.537 -10.995  -6.381
  273   1HB   PHE  35          2HB       PHE  35   9.966 -12.079  -5.660
  274   2HB   PHE  35          1HB       PHE  35   8.892 -12.655  -4.390
  275    HD1  PHE  35           1HD      PHE  35   7.030 -14.134  -4.912
  276    HD2  PHE  35           2HD      PHE  35   9.722 -12.813  -7.932
  277    HE1  PHE  35           1HE      PHE  35   6.205 -15.900  -6.415
  278    HE2  PHE  35           2HE      PHE  35   8.901 -14.576  -9.440
  279    HZ   PHE  35           HZ       PHE  35   7.140 -16.122  -8.682
  280    H    ASP  36           H        ASP  36   8.421  -9.506  -3.422
  281    HA   ASP  36           HA       ASP  36   6.107 -10.658  -2.038
  282   1HB   ASP  36          2HB       ASP  36   8.651  -9.401  -1.152
  283   2HB   ASP  36          1HB       ASP  36   7.238  -9.161  -0.130
  284    H    SER  37           H        SER  37   4.440  -9.518  -3.026
  285    HA   SER  37           HA       SER  37   4.361  -6.744  -3.439
  286   1HB   SER  37          2HB       SER  37   1.780  -7.194  -3.256
  287   2HB   SER  37          1HB       SER  37   2.697  -7.887  -4.593
  288    HG   SER  37           HG       SER  37   1.237  -9.172  -2.841
  289    H    ILE  38           H        ILE  38   3.017  -5.149  -2.281
  290    HA   ILE  38           HA       ILE  38   3.422  -5.436   0.593
  291    HB   ILE  38           HB       ILE  38   2.626  -3.017  -1.032
  292   1HG1  ILE  38          2HG1      ILE  38   5.210  -3.946   0.212
  293   2HG1  ILE  38          1HG1      ILE  38   4.896  -3.579  -1.480
  294   1HG2  ILE  38          1HG2      ILE  38   2.889  -1.713   0.980
  295   2HG2  ILE  38          2HG2      ILE  38   3.350  -3.146   1.899
  296   3HG2  ILE  38          3HG2      ILE  38   1.707  -2.987   1.276
  297   1HD1  ILE  38          1HD1      ILE  38   5.853  -1.622  -1.042
  298   2HD1  ILE  38          2HD1      ILE  38   5.695  -1.833   0.702
  299   3HD1  ILE  38          3HD1      ILE  38   4.340  -1.203  -0.236
  300    H    CYS  39           H        CYS  39   0.813  -3.650  -0.997
  301    HA   CYS  39           HA       CYS  39  -1.098  -5.183   0.635
  302   1HB   CYS  39          2HB       CYS  39  -2.417  -3.215   0.905
  303   2HB   CYS  39          1HB       CYS  39  -0.755  -2.765   1.266
  304    HG   CYS  39           HG       CYS  39  -0.315  -1.234  -0.883
  305    H    GLU  40           H        GLU  40  -3.059  -5.766  -0.249
  306    HA   GLU  40           HA       GLU  40  -3.486  -5.234  -3.102
  307   1HB   GLU  40          2HB       GLU  40  -2.418  -7.578  -2.417
  308   2HB   GLU  40          1HB       GLU  40  -4.100  -7.970  -2.088
  309   1HG   GLU  40          2HG       GLU  40  -4.153  -6.754  -4.578
  310   2HG   GLU  40          1HG       GLU  40  -2.706  -7.760  -4.607
  311    H    VAL  41           H        VAL  41  -5.555  -4.692  -3.547
  312    HA   VAL  41           HA       VAL  41  -7.602  -5.374  -1.542
  313    HB   VAL  41           HB       VAL  41  -8.648  -3.196  -1.842
  314   1HG1  VAL  41          1HG1      VAL  41  -6.143  -2.035  -1.196
  315   2HG1  VAL  41          2HG1      VAL  41  -6.152  -3.685  -0.573
  316   3HG1  VAL  41          3HG1      VAL  41  -7.424  -2.558  -0.103
  317   1HG2  VAL  41          1HG2      VAL  41  -7.080  -3.079  -4.159
  318   2HG2  VAL  41          2HG2      VAL  41  -6.479  -1.798  -3.107
  319   3HG2  VAL  41          3HG2      VAL  41  -8.186  -1.849  -3.548
  320    H    GLN  42           H        GLN  42  -9.760  -5.514  -2.302
  321    HA   GLN  42           HA       GLN  42 -10.113  -5.636  -5.208
  322   1HB   GLN  42          2HB       GLN  42 -10.728  -7.870  -3.271
  323   2HB   GLN  42          1HB       GLN  42 -11.371  -7.803  -4.906
  324   1HG   GLN  42          2HG       GLN  42  -8.532  -7.434  -4.964
  325   2HG   GLN  42          1HG       GLN  42  -8.934  -8.889  -4.054
  326   1HE2  GLN  42          1HE2      GLN  42  -7.606  -9.459  -6.174
  327   2HE2  GLN  42          2HE2      GLN  42  -8.591 -10.017  -7.479
  328    H    SER  43           H        SER  43 -11.854  -4.517  -5.763
  329    HA   SER  43           HA       SER  43 -14.094  -4.352  -3.857
  330   1HB   SER  43          2HB       SER  43 -14.481  -2.050  -4.539
  331   2HB   SER  43          1HB       SER  43 -12.815  -2.221  -3.985
  332    HG   SER  43           HG       SER  43 -13.751  -1.483  -6.416
  333    H    ASP  44           H        ASP  44 -16.204  -4.096  -4.792
  334    HA   ASP  44           HA       ASP  44 -16.862  -5.822  -6.804
  335   1HB   ASP  44          2HB       ASP  44 -18.278  -4.163  -5.165
  336   2HB   ASP  44          1HB       ASP  44 -18.575  -3.426  -6.737
  337    H    LYS  45           H        LYS  45 -16.220  -2.349  -7.139
  338    HA   LYS  45           HA       LYS  45 -16.771  -2.128  -9.874
  339   1HB   LYS  45          2HB       LYS  45 -16.534  -0.146  -8.542
  340   2HB   LYS  45          1HB       LYS  45 -14.890  -0.575  -8.093
  341   1HG   LYS  45          2HG       LYS  45 -14.023   0.067 -10.115
  342   2HG   LYS  45          1HG       LYS  45 -15.543  -0.194 -10.972
  343   1HD   LYS  45          2HD       LYS  45 -15.883   2.004 -10.847
  344   2HD   LYS  45          1HD       LYS  45 -16.108   1.799  -9.109
  345   1HE   LYS  45          2HE       LYS  45 -14.461   3.515  -9.506
  346   2HE   LYS  45          1HE       LYS  45 -13.678   2.106  -8.794
  347   1HZ   LYS  45          1HZ       LYS  45 -13.719   2.112 -11.678
  348   2HZ   LYS  45          2HZ       LYS  45 -12.447   1.780 -10.615
  349   3HZ   LYS  45          3HZ       LYS  45 -12.828   3.382 -11.002
  350    H    ALA  46           H        ALA  46 -13.511  -2.139  -8.430
  351    HA   ALA  46           HA       ALA  46 -12.596  -4.021 -10.451
  352   1HB   ALA  46          1HB       ALA  46 -11.010  -2.663 -11.465
  353   2HB   ALA  46          2HB       ALA  46 -11.059  -1.468 -10.169
  354   3HB   ALA  46          3HB       ALA  46 -12.402  -1.592 -11.305
  355    H    SER  47           H        SER  47 -10.524  -4.942  -9.973
  356    HA   SER  47           HA       SER  47  -9.899  -4.820  -7.111
  357   1HB   SER  47          2HB       SER  47  -8.473  -6.921  -7.861
  358   2HB   SER  47          1HB       SER  47 -10.210  -7.057  -7.591
  359    HG   SER  47           HG       SER  47  -8.860  -7.552  -9.815
  360    H    VAL  48           H        VAL  48  -8.063  -3.954  -6.382
  361    HA   VAL  48           HA       VAL  48  -6.005  -3.235  -8.365
  362    HB   VAL  48           HB       VAL  48  -6.246  -1.887  -5.696
  363   1HG1  VAL  48          1HG1      VAL  48  -4.233  -1.496  -6.996
  364   2HG1  VAL  48          2HG1      VAL  48  -5.205  -0.028  -6.908
  365   3HG1  VAL  48          3HG1      VAL  48  -5.204  -0.998  -8.382
  366   1HG2  VAL  48          1HG2      VAL  48  -7.939  -1.427  -8.123
  367   2HG2  VAL  48          2HG2      VAL  48  -7.535  -0.092  -7.044
  368   3HG2  VAL  48          3HG2      VAL  48  -8.414  -1.490  -6.425
  369    H    THR  49           H        THR  49  -3.939  -3.833  -8.057
  370    HA   THR  49           HA       THR  49  -3.237  -5.172  -5.528
  371    HB   THR  49           HB       THR  49  -1.797  -6.727  -6.854
  372    HG1  THR  49           1HG      THR  49  -1.537  -6.165  -8.878
  373   1HG2  THR  49          1HG2      THR  49  -3.511  -8.119  -6.556
  374   2HG2  THR  49          2HG2      THR  49  -4.207  -7.557  -8.075
  375   3HG2  THR  49          3HG2      THR  49  -4.642  -6.766  -6.560
  376    H    ILE  50           H        ILE  50  -1.397  -4.460  -4.610
  377    HA   ILE  50           HA       ILE  50   0.241  -2.584  -6.169
  378    HB   ILE  50           HB       ILE  50   0.144  -2.926  -3.172
  379   1HG1  ILE  50          2HG1      ILE  50  -1.991  -2.100  -4.030
  380   2HG1  ILE  50          1HG1      ILE  50  -1.134  -0.818  -3.181
  381   1HG2  ILE  50          1HG2      ILE  50   1.596  -1.058  -5.006
  382   2HG2  ILE  50          2HG2      ILE  50   2.215  -1.985  -3.640
  383   3HG2  ILE  50          3HG2      ILE  50   1.196  -0.574  -3.358
  384   1HD1  ILE  50          1HD1      ILE  50  -0.315  -0.063  -5.455
  385   2HD1  ILE  50          2HD1      ILE  50  -2.027   0.176  -5.104
  386   3HD1  ILE  50          3HD1      ILE  50  -1.515  -1.162  -6.134
  387    H    THR  51           H        THR  51   1.886  -3.607  -7.104
  388    HA   THR  51           HA       THR  51   3.233  -5.816  -5.797
  389    HB   THR  51           HB       THR  51   4.532  -6.042  -7.811
  390    HG1  THR  51           1HG      THR  51   4.174  -4.446  -9.529
  391   1HG2  THR  51          1HG2      THR  51   2.123  -5.392  -9.271
  392   2HG2  THR  51          2HG2      THR  51   1.749  -6.200  -7.749
  393   3HG2  THR  51          3HG2      THR  51   2.828  -6.968  -8.913
  394    H    SER  52           H        SER  52   5.799  -5.646  -6.187
  395    HA   SER  52           HA       SER  52   6.581  -3.320  -4.610
  396   1HB   SER  52          2HB       SER  52   8.234  -5.761  -5.290
  397   2HB   SER  52          1HB       SER  52   8.598  -4.537  -4.073
  398    HG   SER  52           HG       SER  52   7.674  -6.193  -2.976
  399    H    ARG  53           H        ARG  53   8.079  -5.158  -7.284
  400    HA   ARG  53           HA       ARG  53   9.078  -4.464  -9.209
  401   1HB   ARG  53          2HB       ARG  53   8.429  -2.525 -10.203
  402   2HB   ARG  53          1HB       ARG  53   7.223  -2.562  -8.936
  403   1HG   ARG  53          2HG       ARG  53   7.855  -0.483  -8.491
  404   2HG   ARG  53          1HG       ARG  53   9.284  -1.193  -7.746
  405   1HD   ARG  53          2HD       ARG  53   8.990   0.270 -10.291
  406   2HD   ARG  53          1HD       ARG  53  10.331   0.225  -9.159
  407    HE   ARG  53           HE       ARG  53  11.153  -1.703 -10.220
  408   1HH1  ARG  53          1HH1      ARG  53   8.240  -0.544 -11.792
  409   2HH1  ARG  53          2HH1      ARG  53   8.573  -1.378 -13.268
  410   1HH2  ARG  53          1HH2      ARG  53  11.561  -2.797 -12.164
  411   2HH2  ARG  53          2HH2      ARG  53  10.444  -2.653 -13.480
  412    H    TYR  54           H        TYR  54  10.018  -3.790  -6.141
  413    HA   TYR  54           HA       TYR  54  12.749  -3.730  -6.699
  414   1HB   TYR  54          2HB       TYR  54  11.440  -1.134  -6.676
  415   2HB   TYR  54          1HB       TYR  54  12.661  -1.248  -5.412
  416    HD1  TYR  54           1HD      TYR  54  12.083  -0.575  -8.835
  417    HD2  TYR  54           2HD      TYR  54  14.988  -2.159  -6.162
  418    HE1  TYR  54           1HE      TYR  54  13.837  -0.165 -10.508
  419    HE2  TYR  54           2HE      TYR  54  16.751  -1.753  -7.827
  420    HH   TYR  54           HH       TYR  54  16.516  -1.502 -10.727
  421    H    ASP  55           H        ASP  55  13.977  -3.143  -4.553
  422    HA   ASP  55           HA       ASP  55  12.402  -4.385  -2.426
  423   1HB   ASP  55          2HB       ASP  55  14.894  -4.294  -1.361
  424   2HB   ASP  55          1HB       ASP  55  14.279  -5.635  -2.318
  425    H    GLY  56           H        GLY  56  11.652  -3.276  -0.773
  426   1HA   GLY  56          2HA       GLY  56  12.990  -0.749  -0.067
  427   2HA   GLY  56          1HA       GLY  56  11.259  -0.761  -0.364
  428    H    VAL  57           H        VAL  57  12.279   0.165   2.002
  429    HA   VAL  57           HA       VAL  57  11.881  -2.010   3.940
  430    HB   VAL  57           HB       VAL  57  12.943   0.790   4.350
  431   1HG1  VAL  57          1HG1      VAL  57  11.829   0.112   6.362
  432   2HG1  VAL  57          2HG1      VAL  57  13.568  -0.046   6.616
  433   3HG1  VAL  57          3HG1      VAL  57  12.589  -1.479   6.304
  434   1HG2  VAL  57          1HG2      VAL  57  14.423  -1.819   4.587
  435   2HG2  VAL  57          2HG2      VAL  57  15.089  -0.186   4.568
  436   3HG2  VAL  57          3HG2      VAL  57  14.381  -0.866   3.103
  437    H    ILE  58           H        ILE  58   9.936  -2.276   4.795
  438    HA   ILE  58           HA       ILE  58   8.054  -0.021   4.881
  439    HB   ILE  58           HB       ILE  58   7.468  -2.934   5.431
  440   1HG1  ILE  58          2HG1      ILE  58   6.984  -1.411   2.871
  441   2HG1  ILE  58          1HG1      ILE  58   8.359  -2.484   3.119
  442   1HG2  ILE  58          1HG2      ILE  58   5.637  -1.887   6.277
  443   2HG2  ILE  58          2HG2      ILE  58   5.153  -1.932   4.580
  444   3HG2  ILE  58          3HG2      ILE  58   5.848  -0.460   5.262
  445   1HD1  ILE  58          1HD1      ILE  58   6.086  -3.263   1.980
  446   2HD1  ILE  58          2HD1      ILE  58   5.690  -3.604   3.664
  447   3HD1  ILE  58          3HD1      ILE  58   7.107  -4.348   2.925
  448    H    LYS  59           H        LYS  59   7.847   1.052   6.725
  449    HA   LYS  59           HA       LYS  59   8.766  -0.237   9.196
  450   1HB   LYS  59          2HB       LYS  59  10.001   1.715   8.717
  451   2HB   LYS  59          1HB       LYS  59   8.551   2.644   8.378
  452   1HG   LYS  59          2HG       LYS  59   8.082   2.982  10.592
  453   2HG   LYS  59          1HG       LYS  59   8.894   1.500  11.102
  454   1HD   LYS  59          2HD       LYS  59  10.725   3.387   9.868
  455   2HD   LYS  59          1HD       LYS  59   9.902   4.077  11.269
  456   1HE   LYS  59          2HE       LYS  59  11.987   2.998  11.924
  457   2HE   LYS  59          1HE       LYS  59  10.598   2.168  12.623
  458   1HZ   LYS  59          1HZ       LYS  59  12.393   1.282  10.468
  459   2HZ   LYS  59          2HZ       LYS  59  10.812   0.684  10.537
  460   3HZ   LYS  59          3HZ       LYS  59  11.867   0.438  11.836
  461    H    LYS  60           H        LYS  60   5.838   1.106   7.800
  462    HA   LYS  60           HA       LYS  60   4.490   0.441  10.320
  463   1HB   LYS  60          2HB       LYS  60   3.541   2.915   8.988
  464   2HB   LYS  60          1HB       LYS  60   3.541   2.481  10.691
  465   1HG   LYS  60          2HG       LYS  60   5.089   4.170  10.638
  466   2HG   LYS  60          1HG       LYS  60   6.120   2.746  10.478
  467   1HD   LYS  60          2HD       LYS  60   6.315   3.061   8.116
  468   2HD   LYS  60          1HD       LYS  60   5.078   4.319   8.131
  469   1HE   LYS  60          2HE       LYS  60   7.842   4.450   9.326
  470   2HE   LYS  60          1HE       LYS  60   7.208   5.405   7.990
  471   1HZ   LYS  60          1HZ       LYS  60   6.595   5.627  10.863
  472   2HZ   LYS  60          2HZ       LYS  60   5.515   6.222   9.706
  473   3HZ   LYS  60          3HZ       LYS  60   7.090   6.833   9.785
  474    H    LEU  61           H        LEU  61   2.646  -0.600  10.092
  475    HA   LEU  61           HA       LEU  61   1.115  -0.353   7.608
  476   1HB   LEU  61          2HB       LEU  61   2.149  -2.904   8.821
  477   2HB   LEU  61          1HB       LEU  61   0.714  -2.891   7.812
  478    HG   LEU  61           HG       LEU  61   3.206  -1.651   6.736
  479   1HD1  LEU  61          1HD1      LEU  61   4.300  -3.590   6.300
  480   2HD1  LEU  61          2HD1      LEU  61   2.823  -4.553   6.281
  481   3HD1  LEU  61          3HD1      LEU  61   3.531  -4.055   7.817
  482   1HD2  LEU  61          1HD2      LEU  61   2.070  -3.110   4.767
  483   2HD2  LEU  61          2HD2      LEU  61   1.663  -1.430   5.119
  484   3HD2  LEU  61          3HD2      LEU  61   0.657  -2.733   5.753
  485    H    TYR  62           H        TYR  62  -0.704   0.534   8.370
  486    HA   TYR  62           HA       TYR  62  -1.746  -0.279  10.965
  487   1HB   TYR  62          2HB       TYR  62  -1.540   2.130  10.315
  488   2HB   TYR  62          1HB       TYR  62  -2.791   1.858   9.106
  489    HD1  TYR  62           1HD      TYR  62  -2.080   2.058  12.709
  490    HD2  TYR  62           2HD      TYR  62  -5.104   1.635   9.745
  491    HE1  TYR  62           1HE      TYR  62  -3.801   2.505  14.408
  492    HE2  TYR  62           2HE      TYR  62  -6.832   2.083  11.436
  493    HH   TYR  62           HH       TYR  62  -6.120   2.186  14.810
  494    H    TYR  63           H        TYR  63  -2.742  -0.316   7.562
  495    HA   TYR  63           HA       TYR  63  -5.278  -1.547   8.273
  496   1HB   TYR  63          2HB       TYR  63  -4.117  -0.751   5.599
  497   2HB   TYR  63          1HB       TYR  63  -5.714  -1.462   5.816
  498    HD1  TYR  63           1HD      TYR  63  -4.364   1.467   4.998
  499    HD2  TYR  63           2HD      TYR  63  -6.826  -0.109   8.090
  500    HE1  TYR  63           1HE      TYR  63  -5.304   3.707   5.384
  501    HE2  TYR  63           2HE      TYR  63  -7.772   2.127   8.485
  502    HH   TYR  63           HH       TYR  63  -7.997   4.222   7.562
  503    H    ASN  64           H        ASN  64  -5.801  -3.636   8.060
  504    HA   ASN  64           HA       ASN  64  -3.753  -5.457   6.996
  505   1HB   ASN  64          2HB       ASN  64  -5.866  -6.061   9.070
  506   2HB   ASN  64          1HB       ASN  64  -4.614  -7.167   8.503
  507   1HD2  ASN  64          1HD2      ASN  64  -2.425  -6.690   9.013
  508   2HD2  ASN  64          2HD2      ASN  64  -2.034  -5.743  10.405
  509    H    LEU  65           H        LEU  65  -5.096  -7.736   6.809
  510    HA   LEU  65           HA       LEU  65  -6.394  -7.615   4.371
  511   1HB   LEU  65          2HB       LEU  65  -6.197  -9.680   6.530
  512   2HB   LEU  65          1HB       LEU  65  -7.108  -9.983   5.073
  513    HG   LEU  65           HG       LEU  65  -4.530  -9.004   4.340
  514   1HD1  LEU  65          1HD1      LEU  65  -3.200 -10.924   5.234
  515   2HD1  LEU  65          2HD1      LEU  65  -4.537 -11.256   6.336
  516   3HD1  LEU  65          3HD1      LEU  65  -3.669  -9.724   6.439
  517   1HD2  LEU  65          1HD2      LEU  65  -4.835 -10.525   2.746
  518   2HD2  LEU  65          2HD2      LEU  65  -6.391 -10.878   3.496
  519   3HD2  LEU  65          3HD2      LEU  65  -4.971 -11.832   3.923
  520    H    ASP  66           H        ASP  66  -7.657  -7.033   7.512
  521    HA   ASP  66           HA       ASP  66 -10.402  -7.468   6.551
  522   1HB   ASP  66          2HB       ASP  66  -9.168  -7.470   9.281
  523   2HB   ASP  66          1HB       ASP  66 -10.891  -7.157   9.096
  524    H    ASP  67           H        ASP  67  -8.194  -5.021   7.640
  525    HA   ASP  67           HA       ASP  67 -10.185  -3.060   8.233
  526   1HB   ASP  67          2HB       ASP  67  -7.291  -2.530   7.593
  527   2HB   ASP  67          1HB       ASP  67  -8.381  -1.536   8.550
  528    H    ILE  68           H        ILE  68 -10.625  -1.141   7.143
  529    HA   ILE  68           HA       ILE  68 -10.324  -1.279   4.210
  530    HB   ILE  68           HB       ILE  68 -12.328   0.541   5.421
  531   1HG1  ILE  68          2HG1      ILE  68 -12.551  -1.666   6.655
  532   2HG1  ILE  68          1HG1      ILE  68 -13.989  -1.117   5.800
  533   1HG2  ILE  68          1HG2      ILE  68 -13.464   0.242   3.408
  534   2HG2  ILE  68          2HG2      ILE  68 -12.681  -1.302   3.084
  535   3HG2  ILE  68          3HG2      ILE  68 -11.762   0.197   2.942
  536   1HD1  ILE  68          1HD1      ILE  68 -12.232  -2.849   4.236
  537   2HD1  ILE  68          2HD1      ILE  68 -13.986  -2.877   4.425
  538   3HD1  ILE  68          3HD1      ILE  68 -12.954  -3.612   5.653
  539    H    ALA  69           H        ALA  69  -9.662   0.496   3.099
  540    HA   ALA  69           HA       ALA  69  -8.680   2.736   4.736
  541   1HB   ALA  69          1HB       ALA  69  -6.915   1.289   3.723
  542   2HB   ALA  69          2HB       ALA  69  -6.832   2.985   3.246
  543   3HB   ALA  69          3HB       ALA  69  -7.497   1.788   2.135
  544    H    TYR  70           H        TYR  70  -8.634   4.816   3.718
  545    HA   TYR  70           HA       TYR  70 -10.548   5.143   1.508
  546   1HB   TYR  70          2HB       TYR  70 -11.635   6.944   2.579
  547   2HB   TYR  70          1HB       TYR  70 -11.455   5.733   3.842
  548    HD1  TYR  70           1HD      TYR  70 -10.535   9.061   2.723
  549    HD2  TYR  70           2HD      TYR  70  -9.763   6.051   5.630
  550    HE1  TYR  70           1HE      TYR  70  -9.409  10.726   4.139
  551    HE2  TYR  70           2HE      TYR  70  -8.636   7.709   7.054
  552    HH   TYR  70           HH       TYR  70  -8.036  10.988   5.940
  553    H    VAL  71           H        VAL  71 -10.041   6.731   0.002
  554    HA   VAL  71           HA       VAL  71  -7.317   7.401  -0.283
  555    HB   VAL  71           HB       VAL  71  -9.689   8.658  -1.676
  556   1HG1  VAL  71          1HG1      VAL  71  -7.584   9.952  -1.833
  557   2HG1  VAL  71          2HG1      VAL  71  -8.131   9.328  -3.389
  558   3HG1  VAL  71          3HG1      VAL  71  -6.803   8.538  -2.540
  559   1HG2  VAL  71          1HG2      VAL  71  -8.910   7.044  -3.525
  560   2HG2  VAL  71          2HG2      VAL  71  -9.846   6.395  -2.180
  561   3HG2  VAL  71          3HG2      VAL  71  -8.099   6.180  -2.221
  562    H    GLY  72           H        GLY  72  -6.171   9.249   0.171
  563   1HA   GLY  72          2HA       GLY  72  -6.318  11.710   0.496
  564   2HA   GLY  72          1HA       GLY  72  -7.661  11.380   1.574
  565    H    LYS  73           H        LYS  73  -5.477   8.966   2.145
  566    HA   LYS  73           HA       LYS  73  -3.677  10.468   3.826
  567   1HB   LYS  73          2HB       LYS  73  -5.980  10.056   5.028
  568   2HB   LYS  73          1HB       LYS  73  -5.320   8.446   5.284
  569   1HG   LYS  73          2HG       LYS  73  -3.241  10.015   6.068
  570   2HG   LYS  73          1HG       LYS  73  -4.630  10.991   6.550
  571   1HD   LYS  73          2HD       LYS  73  -4.555   9.719   8.411
  572   2HD   LYS  73          1HD       LYS  73  -5.416   8.549   7.409
  573   1HE   LYS  73          2HE       LYS  73  -2.510   8.457   7.103
  574   2HE   LYS  73          1HE       LYS  73  -3.063   8.089   8.736
  575   1HZ   LYS  73          1HZ       LYS  73  -2.868   6.171   7.106
  576   2HZ   LYS  73          2HZ       LYS  73  -4.260   6.787   6.368
  577   3HZ   LYS  73          3HZ       LYS  73  -4.311   6.287   7.983
  578    HA   PRO  74           HA       PRO  74  -1.237   6.905   2.648
  579   1HB   PRO  74          2HB       PRO  74   0.649   7.803   4.716
  580   2HB   PRO  74          1HB       PRO  74   0.892   7.641   2.975
  581   1HG   PRO  74          2HG       PRO  74   0.728  10.043   4.173
  582   2HG   PRO  74          1HG       PRO  74   0.114   9.762   2.534
  583   1HD   PRO  74          2HD       PRO  74  -1.387   9.961   5.115
  584   2HD   PRO  74          1HD       PRO  74  -1.809  10.588   3.508
  585    H    LEU  75           H        LEU  75  -0.991   4.856   3.426
  586    HA   LEU  75           HA       LEU  75  -1.814   4.445   6.213
  587   1HB   LEU  75          2HB       LEU  75  -2.541   2.241   5.582
  588   2HB   LEU  75          1HB       LEU  75  -3.259   3.427   4.510
  589    HG   LEU  75           HG       LEU  75  -1.092   2.749   3.052
  590   1HD1  LEU  75          1HD1      LEU  75  -0.680   0.398   3.183
  591   2HD1  LEU  75          2HD1      LEU  75  -1.913   0.198   4.428
  592   3HD1  LEU  75          3HD1      LEU  75  -0.432   1.084   4.789
  593   1HD2  LEU  75          1HD2      LEU  75  -2.579   1.642   1.638
  594   2HD2  LEU  75          2HD2      LEU  75  -3.623   2.730   2.554
  595   3HD2  LEU  75          3HD2      LEU  75  -3.541   1.020   2.979
  596    H    VAL  76           H        VAL  76   0.699   3.689   3.859
  597    HA   VAL  76           HA       VAL  76   2.366   2.773   6.096
  598    HB   VAL  76           HB       VAL  76   1.588   0.707   5.118
  599   1HG1  VAL  76          1HG1      VAL  76   2.844   1.002   2.503
  600   2HG1  VAL  76          2HG1      VAL  76   1.486   2.101   2.752
  601   3HG1  VAL  76          3HG1      VAL  76   1.258   0.361   2.934
  602   1HG2  VAL  76          1HG2      VAL  76   3.607  -0.288   5.202
  603   2HG2  VAL  76          2HG2      VAL  76   4.214   1.337   5.540
  604   3HG2  VAL  76          3HG2      VAL  76   4.257   0.699   3.892
  605    H    ASP  77           H        ASP  77   4.524   3.194   5.939
  606    HA   ASP  77           HA       ASP  77   5.363   4.835   3.652
  607   1HB   ASP  77          2HB       ASP  77   6.852   4.760   6.245
  608   2HB   ASP  77          1HB       ASP  77   6.784   6.046   5.048
  609    H    ILE  78           H        ILE  78   6.861   4.029   2.340
  610    HA   ILE  78           HA       ILE  78   8.601   1.883   3.341
  611    HB   ILE  78           HB       ILE  78   7.640   1.742   0.526
  612   1HG1  ILE  78          2HG1      ILE  78   5.857   0.083   1.618
  613   2HG1  ILE  78          1HG1      ILE  78   5.992   1.227   2.955
  614   1HG2  ILE  78          1HG2      ILE  78   8.701  -0.143   2.584
  615   2HG2  ILE  78          2HG2      ILE  78   9.262   0.157   0.939
  616   3HG2  ILE  78          3HG2      ILE  78   7.778  -0.757   1.212
  617   1HD1  ILE  78          1HD1      ILE  78   4.417   1.457   0.663
  618   2HD1  ILE  78          2HD1      ILE  78   5.712   2.645   0.487
  619   3HD1  ILE  78          3HD1      ILE  78   4.685   2.662   1.923
  620    H    GLU  79           H        GLU  79  10.674   1.764   2.378
  621    HA   GLU  79           HA       GLU  79  11.399   4.222   0.952
  622   1HB   GLU  79          2HB       GLU  79  12.631   2.806   3.034
  623   2HB   GLU  79          1HB       GLU  79  13.633   2.503   1.621
  624   1HG   GLU  79          2HG       GLU  79  14.086   4.784   1.317
  625   2HG   GLU  79          1HG       GLU  79  12.783   5.270   2.401
  626    H    THR  80           H        THR  80  11.380   4.095  -1.149
  627    HA   THR  80           HA       THR  80  12.622   1.823  -2.501
  628    HB   THR  80           HB       THR  80  10.694   1.999  -4.229
  629    HG1  THR  80           1HG      THR  80   9.230   2.791  -1.931
  630   1HG2  THR  80          1HG2      THR  80   9.688   0.754  -1.729
  631   2HG2  THR  80          2HG2      THR  80  11.245   0.196  -2.341
  632   3HG2  THR  80          3HG2      THR  80   9.808   0.085  -3.357
  633    H    GLU  81           H        GLU  81  13.218   2.309  -4.733
  634    HA   GLU  81           HA       GLU  81  14.401   4.818  -5.034
  635   1HB   GLU  81          2HB       GLU  81  14.480   2.433  -6.409
  636   2HB   GLU  81          1HB       GLU  81  13.712   3.512  -7.566
  637   1HG   GLU  81          2HG       GLU  81  15.705   5.098  -6.875
  638   2HG   GLU  81          1HG       GLU  81  16.461   3.562  -6.453
  639    H    ALA  82           H        ALA  82  13.914   6.551  -6.493
  640    HA   ALA  82           HA       ALA  82  11.572   7.823  -6.231
  641   1HB   ALA  82          1HB       ALA  82  12.582   9.327  -7.504
  642   2HB   ALA  82          2HB       ALA  82  12.411   8.297  -8.926
  643   3HB   ALA  82          3HB       ALA  82  13.821   8.130  -7.880
  644    H    LEU  83           H        LEU  83   9.556   7.128  -6.494
  645    HA   LEU  83           HA       LEU  83   8.870   5.778  -9.020
  646   1HB   LEU  83          2HB       LEU  83   8.451   4.924  -6.287
  647   2HB   LEU  83          1HB       LEU  83   6.928   5.051  -7.145
  648    HG   LEU  83           HG       LEU  83   8.321   3.686  -8.983
  649   1HD1  LEU  83          1HD1      LEU  83  10.365   3.621  -7.663
  650   2HD1  LEU  83          2HD1      LEU  83   9.705   2.000  -7.879
  651   3HD1  LEU  83          3HD1      LEU  83   9.499   2.838  -6.341
  652   1HD2  LEU  83          1HD2      LEU  83   6.727   2.769  -6.625
  653   2HD2  LEU  83          2HD2      LEU  83   7.413   1.594  -7.747
  654   3HD2  LEU  83          3HD2      LEU  83   6.281   2.813  -8.331
  655    H    LYS  84           H        LYS  84   7.012   6.386 -10.046
  656    HA   LYS  84           HA       LYS  84   6.103   9.004  -9.748
  657   1HB   LYS  84          2HB       LYS  84   4.347   8.395 -11.346
  658   2HB   LYS  84          1HB       LYS  84   5.910   7.761 -11.841
  659   1HG   LYS  84          2HG       LYS  84   4.567   5.955 -12.232
  660   2HG   LYS  84          1HG       LYS  84   5.104   5.614 -10.586
  661   1HD   LYS  84          2HD       LYS  84   2.982   5.555  -9.929
  662   2HD   LYS  84          1HD       LYS  84   2.809   7.250 -10.390
  663   1HE   LYS  84          2HE       LYS  84   2.405   6.409 -12.752
  664   2HE   LYS  84          1HE       LYS  84   2.250   4.802 -12.045
  665   1HZ   LYS  84          1HZ       LYS  84   0.179   6.351 -12.391
  666   2HZ   LYS  84          2HZ       LYS  84   0.657   6.969 -10.891
  667   3HZ   LYS  84          3HZ       LYS  84   0.289   5.326 -11.050
  668    H    ASP  85           H        ASP  85   5.152   6.124  -8.117
  669    HA   ASP  85           HA       ASP  85   2.578   6.312  -7.414
  670   1HB   ASP  85          2HB       ASP  85   5.006   5.492  -5.959
  671   2HB   ASP  85          1HB       ASP  85   3.608   5.836  -4.942
  672    H    LEU  86           H        LEU  86   5.122   8.257  -5.850
  673    HA   LEU  86           HA       LEU  86   2.994  10.060  -4.902
  674   1HB   LEU  86          2HB       LEU  86   5.131   8.747  -3.467
  675   2HB   LEU  86          1HB       LEU  86   5.237  10.488  -3.290
  676    HG   LEU  86           HG       LEU  86   2.945   8.697  -2.513
  677   1HD1  LEU  86          1HD1      LEU  86   4.885  10.443  -1.035
  678   2HD1  LEU  86          2HD1      LEU  86   4.539   8.729  -0.802
  679   3HD1  LEU  86          3HD1      LEU  86   3.351   9.943  -0.323
  680   1HD2  LEU  86          1HD2      LEU  86   2.976  11.556  -3.196
  681   2HD2  LEU  86          2HD2      LEU  86   2.197  11.149  -1.667
  682   3HD2  LEU  86          3HD2      LEU  86   1.638  10.407  -3.167
  683    H    GLU  87           H        GLU  87   6.113   9.784  -6.430
  684    HA   GLU  87           HA       GLU  87   5.893  12.491  -7.401
  685   1HB   GLU  87          2HB       GLU  87   8.474  11.828  -6.026
  686   2HB   GLU  87          1HB       GLU  87   7.818  13.403  -6.453
  687   1HG   GLU  87          2HG       GLU  87   6.160  13.218  -4.692
  688   2HG   GLU  87          1HG       GLU  87   6.745  11.604  -4.289
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1  19.816   9.180   3.236
    2   2H    MET   1          2HT       MET   1  20.040   8.665   1.640
    3   3H    MET   1          3HT       MET   1  18.903   7.892   2.625
    4    HA   MET   1           HA       MET   1  18.765  10.545   1.360
    5   1HB   MET   1          2HB       MET   1  17.249   7.984   1.372
    6   2HB   MET   1          1HB       MET   1  16.320   9.463   1.165
    7   1HG   MET   1          2HG       MET   1  18.652   8.632  -0.547
    8   2HG   MET   1          1HG       MET   1  16.953   8.416  -0.964
    9   1HE   MET   1          1HE       MET   1  16.825  10.191  -3.314
   10   2HE   MET   1          2HE       MET   1  15.856  11.445  -2.541
   11   3HE   MET   1          3HE       MET   1  15.646   9.757  -2.075
   12    H    GLY   2           H        GLY   2  16.689   8.642   3.548
   13   1HA   GLY   2          2HA       GLY   2  16.112   9.348   5.765
   14   2HA   GLY   2          1HA       GLY   2  16.476  11.001   5.294
   15    H    GLN   3           H        GLN   3  14.703   9.269   2.955
   16    HA   GLN   3           HA       GLN   3  12.172  10.379   3.961
   17   1HB   GLN   3          2HB       GLN   3  13.063  10.386   1.074
   18   2HB   GLN   3          1HB       GLN   3  11.555  11.034   1.704
   19   1HG   GLN   3          2HG       GLN   3  14.141  12.081   2.748
   20   2HG   GLN   3          1HG       GLN   3  13.564  12.609   1.168
   21   1HE2  GLN   3          1HE2      GLN   3  13.816  14.571   2.828
   22   2HE2  GLN   3          2HE2      GLN   3  12.312  15.082   3.508
   23    H    VAL   4           H        VAL   4  10.261   9.294   3.268
   24    HA   VAL   4           HA       VAL   4  10.678   6.630   2.109
   25    HB   VAL   4           HB       VAL   4   9.016   5.694   3.720
   26   1HG1  VAL   4          1HG1      VAL   4  11.755   6.512   4.327
   27   2HG1  VAL   4          2HG1      VAL   4  10.981   4.932   4.461
   28   3HG1  VAL   4          3HG1      VAL   4  10.783   6.124   5.747
   29   1HG2  VAL   4          1HG2      VAL   4   9.362   8.395   4.994
   30   2HG2  VAL   4          2HG2      VAL   4   8.788   6.985   5.888
   31   3HG2  VAL   4          3HG2      VAL   4   7.866   7.592   4.513
   32    H    VAL   5           H        VAL   5   8.966   5.789   0.954
   33    HA   VAL   5           HA       VAL   5   6.958   7.743   0.102
   34    HB   VAL   5           HB       VAL   5   6.580   6.311  -1.811
   35   1HG1  VAL   5          1HG1      VAL   5   8.835   7.742  -1.391
   36   2HG1  VAL   5          2HG1      VAL   5   8.426   6.966  -2.921
   37   3HG1  VAL   5          3HG1      VAL   5   9.516   6.165  -1.789
   38   1HG2  VAL   5          1HG2      VAL   5   7.839   4.219  -2.143
   39   2HG2  VAL   5          2HG2      VAL   5   6.792   4.132  -0.725
   40   3HG2  VAL   5          3HG2      VAL   5   8.527   4.388  -0.529
   41    H    GLN   6           H        GLN   6   4.876   7.537   0.670
   42    HA   GLN   6           HA       GLN   6   4.127   5.193   2.241
   43   1HB   GLN   6          2HB       GLN   6   3.285   8.031   2.133
   44   2HB   GLN   6          1HB       GLN   6   2.062   6.855   2.580
   45   1HG   GLN   6          2HG       GLN   6   3.130   6.270   4.521
   46   2HG   GLN   6          1HG       GLN   6   4.708   6.794   3.940
   47   1HE2  GLN   6          1HE2      GLN   6   4.294   9.329   3.145
   48   2HE2  GLN   6          2HE2      GLN   6   3.789  10.313   4.472
   49    H    PHE   7           H        PHE   7   2.353   3.947   1.832
   50    HA   PHE   7           HA       PHE   7   1.200   4.222  -0.848
   51   1HB   PHE   7          2HB       PHE   7   1.956   2.034  -0.755
   52   2HB   PHE   7          1HB       PHE   7   1.667   1.894   0.970
   53    HD1  PHE   7           1HD      PHE   7   0.295   1.397  -2.348
   54    HD2  PHE   7           2HD      PHE   7  -0.612   1.461   1.805
   55    HE1  PHE   7           1HE      PHE   7  -1.808   0.191  -2.788
   56    HE2  PHE   7           2HE      PHE   7  -2.710   0.254   1.375
   57    HZ   PHE   7           HZ       PHE   7  -3.310  -0.383  -0.926
   58    H    LYS   8           H        LYS   8  -0.889   4.644  -1.135
   59    HA   LYS   8           HA       LYS   8  -2.628   4.806   1.232
   60   1HB   LYS   8          2HB       LYS   8  -2.015   7.043   0.715
   61   2HB   LYS   8          1HB       LYS   8  -2.236   6.785  -1.007
   62   1HG   LYS   8          2HG       LYS   8  -4.704   6.407  -0.447
   63   2HG   LYS   8          1HG       LYS   8  -4.319   7.120   1.119
   64   1HD   LYS   8          2HD       LYS   8  -4.052   8.387  -1.602
   65   2HD   LYS   8          1HD       LYS   8  -5.129   8.868  -0.291
   66   1HE   LYS   8          2HE       LYS   8  -3.189   9.480   1.074
   67   2HE   LYS   8          1HE       LYS   8  -2.116   9.003  -0.243
   68   1HZ   LYS   8          1HZ       LYS   8  -3.899  10.757  -1.369
   69   2HZ   LYS   8          2HZ       LYS   8  -2.289  11.079  -0.963
   70   3HZ   LYS   8          3HZ       LYS   8  -3.526  11.445   0.131
   71    H    LEU   9           H        LEU   9  -4.763   4.274   0.960
   72    HA   LEU   9           HA       LEU   9  -5.456   2.303  -0.855
   73   1HB   LEU   9          2HB       LEU   9  -6.612   2.779   1.269
   74   2HB   LEU   9          1HB       LEU   9  -7.276   4.240   0.578
   75    HG   LEU   9           HG       LEU   9  -8.885   2.352   0.708
   76   1HD1  LEU   9          1HD1      LEU   9  -8.535   4.204  -1.290
   77   2HD1  LEU   9          2HD1      LEU   9  -9.971   3.217  -1.027
   78   3HD1  LEU   9          3HD1      LEU   9  -8.738   2.690  -2.172
   79   1HD2  LEU   9          1HD2      LEU   9  -8.310   0.323   0.082
   80   2HD2  LEU   9          2HD2      LEU   9  -6.756   0.916  -0.512
   81   3HD2  LEU   9          3HD2      LEU   9  -8.158   0.893  -1.583
   82    H    SER  10           H        SER  10  -5.711   2.405  -2.993
   83    HA   SER  10           HA       SER  10  -6.991   4.792  -4.139
   84   1HB   SER  10          2HB       SER  10  -5.457   4.841  -5.978
   85   2HB   SER  10          1HB       SER  10  -4.493   4.785  -4.502
   86    HG   SER  10           HG       SER  10  -4.552   2.392  -4.913
   87    H    ASP  11           H        ASP  11  -8.896   4.109  -4.855
   88    HA   ASP  11           HA       ASP  11  -9.163   2.346  -7.006
   89   1HB   ASP  11          2HB       ASP  11  -8.621   0.663  -5.218
   90   2HB   ASP  11          1HB       ASP  11 -10.116   1.128  -4.409
   91    H    ILE  12           H        ILE  12 -10.691   3.697  -4.134
   92    HA   ILE  12           HA       ILE  12 -13.112   4.185  -5.738
   93    HB   ILE  12           HB       ILE  12 -14.158   4.477  -3.351
   94   1HG1  ILE  12          2HG1      ILE  12 -11.875   4.127  -2.269
   95   2HG1  ILE  12          1HG1      ILE  12 -13.204   3.176  -1.616
   96   1HG2  ILE  12          1HG2      ILE  12 -14.767   2.073  -3.371
   97   2HG2  ILE  12          2HG2      ILE  12 -13.544   1.813  -4.615
   98   3HG2  ILE  12          3HG2      ILE  12 -14.928   2.855  -4.944
   99   1HD1  ILE  12          1HD1      ILE  12 -12.102   1.300  -2.010
  100   2HD1  ILE  12          2HD1      ILE  12 -10.723   2.260  -2.539
  101   3HD1  ILE  12          3HD1      ILE  12 -11.918   1.715  -3.713
  102    H    GLY  13           H        GLY  13 -14.428   6.070  -4.591
  103   1HA   GLY  13          2HA       GLY  13 -12.714   8.390  -4.822
  104   2HA   GLY  13          1HA       GLY  13 -14.463   8.392  -4.662
  105    H    GLU  14           H        GLU  14 -13.139  10.259  -3.293
  106    HA   GLU  14           HA       GLU  14 -12.630   9.312  -0.591
  107   1HB   GLU  14          2HB       GLU  14 -12.094  11.713  -0.146
  108   2HB   GLU  14          1HB       GLU  14 -11.115  10.982  -1.411
  109   1HG   GLU  14          2HG       GLU  14 -11.713  12.576  -2.815
  110   2HG   GLU  14          1HG       GLU  14 -13.407  12.127  -2.627
  111    H    GLY  15           H        GLY  15 -14.808   8.577  -0.177
  112   1HA   GLY  15          2HA       GLY  15 -16.338   9.995   1.491
  113   2HA   GLY  15          1HA       GLY  15 -16.908  10.587  -0.062
  114    H    ILE  16           H        ILE  16 -16.290   7.803  -1.163
  115    HA   ILE  16           HA       ILE  16 -18.906   6.694  -0.529
  116    HB   ILE  16           HB       ILE  16 -18.634   5.294  -2.457
  117   1HG1  ILE  16          2HG1      ILE  16 -16.095   6.206  -3.470
  118   2HG1  ILE  16          1HG1      ILE  16 -15.875   5.500  -1.871
  119   1HG2  ILE  16          1HG2      ILE  16 -18.372   6.949  -4.205
  120   2HG2  ILE  16          2HG2      ILE  16 -17.545   8.033  -3.086
  121   3HG2  ILE  16          3HG2      ILE  16 -19.248   7.642  -2.840
  122   1HD1  ILE  16          1HD1      ILE  16 -15.955   3.486  -2.762
  123   2HD1  ILE  16          2HD1      ILE  16 -16.203   4.194  -4.358
  124   3HD1  ILE  16          3HD1      ILE  16 -17.590   3.797  -3.344
  125    H    ARG  17           H        ARG  17 -18.552   4.022  -1.009
  126    HA   ARG  17           HA       ARG  17 -17.725   3.034   1.475
  127   1HB   ARG  17          2HB       ARG  17 -18.118   1.603  -1.159
  128   2HB   ARG  17          1HB       ARG  17 -17.860   0.786   0.376
  129   1HG   ARG  17          2HG       ARG  17 -19.961   1.179   1.094
  130   2HG   ARG  17          1HG       ARG  17 -20.048   2.761   0.317
  131   1HD   ARG  17          2HD       ARG  17 -20.025   1.279  -1.876
  132   2HD   ARG  17          1HD       ARG  17 -20.667   0.063  -0.773
  133    HE   ARG  17           HE       ARG  17 -22.039   2.353  -1.798
  134   1HH1  ARG  17          1HH1      ARG  17 -21.818   0.177   0.910
  135   2HH1  ARG  17          2HH1      ARG  17 -23.459   0.421   1.408
  136   1HH2  ARG  17          1HH2      ARG  17 -24.203   2.686  -1.151
  137   2HH2  ARG  17          2HH2      ARG  17 -24.816   1.847   0.235
  138    H    GLU  18           H        GLU  18 -15.941   1.699   2.039
  139    HA   GLU  18           HA       GLU  18 -13.507   2.405   0.571
  140   1HB   GLU  18          2HB       GLU  18 -14.043   1.511   3.390
  141   2HB   GLU  18          1HB       GLU  18 -12.422   1.479   2.716
  142   1HG   GLU  18          2HG       GLU  18 -12.200   3.592   3.317
  143   2HG   GLU  18          1HG       GLU  18 -13.417   4.012   2.110
  144    H    VAL  19           H        VAL  19 -11.717   0.611   0.774
  145    HA   VAL  19           HA       VAL  19 -12.989  -1.970   0.092
  146    HB   VAL  19           HB       VAL  19 -12.104  -0.816  -1.914
  147   1HG1  VAL  19          1HG1      VAL  19  -9.824  -0.384  -2.237
  148   2HG1  VAL  19          2HG1      VAL  19  -9.355  -1.338  -0.830
  149   3HG1  VAL  19          3HG1      VAL  19 -10.167   0.214  -0.613
  150   1HG2  VAL  19          1HG2      VAL  19 -11.177  -2.736  -2.881
  151   2HG2  VAL  19          2HG2      VAL  19 -12.195  -3.347  -1.577
  152   3HG2  VAL  19          3HG2      VAL  19 -10.447  -3.257  -1.362
  153    H    THR  20           H        THR  20 -11.845  -3.881   0.544
  154    HA   THR  20           HA       THR  20 -10.025  -3.618   2.825
  155    HB   THR  20           HB       THR  20 -10.904  -6.309   1.983
  156    HG1  THR  20           1HG      THR  20 -12.863  -5.381   1.647
  157   1HG2  THR  20          1HG2      THR  20  -9.624  -5.820   4.061
  158   2HG2  THR  20          2HG2      THR  20 -11.155  -6.646   4.353
  159   3HG2  THR  20          3HG2      THR  20 -11.015  -4.915   4.658
  160    H    VAL  21           H        VAL  21  -8.147  -4.954   2.988
  161    HA   VAL  21           HA       VAL  21  -6.708  -5.112   0.489
  162    HB   VAL  21           HB       VAL  21  -5.804  -6.021   3.226
  163   1HG1  VAL  21          1HG1      VAL  21  -3.570  -5.282   1.916
  164   2HG1  VAL  21          2HG1      VAL  21  -4.540  -5.875   0.567
  165   3HG1  VAL  21          3HG1      VAL  21  -4.192  -6.933   1.935
  166   1HG2  VAL  21          1HG2      VAL  21  -4.535  -3.623   2.509
  167   2HG2  VAL  21          2HG2      VAL  21  -5.714  -3.874   3.797
  168   3HG2  VAL  21          3HG2      VAL  21  -6.252  -3.380   2.191
  169    H    LYS  22           H        LYS  22  -6.336  -6.878  -0.716
  170    HA   LYS  22           HA       LYS  22  -7.605  -9.370   0.119
  171   1HB   LYS  22          2HB       LYS  22  -7.676  -8.087  -2.252
  172   2HB   LYS  22          1HB       LYS  22  -6.322  -9.170  -2.543
  173   1HG   LYS  22          2HG       LYS  22  -8.975 -10.139  -1.524
  174   2HG   LYS  22          1HG       LYS  22  -8.602  -9.996  -3.243
  175   1HD   LYS  22          2HD       LYS  22  -6.533 -11.419  -2.711
  176   2HD   LYS  22          1HD       LYS  22  -7.345 -11.790  -1.188
  177   1HE   LYS  22          2HE       LYS  22  -8.706 -13.250  -2.178
  178   2HE   LYS  22          1HE       LYS  22  -9.131 -12.096  -3.441
  179   1HZ   LYS  22          1HZ       LYS  22  -7.970 -14.244  -4.124
  180   2HZ   LYS  22          2HZ       LYS  22  -6.560 -13.548  -3.501
  181   3HZ   LYS  22          3HZ       LYS  22  -7.381 -12.798  -4.775
  182    H    GLU  23           H        GLU  23  -4.442  -8.054  -0.603
  183    HA   GLU  23           HA       GLU  23  -3.256 -10.549   0.377
  184   1HB   GLU  23          2HB       GLU  23  -3.279 -10.154  -2.248
  185   2HB   GLU  23          1HB       GLU  23  -1.879  -9.160  -1.871
  186   1HG   GLU  23          2HG       GLU  23  -0.676 -10.988  -1.021
  187   2HG   GLU  23          1HG       GLU  23  -2.119 -11.998  -0.934
  188    H    TRP  24           H        TRP  24  -1.430 -10.333   1.567
  189    HA   TRP  24           HA       TRP  24  -0.201  -7.685   1.829
  190   1HB   TRP  24          2HB       TRP  24  -1.649  -9.204   3.936
  191   2HB   TRP  24          1HB       TRP  24  -0.150  -8.416   4.414
  192    HD1  TRP  24           HD       TRP  24  -3.710  -7.762   4.243
  193    HE1  TRP  24           1HE      TRP  24  -4.219  -5.246   4.359
  194    HE3  TRP  24           3HE      TRP  24   0.972  -5.952   3.309
  195    HZ2  TRP  24           2HZ      TRP  24  -2.822  -2.813   4.090
  196    HZ3  TRP  24           3HZ      TRP  24   1.298  -3.516   3.255
  197    HH2  TRP  24           HH       TRP  24  -0.558  -1.979   3.635
  198    H    TYR  25           H        TYR  25   1.909  -7.962   1.454
  199    HA   TYR  25           HA       TYR  25   3.155 -10.470   2.386
  200   1HB   TYR  25          2HB       TYR  25   3.176  -9.189  -0.237
  201   2HB   TYR  25          1HB       TYR  25   4.794  -9.542   0.360
  202    HD1  TYR  25           1HD      TYR  25   2.073 -10.831  -1.425
  203    HD2  TYR  25           2HD      TYR  25   5.072 -11.984   1.365
  204    HE1  TYR  25           1HE      TYR  25   1.812 -13.174  -2.122
  205    HE2  TYR  25           2HE      TYR  25   4.821 -14.330   0.675
  206    HH   TYR  25           HH       TYR  25   3.581 -15.785  -0.518
  207    H    VAL  26           H        VAL  26   2.956  -8.008   3.892
  208    HA   VAL  26           HA       VAL  26   5.768  -7.687   4.478
  209    HB   VAL  26           HB       VAL  26   5.923  -5.329   4.203
  210   1HG1  VAL  26          1HG1      VAL  26   6.258  -6.652   2.175
  211   2HG1  VAL  26          2HG1      VAL  26   5.617  -5.050   1.813
  212   3HG1  VAL  26          3HG1      VAL  26   4.554  -6.453   1.769
  213   1HG2  VAL  26          1HG2      VAL  26   3.939  -4.073   3.170
  214   2HG2  VAL  26          2HG2      VAL  26   3.848  -4.472   4.886
  215   3HG2  VAL  26          3HG2      VAL  26   2.960  -5.439   3.708
  216    H    LYS  27           H        LYS  27   6.064  -6.123   6.372
  217    HA   LYS  27           HA       LYS  27   3.749  -5.915   8.122
  218   1HB   LYS  27          2HB       LYS  27   6.044  -7.761   8.575
  219   2HB   LYS  27          1HB       LYS  27   5.358  -6.931   9.966
  220   1HG   LYS  27          2HG       LYS  27   3.740  -8.570   8.033
  221   2HG   LYS  27          1HG       LYS  27   4.429  -9.204   9.528
  222   1HD   LYS  27          2HD       LYS  27   3.038  -7.899  10.865
  223   2HD   LYS  27          1HD       LYS  27   2.694  -6.761   9.561
  224   1HE   LYS  27          2HE       LYS  27   0.833  -8.369  10.202
  225   2HE   LYS  27          1HE       LYS  27   1.240  -8.263   8.489
  226   1HZ   LYS  27          1HZ       LYS  27   2.253 -10.321   8.516
  227   2HZ   LYS  27          2HZ       LYS  27   0.946 -10.566   9.561
  228   3HZ   LYS  27          3HZ       LYS  27   2.496 -10.315  10.191
  229    H    GLU  28           H        GLU  28   4.205  -4.616  10.066
  230    HA   GLU  28           HA       GLU  28   5.581  -2.263   9.493
  231   1HB   GLU  28          2HB       GLU  28   5.165  -3.222  12.315
  232   2HB   GLU  28          1HB       GLU  28   5.102  -1.578  11.695
  233   1HG   GLU  28          2HG       GLU  28   2.892  -1.856  11.803
  234   2HG   GLU  28          1HG       GLU  28   3.096  -2.741  10.292
  235    H    GLY  29           H        GLY  29   7.668  -1.626   9.688
  236   1HA   GLY  29          2HA       GLY  29   9.898  -1.677  10.313
  237   2HA   GLY  29          1HA       GLY  29   9.496  -2.923  11.486
  238    H    ASP  30           H        ASP  30   8.269  -3.866   8.551
  239    HA   ASP  30           HA       ASP  30  10.476  -5.729   8.148
  240   1HB   ASP  30          2HB       ASP  30   7.817  -6.187   8.268
  241   2HB   ASP  30          1HB       ASP  30   8.009  -5.973   6.530
  242    H    THR  31           H        THR  31  11.263  -6.200   6.024
  243    HA   THR  31           HA       THR  31  11.313  -3.809   4.334
  244    HB   THR  31           HB       THR  31  13.108  -6.202   4.000
  245    HG1  THR  31           1HG      THR  31  14.584  -5.033   5.371
  246   1HG2  THR  31          1HG2      THR  31  12.979  -4.453   2.223
  247   2HG2  THR  31          2HG2      THR  31  14.583  -4.625   2.939
  248   3HG2  THR  31          3HG2      THR  31  13.547  -3.276   3.406
  249    H    VAL  32           H        VAL  32  11.101  -3.958   2.078
  250    HA   VAL  32           HA       VAL  32   9.409  -6.181   1.193
  251    HB   VAL  32           HB       VAL  32   9.257  -4.178  -0.753
  252   1HG1  VAL  32          1HG1      VAL  32   7.567  -5.685   0.888
  253   2HG1  VAL  32          2HG1      VAL  32   7.123  -4.715  -0.517
  254   3HG1  VAL  32          3HG1      VAL  32   7.081  -4.005   1.097
  255   1HG2  VAL  32          1HG2      VAL  32   8.496  -2.198   0.533
  256   2HG2  VAL  32          2HG2      VAL  32  10.224  -2.511   0.686
  257   3HG2  VAL  32          3HG2      VAL  32   9.129  -2.950   1.995
  258    H    SER  33           H        SER  33   9.673  -7.015  -0.936
  259    HA   SER  33           HA       SER  33  12.310  -6.509  -2.140
  260   1HB   SER  33          2HB       SER  33  11.379  -8.946  -0.941
  261   2HB   SER  33          1HB       SER  33  11.607  -9.201  -2.671
  262    HG   SER  33           HG       SER  33  13.533  -8.064  -0.923
  263    H    GLN  34           H        GLN  34  12.440  -7.223  -4.427
  264    HA   GLN  34           HA       GLN  34  10.481  -6.074  -6.001
  265   1HB   GLN  34          2HB       GLN  34  12.950  -7.183  -6.451
  266   2HB   GLN  34          1HB       GLN  34  11.890  -8.295  -7.305
  267   1HG   GLN  34          2HG       GLN  34  11.384  -5.435  -7.777
  268   2HG   GLN  34          1HG       GLN  34  12.917  -6.059  -8.385
  269   1HE2  GLN  34          1HE2      GLN  34   9.442  -6.709  -8.376
  270   2HE2  GLN  34          2HE2      GLN  34   9.386  -7.393  -9.962
  271    H    PHE  35           H        PHE  35  10.686  -9.334  -4.761
  272    HA   PHE  35           HA       PHE  35   8.409 -10.184  -6.381
  273   1HB   PHE  35          2HB       PHE  35  10.529 -11.556  -4.830
  274   2HB   PHE  35          1HB       PHE  35   8.960 -12.352  -4.882
  275    HD1  PHE  35           1HD      PHE  35   8.395 -13.682  -6.688
  276    HD2  PHE  35           2HD      PHE  35  11.557 -10.862  -7.093
  277    HE1  PHE  35           1HE      PHE  35   8.937 -14.613  -8.899
  278    HE2  PHE  35           2HE      PHE  35  12.103 -11.786  -9.307
  279    HZ   PHE  35           HZ       PHE  35  10.791 -13.665 -10.212
  280    H    ASP  36           H        ASP  36   9.111  -9.049  -3.214
  281    HA   ASP  36           HA       ASP  36   6.626 -10.147  -2.132
  282   1HB   ASP  36          2HB       ASP  36   9.113  -9.016  -0.959
  283   2HB   ASP  36          1HB       ASP  36   7.621  -8.798  -0.049
  284    H    SER  37           H        SER  37   4.991  -8.946  -3.000
  285    HA   SER  37           HA       SER  37   5.044  -6.127  -3.296
  286   1HB   SER  37          2HB       SER  37   2.463  -6.498  -3.419
  287   2HB   SER  37          1HB       SER  37   3.487  -7.176  -4.684
  288    HG   SER  37           HG       SER  37   2.861  -9.087  -4.101
  289    H    ILE  38           H        ILE  38   3.619  -4.592  -2.153
  290    HA   ILE  38           HA       ILE  38   3.839  -5.002   0.711
  291    HB   ILE  38           HB       ILE  38   2.787  -2.574  -0.735
  292   1HG1  ILE  38          2HG1      ILE  38   5.558  -3.501  -0.062
  293   2HG1  ILE  38          1HG1      ILE  38   4.969  -2.769  -1.545
  294   1HG2  ILE  38          1HG2      ILE  38   2.529  -1.620   1.276
  295   2HG2  ILE  38          2HG2      ILE  38   4.091  -2.211   1.845
  296   3HG2  ILE  38          3HG2      ILE  38   2.670  -3.247   1.942
  297   1HD1  ILE  38          1HD1      ILE  38   4.647  -0.807   0.400
  298   2HD1  ILE  38          2HD1      ILE  38   5.884  -0.880  -0.855
  299   3HD1  ILE  38          3HD1      ILE  38   6.210  -1.552   0.745
  300    H    CYS  39           H        CYS  39   1.179  -3.575  -1.183
  301    HA   CYS  39           HA       CYS  39  -0.682  -5.337   0.238
  302   1HB   CYS  39          2HB       CYS  39  -2.036  -2.883  -0.013
  303   2HB   CYS  39          1HB       CYS  39  -1.520  -3.674   1.465
  304    HG   CYS  39           HG       CYS  39   0.285  -1.338  -0.275
  305    H    GLU  40           H        GLU  40  -2.573  -5.824  -0.820
  306    HA   GLU  40           HA       GLU  40  -2.994  -4.717  -3.493
  307   1HB   GLU  40          2HB       GLU  40  -2.808  -7.676  -2.889
  308   2HB   GLU  40          1HB       GLU  40  -3.321  -6.988  -4.424
  309   1HG   GLU  40          2HG       GLU  40  -1.226  -6.778  -5.103
  310   2HG   GLU  40          1HG       GLU  40  -0.782  -5.897  -3.642
  311    H    VAL  41           H        VAL  41  -5.076  -4.200  -3.756
  312    HA   VAL  41           HA       VAL  41  -7.056  -5.543  -2.034
  313    HB   VAL  41           HB       VAL  41  -8.368  -3.517  -1.995
  314   1HG1  VAL  41          1HG1      VAL  41  -7.067  -3.290  -0.172
  315   2HG1  VAL  41          2HG1      VAL  41  -6.366  -1.954  -1.086
  316   3HG1  VAL  41          3HG1      VAL  41  -5.572  -3.529  -1.077
  317   1HG2  VAL  41          1HG2      VAL  41  -7.771  -2.718  -4.258
  318   2HG2  VAL  41          2HG2      VAL  41  -6.193  -2.226  -3.640
  319   3HG2  VAL  41          3HG2      VAL  41  -7.658  -1.455  -3.032
  320    H    GLN  42           H        GLN  42  -9.179  -5.831  -2.881
  321    HA   GLN  42           HA       GLN  42  -9.459  -5.578  -5.785
  322   1HB   GLN  42          2HB       GLN  42  -9.875  -8.136  -4.231
  323   2HB   GLN  42          1HB       GLN  42 -10.372  -7.896  -5.900
  324   1HG   GLN  42          2HG       GLN  42  -7.677  -7.165  -5.806
  325   2HG   GLN  42          1HG       GLN  42  -7.811  -8.635  -4.842
  326   1HE2  GLN  42          1HE2      GLN  42  -6.347  -9.040  -6.892
  327   2HE2  GLN  42          2HE2      GLN  42  -7.169  -9.824  -8.194
  328    H    SER  43           H        SER  43 -11.327  -4.641  -6.247
  329    HA   SER  43           HA       SER  43 -13.595  -5.033  -4.409
  330   1HB   SER  43          2HB       SER  43 -12.690  -2.766  -4.165
  331   2HB   SER  43          1HB       SER  43 -12.863  -2.501  -5.900
  332    HG   SER  43           HG       SER  43 -14.850  -1.970  -5.533
  333    H    ASP  44           H        ASP  44 -15.700  -4.950  -5.362
  334    HA   ASP  44           HA       ASP  44 -16.067  -6.445  -7.634
  335   1HB   ASP  44          2HB       ASP  44 -17.764  -5.671  -5.824
  336   2HB   ASP  44          1HB       ASP  44 -18.042  -4.304  -6.898
  337    H    LYS  45           H        LYS  45 -15.449  -3.036  -7.370
  338    HA   LYS  45           HA       LYS  45 -16.229  -2.385 -10.051
  339   1HB   LYS  45          2HB       LYS  45 -16.309  -0.653  -8.385
  340   2HB   LYS  45          1HB       LYS  45 -14.618  -0.895  -7.974
  341   1HG   LYS  45          2HG       LYS  45 -14.174  -0.243 -10.438
  342   2HG   LYS  45          1HG       LYS  45 -15.807   0.421 -10.377
  343   1HD   LYS  45          2HD       LYS  45 -15.098   2.214  -9.264
  344   2HD   LYS  45          1HD       LYS  45 -14.313   1.206  -8.046
  345   1HE   LYS  45          2HE       LYS  45 -12.576   2.481  -8.964
  346   2HE   LYS  45          1HE       LYS  45 -12.438   0.910  -9.752
  347   1HZ   LYS  45          1HZ       LYS  45 -14.061   2.966 -11.058
  348   2HZ   LYS  45          2HZ       LYS  45 -13.117   1.741 -11.742
  349   3HZ   LYS  45          3HZ       LYS  45 -12.378   3.129 -11.120
  350    H    ALA  46           H        ALA  46 -13.022  -2.139  -8.513
  351    HA   ALA  46           HA       ALA  46 -11.810  -3.486 -10.797
  352   1HB   ALA  46          1HB       ALA  46 -11.064  -0.681  -9.979
  353   2HB   ALA  46          2HB       ALA  46 -11.817  -1.170 -11.497
  354   3HB   ALA  46          3HB       ALA  46 -10.168  -1.676 -11.127
  355    H    SER  47           H        SER  47  -9.761  -4.350 -10.372
  356    HA   SER  47           HA       SER  47  -9.074  -4.432  -7.516
  357   1HB   SER  47          2HB       SER  47  -8.409  -6.383  -9.734
  358   2HB   SER  47          1HB       SER  47  -7.908  -6.554  -8.052
  359    HG   SER  47           HG       SER  47 -10.009  -7.571  -8.954
  360    H    VAL  48           H        VAL  48  -7.094  -3.849  -6.796
  361    HA   VAL  48           HA       VAL  48  -5.089  -3.062  -8.806
  362    HB   VAL  48           HB       VAL  48  -5.529  -1.579  -6.220
  363   1HG1  VAL  48          1HG1      VAL  48  -3.537  -1.516  -8.290
  364   2HG1  VAL  48          2HG1      VAL  48  -3.585  -0.649  -6.755
  365   3HG1  VAL  48          3HG1      VAL  48  -4.358   0.041  -8.182
  366   1HG2  VAL  48          1HG2      VAL  48  -6.822   0.038  -7.328
  367   2HG2  VAL  48          2HG2      VAL  48  -7.495  -1.507  -7.847
  368   3HG2  VAL  48          3HG2      VAL  48  -6.422  -0.608  -8.919
  369    H    THR  49           H        THR  49  -2.993  -3.549  -8.378
  370    HA   THR  49           HA       THR  49  -2.376  -4.829  -5.797
  371    HB   THR  49           HB       THR  49  -0.860  -6.389  -7.030
  372    HG1  THR  49           1HG      THR  49  -0.673  -5.226  -8.984
  373   1HG2  THR  49          1HG2      THR  49  -3.706  -6.470  -6.828
  374   2HG2  THR  49          2HG2      THR  49  -2.557  -7.806  -6.774
  375   3HG2  THR  49          3HG2      THR  49  -3.220  -7.275  -8.319
  376    H    ILE  50           H        ILE  50  -0.605  -4.026  -4.819
  377    HA   ILE  50           HA       ILE  50   1.111  -2.234  -6.398
  378    HB   ILE  50           HB       ILE  50   0.671  -2.321  -3.411
  379   1HG1  ILE  50          2HG1      ILE  50  -1.247  -1.344  -4.388
  380   2HG1  ILE  50          1HG1      ILE  50  -0.244   0.014  -3.890
  381   1HG2  ILE  50          1HG2      ILE  50   2.900  -1.616  -3.706
  382   2HG2  ILE  50          2HG2      ILE  50   1.965  -0.138  -3.491
  383   3HG2  ILE  50          3HG2      ILE  50   2.485  -0.624  -5.104
  384   1HD1  ILE  50          1HD1      ILE  50   0.633  -0.087  -6.334
  385   2HD1  ILE  50          2HD1      ILE  50  -0.922   0.665  -5.980
  386   3HD1  ILE  50          3HD1      ILE  50  -0.863  -0.974  -6.629
  387    H    THR  51           H        THR  51   2.824  -3.298  -7.121
  388    HA   THR  51           HA       THR  51   4.096  -5.374  -5.548
  389    HB   THR  51           HB       THR  51   5.767  -4.814  -7.708
  390    HG1  THR  51           1HG      THR  51   3.991  -4.948  -9.406
  391   1HG2  THR  51          1HG2      THR  51   4.997  -6.916  -8.578
  392   2HG2  THR  51          2HG2      THR  51   3.491  -6.794  -7.668
  393   3HG2  THR  51          3HG2      THR  51   5.018  -7.025  -6.817
  394    H    SER  52           H        SER  52   6.692  -5.153  -5.746
  395    HA   SER  52           HA       SER  52   7.267  -2.683  -4.298
  396   1HB   SER  52          2HB       SER  52   9.010  -5.134  -4.612
  397   2HB   SER  52          1HB       SER  52   9.264  -3.793  -3.495
  398    HG   SER  52           HG       SER  52   7.263  -4.382  -2.505
  399    H    ARG  53           H        ARG  53   8.753  -4.656  -6.878
  400    HA   ARG  53           HA       ARG  53   9.997  -4.088  -8.695
  401   1HB   ARG  53          2HB       ARG  53   8.471  -2.543  -9.496
  402   2HB   ARG  53          1HB       ARG  53   8.602  -1.510  -8.089
  403   1HG   ARG  53          2HG       ARG  53   9.500  -0.424 -10.053
  404   2HG   ARG  53          1HG       ARG  53  10.775  -0.714  -8.868
  405   1HD   ARG  53          2HD       ARG  53  11.847  -1.464 -10.733
  406   2HD   ARG  53          1HD       ARG  53  11.031  -2.956 -10.269
  407    HE   ARG  53           HE       ARG  53   9.466  -1.340 -12.039
  408   1HH1  ARG  53          1HH1      ARG  53  12.018  -3.700 -11.862
  409   2HH1  ARG  53          2HH1      ARG  53  11.768  -4.284 -13.473
  410   1HH2  ARG  53          1HH2      ARG  53   9.125  -2.101 -14.163
  411   2HH2  ARG  53          2HH2      ARG  53  10.124  -3.374 -14.782
  412    H    TYR  54           H        TYR  54  10.783  -3.443  -5.647
  413    HA   TYR  54           HA       TYR  54  13.525  -3.207  -6.050
  414   1HB   TYR  54          2HB       TYR  54  12.022  -0.658  -5.678
  415   2HB   TYR  54          1HB       TYR  54  13.518  -0.847  -4.768
  416    HD1  TYR  54           1HD      TYR  54  15.511  -1.850  -6.309
  417    HD2  TYR  54           2HD      TYR  54  12.198   0.429  -7.695
  418    HE1  TYR  54           1HE      TYR  54  16.804  -1.191  -8.294
  419    HE2  TYR  54           2HE      TYR  54  13.480   1.095  -9.685
  420    HH   TYR  54           HH       TYR  54  15.851  -0.314 -10.901
  421    H    ASP  55           H        ASP  55  14.591  -2.670  -3.794
  422    HA   ASP  55           HA       ASP  55  12.932  -4.057  -1.824
  423   1HB   ASP  55          2HB       ASP  55  14.931  -4.594  -0.640
  424   2HB   ASP  55          1HB       ASP  55  15.244  -4.911  -2.343
  425    H    GLY  56           H        GLY  56  11.887  -2.909  -0.368
  426   1HA   GLY  56          2HA       GLY  56  13.064  -0.338   0.471
  427   2HA   GLY  56          1HA       GLY  56  11.351  -0.505   0.128
  428    H    VAL  57           H        VAL  57  12.202   0.512   2.520
  429    HA   VAL  57           HA       VAL  57  11.858  -1.712   4.421
  430    HB   VAL  57           HB       VAL  57  12.685   1.064   5.210
  431   1HG1  VAL  57          1HG1      VAL  57  12.353  -0.027   7.166
  432   2HG1  VAL  57          2HG1      VAL  57  13.990  -0.602   6.848
  433   3HG1  VAL  57          3HG1      VAL  57  12.605  -1.618   6.448
  434   1HG2  VAL  57          1HG2      VAL  57  14.403  -1.116   4.055
  435   2HG2  VAL  57          2HG2      VAL  57  15.055   0.140   5.109
  436   3HG2  VAL  57          3HG2      VAL  57  14.305   0.578   3.574
  437    H    ILE  58           H        ILE  58   9.932  -1.983   5.307
  438    HA   ILE  58           HA       ILE  58   8.036   0.262   5.379
  439    HB   ILE  58           HB       ILE  58   7.411  -2.644   5.915
  440   1HG1  ILE  58          2HG1      ILE  58   7.132  -1.115   3.330
  441   2HG1  ILE  58          1HG1      ILE  58   8.376  -2.317   3.648
  442   1HG2  ILE  58          1HG2      ILE  58   5.773  -0.185   5.391
  443   2HG2  ILE  58          2HG2      ILE  58   5.675  -1.307   6.749
  444   3HG2  ILE  58          3HG2      ILE  58   5.121  -1.807   5.149
  445   1HD1  ILE  58          1HD1      ILE  58   6.995  -4.002   3.195
  446   2HD1  ILE  58          2HD1      ILE  58   5.955  -2.778   2.467
  447   3HD1  ILE  58          3HD1      ILE  58   5.682  -3.291   4.132
  448    H    LYS  59           H        LYS  59   7.618   1.253   7.241
  449    HA   LYS  59           HA       LYS  59   8.695   0.073   9.693
  450   1HB   LYS  59          2HB       LYS  59   9.298   2.412   8.901
  451   2HB   LYS  59          1HB       LYS  59   7.671   2.882   9.374
  452   1HG   LYS  59          2HG       LYS  59   8.095   2.357  11.655
  453   2HG   LYS  59          1HG       LYS  59   9.635   1.595  11.252
  454   1HD   LYS  59          2HD       LYS  59  10.721   3.564  11.145
  455   2HD   LYS  59          1HD       LYS  59   9.370   4.376  10.351
  456   1HE   LYS  59          2HE       LYS  59   8.284   4.793  12.398
  457   2HE   LYS  59          1HE       LYS  59   9.302   3.644  13.265
  458   1HZ   LYS  59          1HZ       LYS  59   9.955   6.360  12.333
  459   2HZ   LYS  59          2HZ       LYS  59  11.191   5.229  12.564
  460   3HZ   LYS  59          3HZ       LYS  59  10.195   5.666  13.858
  461    H    LYS  60           H        LYS  60   5.594   1.231   8.399
  462    HA   LYS  60           HA       LYS  60   4.303  -0.153  10.602
  463   1HB   LYS  60          2HB       LYS  60   3.167   1.637  11.544
  464   2HB   LYS  60          1HB       LYS  60   4.772   2.292  11.261
  465   1HG   LYS  60          2HG       LYS  60   2.344   2.743   9.536
  466   2HG   LYS  60          1HG       LYS  60   3.035   3.891  10.682
  467   1HD   LYS  60          2HD       LYS  60   4.468   2.781   8.272
  468   2HD   LYS  60          1HD       LYS  60   3.669   4.350   8.338
  469   1HE   LYS  60          2HE       LYS  60   5.856   3.543  10.241
  470   2HE   LYS  60          1HE       LYS  60   6.170   4.356   8.709
  471   1HZ   LYS  60          1HZ       LYS  60   4.164   5.628  10.351
  472   2HZ   LYS  60          2HZ       LYS  60   5.467   6.306   9.513
  473   3HZ   LYS  60          3HZ       LYS  60   5.712   5.612  11.036
  474    H    LEU  61           H        LEU  61   2.270  -0.829  10.255
  475    HA   LEU  61           HA       LEU  61   0.983  -0.135   7.707
  476   1HB   LEU  61          2HB       LEU  61   1.323  -2.886   8.909
  477   2HB   LEU  61          1HB       LEU  61   0.175  -2.526   7.631
  478    HG   LEU  61           HG       LEU  61   2.956  -1.719   7.074
  479   1HD1  LEU  61          1HD1      LEU  61   2.370  -4.611   6.747
  480   2HD1  LEU  61          2HD1      LEU  61   2.911  -4.031   8.322
  481   3HD1  LEU  61          3HD1      LEU  61   3.917  -3.779   6.896
  482   1HD2  LEU  61          1HD2      LEU  61   2.092  -3.212   5.001
  483   2HD2  LEU  61          2HD2      LEU  61   1.767  -1.488   5.181
  484   3HD2  LEU  61          3HD2      LEU  61   0.557  -2.670   5.676
  485    H    TYR  62           H        TYR  62  -1.291  -0.014   7.805
  486    HA   TYR  62           HA       TYR  62  -2.358  -0.104  10.549
  487   1HB   TYR  62          2HB       TYR  62  -2.131   2.107   9.101
  488   2HB   TYR  62          1HB       TYR  62  -3.675   1.554   8.456
  489    HD1  TYR  62           1HD      TYR  62  -1.929   2.359  11.644
  490    HD2  TYR  62           2HD      TYR  62  -5.657   1.977   9.628
  491    HE1  TYR  62           1HE      TYR  62  -3.075   3.340  13.587
  492    HE2  TYR  62           2HE      TYR  62  -6.812   2.956  11.565
  493    HH   TYR  62           HH       TYR  62  -5.610   3.148  14.520
  494    H    TYR  63           H        TYR  63  -3.185  -0.747   7.151
  495    HA   TYR  63           HA       TYR  63  -5.571  -2.177   8.093
  496   1HB   TYR  63          2HB       TYR  63  -4.869  -1.194   5.323
  497   2HB   TYR  63          1HB       TYR  63  -6.346  -2.055   5.748
  498    HD1  TYR  63           1HD      TYR  63  -5.516   0.965   4.757
  499    HD2  TYR  63           2HD      TYR  63  -7.119  -0.815   8.273
  500    HE1  TYR  63           1HE      TYR  63  -6.583   3.101   5.345
  501    HE2  TYR  63           2HE      TYR  63  -8.190   1.315   8.871
  502    HH   TYR  63           HH       TYR  63  -8.698   3.762   6.809
  503    H    ASN  64           H        ASN  64  -5.964  -4.281   7.616
  504    HA   ASN  64           HA       ASN  64  -3.755  -5.805   6.409
  505   1HB   ASN  64          2HB       ASN  64  -5.654  -6.572   8.631
  506   2HB   ASN  64          1HB       ASN  64  -4.558  -7.708   7.844
  507   1HD2  ASN  64          1HD2      ASN  64  -3.682  -8.023   9.975
  508   2HD2  ASN  64          2HD2      ASN  64  -2.514  -6.913  10.598
  509    H    LEU  65           H        LEU  65  -4.781  -8.183   6.028
  510    HA   LEU  65           HA       LEU  65  -6.182  -8.103   3.678
  511   1HB   LEU  65          2HB       LEU  65  -5.885 -10.227   5.777
  512   2HB   LEU  65          1HB       LEU  65  -6.760 -10.523   4.295
  513    HG   LEU  65           HG       LEU  65  -4.296  -9.436   3.509
  514   1HD1  LEU  65          1HD1      LEU  65  -3.169  -9.826   5.493
  515   2HD1  LEU  65          2HD1      LEU  65  -2.836 -11.287   4.564
  516   3HD1  LEU  65          3HD1      LEU  65  -4.064 -11.308   5.829
  517   1HD2  LEU  65          1HD2      LEU  65  -3.930 -11.744   2.635
  518   2HD2  LEU  65          2HD2      LEU  65  -5.495 -11.048   2.215
  519   3HD2  LEU  65          3HD2      LEU  65  -5.381 -12.246   3.504
  520    H    ASP  66           H        ASP  66  -7.451  -7.802   6.889
  521    HA   ASP  66           HA       ASP  66 -10.170  -8.308   5.898
  522   1HB   ASP  66          2HB       ASP  66  -9.206  -9.510   7.958
  523   2HB   ASP  66          1HB       ASP  66  -9.434  -7.976   8.793
  524    H    ASP  67           H        ASP  67  -8.129  -5.780   7.157
  525    HA   ASP  67           HA       ASP  67 -10.313  -4.047   7.833
  526   1HB   ASP  67          2HB       ASP  67  -7.481  -3.140   7.391
  527   2HB   ASP  67          1HB       ASP  67  -8.704  -2.440   8.444
  528    H    ILE  68           H        ILE  68 -10.805  -2.050   6.882
  529    HA   ILE  68           HA       ILE  68 -10.474  -2.009   3.953
  530    HB   ILE  68           HB       ILE  68 -12.471  -0.265   5.308
  531   1HG1  ILE  68          2HG1      ILE  68 -12.731  -2.521   6.370
  532   2HG1  ILE  68          1HG1      ILE  68 -14.140  -1.992   5.456
  533   1HG2  ILE  68          1HG2      ILE  68 -12.828  -1.895   2.822
  534   2HG2  ILE  68          2HG2      ILE  68 -11.909  -0.388   2.809
  535   3HG2  ILE  68          3HG2      ILE  68 -13.608  -0.384   3.285
  536   1HD1  ILE  68          1HD1      ILE  68 -12.209  -3.574   3.932
  537   2HD1  ILE  68          2HD1      ILE  68 -13.969  -3.672   3.990
  538   3HD1  ILE  68          3HD1      ILE  68 -12.999  -4.431   5.255
  539    H    ALA  69           H        ALA  69  -9.780  -0.188   2.923
  540    HA   ALA  69           HA       ALA  69  -8.717   1.921   4.673
  541   1HB   ALA  69          1HB       ALA  69  -6.951   2.261   3.124
  542   2HB   ALA  69          2HB       ALA  69  -7.718   1.224   1.923
  543   3HB   ALA  69          3HB       ALA  69  -7.065   0.524   3.403
  544    H    TYR  70           H        TYR  70  -8.882   4.076   4.021
  545    HA   TYR  70           HA       TYR  70 -11.062   4.596   2.115
  546   1HB   TYR  70          2HB       TYR  70 -11.744   5.354   4.245
  547   2HB   TYR  70          1HB       TYR  70 -10.156   6.014   4.614
  548    HD1  TYR  70           1HD      TYR  70 -13.050   6.500   2.308
  549    HD2  TYR  70           2HD      TYR  70  -9.767   8.285   4.342
  550    HE1  TYR  70           1HE      TYR  70 -13.807   8.720   1.570
  551    HE2  TYR  70           2HE      TYR  70 -10.515  10.510   3.610
  552    HH   TYR  70           HH       TYR  70 -12.617  11.598   2.882
  553    H    VAL  71           H        VAL  71 -10.880   6.297   0.634
  554    HA   VAL  71           HA       VAL  71  -8.181   6.797  -0.258
  555    HB   VAL  71           HB       VAL  71 -10.706   7.946  -1.437
  556   1HG1  VAL  71          1HG1      VAL  71  -8.318   7.173  -3.023
  557   2HG1  VAL  71          2HG1      VAL  71  -8.223   8.633  -2.039
  558   3HG1  VAL  71          3HG1      VAL  71  -9.470   8.482  -3.278
  559   1HG2  VAL  71          1HG2      VAL  71 -10.197   5.249  -1.144
  560   2HG2  VAL  71          2HG2      VAL  71  -9.635   5.603  -2.777
  561   3HG2  VAL  71          3HG2      VAL  71 -11.294   5.982  -2.313
  562    H    GLY  72           H        GLY  72  -7.038   8.637  -0.095
  563   1HA   GLY  72          2HA       GLY  72  -7.149  11.119  -0.069
  564   2HA   GLY  72          1HA       GLY  72  -8.377  10.945   1.174
  565    H    LYS  73           H        LYS  73  -6.521   8.584   2.127
  566    HA   LYS  73           HA       LYS  73  -4.382  10.168   3.317
  567   1HB   LYS  73          2HB       LYS  73  -4.932   9.393   5.587
  568   2HB   LYS  73          1HB       LYS  73  -6.203  10.397   4.905
  569   1HG   LYS  73          2HG       LYS  73  -7.514   8.413   4.387
  570   2HG   LYS  73          1HG       LYS  73  -6.230   7.388   5.030
  571   1HD   LYS  73          2HD       LYS  73  -7.578   9.515   6.675
  572   2HD   LYS  73          1HD       LYS  73  -8.191   7.863   6.576
  573   1HE   LYS  73          2HE       LYS  73  -6.096   7.005   7.441
  574   2HE   LYS  73          1HE       LYS  73  -5.411   8.629   7.457
  575   1HZ   LYS  73          1HZ       LYS  73  -6.081   8.536   9.593
  576   2HZ   LYS  73          2HZ       LYS  73  -7.286   7.386   9.301
  577   3HZ   LYS  73          3HZ       LYS  73  -7.568   9.015   8.943
  578    HA   PRO  74           HA       PRO  74  -2.299   6.293   2.487
  579   1HB   PRO  74          2HB       PRO  74  -0.054   7.301   4.051
  580   2HB   PRO  74          1HB       PRO  74  -0.147   6.995   2.316
  581   1HG   PRO  74          2HG       PRO  74   0.014   9.490   3.382
  582   2HG   PRO  74          1HG       PRO  74  -0.788   9.140   1.841
  583   1HD   PRO  74          2HD       PRO  74  -1.982   9.631   4.537
  584   2HD   PRO  74          1HD       PRO  74  -2.548  10.144   2.934
  585    H    LEU  75           H        LEU  75  -1.415   4.472   3.703
  586    HA   LEU  75           HA       LEU  75  -2.051   4.620   6.569
  587   1HB   LEU  75          2HB       LEU  75  -2.769   2.221   6.423
  588   2HB   LEU  75          1HB       LEU  75  -3.835   3.390   5.674
  589    HG   LEU  75           HG       LEU  75  -3.587   1.305   4.373
  590   1HD1  LEU  75          1HD1      LEU  75  -4.009   2.482   2.541
  591   2HD1  LEU  75          2HD1      LEU  75  -2.364   3.119   2.484
  592   3HD1  LEU  75          3HD1      LEU  75  -3.588   3.923   3.467
  593   1HD2  LEU  75          1HD2      LEU  75  -1.599   0.574   3.461
  594   2HD2  LEU  75          2HD2      LEU  75  -1.081   1.149   5.045
  595   3HD2  LEU  75          3HD2      LEU  75  -0.824   2.151   3.616
  596    H    VAL  76           H        VAL  76   0.281   3.711   4.197
  597    HA   VAL  76           HA       VAL  76   1.934   2.673   6.395
  598    HB   VAL  76           HB       VAL  76   1.016   0.711   5.230
  599   1HG1  VAL  76          1HG1      VAL  76   2.594   0.865   2.842
  600   2HG1  VAL  76          2HG1      VAL  76   1.495   2.241   2.932
  601   3HG1  VAL  76          3HG1      VAL  76   0.860   0.597   3.020
  602   1HG2  VAL  76          1HG2      VAL  76   3.824   1.322   5.593
  603   2HG2  VAL  76          2HG2      VAL  76   3.574   0.094   4.354
  604   3HG2  VAL  76          3HG2      VAL  76   2.930  -0.146   5.976
  605    H    ASP  77           H        ASP  77   4.082   3.142   6.310
  606    HA   ASP  77           HA       ASP  77   4.964   4.809   4.051
  607   1HB   ASP  77          2HB       ASP  77   6.416   4.771   6.667
  608   2HB   ASP  77          1HB       ASP  77   6.308   6.057   5.477
  609    H    ILE  78           H        ILE  78   6.593   4.090   2.830
  610    HA   ILE  78           HA       ILE  78   8.345   1.966   3.869
  611    HB   ILE  78           HB       ILE  78   7.372   1.919   1.033
  612   1HG1  ILE  78          2HG1      ILE  78   5.951  -0.089   2.172
  613   2HG1  ILE  78          1HG1      ILE  78   5.920   1.101   3.471
  614   1HG2  ILE  78          1HG2      ILE  78   8.820   0.058   2.858
  615   2HG2  ILE  78          2HG2      ILE  78   9.212   0.550   1.210
  616   3HG2  ILE  78          3HG2      ILE  78   7.893  -0.584   1.503
  617   1HD1  ILE  78          1HD1      ILE  78   5.354   2.353   0.950
  618   2HD1  ILE  78          2HD1      ILE  78   4.383   2.290   2.424
  619   3HD1  ILE  78          3HD1      ILE  78   4.268   0.991   1.236
  620    H    GLU  79           H        GLU  79  10.458   1.925   2.926
  621    HA   GLU  79           HA       GLU  79  11.127   4.464   1.617
  622   1HB   GLU  79          2HB       GLU  79  12.453   2.784   3.541
  623   2HB   GLU  79          1HB       GLU  79  13.473   2.965   2.120
  624   1HG   GLU  79          2HG       GLU  79  12.394   5.508   2.799
  625   2HG   GLU  79          1HG       GLU  79  13.087   4.775   4.245
  626    H    THR  80           H        THR  80  11.099   4.414  -0.495
  627    HA   THR  80           HA       THR  80  12.366   2.200  -1.926
  628    HB   THR  80           HB       THR  80  10.057   3.058  -3.413
  629    HG1  THR  80           1HG      THR  80   9.355   1.786  -0.982
  630   1HG2  THR  80          1HG2      THR  80  11.039   0.985  -3.944
  631   2HG2  THR  80          2HG2      THR  80   9.514   0.574  -3.158
  632   3HG2  THR  80          3HG2      THR  80  11.027   0.454  -2.261
  633    H    GLU  81           H        GLU  81  12.940   2.759  -4.147
  634    HA   GLU  81           HA       GLU  81  14.105   5.284  -4.381
  635   1HB   GLU  81          2HB       GLU  81  13.352   3.235  -6.466
  636   2HB   GLU  81          1HB       GLU  81  14.218   4.713  -6.862
  637   1HG   GLU  81          2HG       GLU  81  15.808   3.862  -4.928
  638   2HG   GLU  81          1HG       GLU  81  15.139   2.304  -5.407
  639    H    ALA  82           H        ALA  82  13.234   7.207  -4.704
  640    HA   ALA  82           HA       ALA  82  10.615   7.862  -4.857
  641   1HB   ALA  82          1HB       ALA  82  13.011   9.245  -5.039
  642   2HB   ALA  82          2HB       ALA  82  11.396   9.940  -4.906
  643   3HB   ALA  82          3HB       ALA  82  12.125   9.702  -6.494
  644    H    LEU  83           H        LEU  83   9.038   7.388  -6.223
  645    HA   LEU  83           HA       LEU  83   9.714   6.966  -9.045
  646   1HB   LEU  83          2HB       LEU  83   8.144   5.458  -7.264
  647   2HB   LEU  83          1HB       LEU  83   7.029   6.169  -8.414
  648    HG   LEU  83           HG       LEU  83   8.064   5.084 -10.248
  649   1HD1  LEU  83          1HD1      LEU  83  10.130   3.538  -9.531
  650   2HD1  LEU  83          2HD1      LEU  83  10.365   4.875  -8.405
  651   3HD1  LEU  83          3HD1      LEU  83  10.324   5.182 -10.142
  652   1HD2  LEU  83          1HD2      LEU  83   7.866   3.274  -7.858
  653   2HD2  LEU  83          2HD2      LEU  83   8.152   2.672  -9.489
  654   3HD2  LEU  83          3HD2      LEU  83   6.668   3.550  -9.122
  655    H    LYS  84           H        LYS  84   8.560   7.889 -10.656
  656    HA   LYS  84           HA       LYS  84   8.173  10.357 -11.034
  657   1HB   LYS  84          2HB       LYS  84   6.728   8.080 -12.017
  658   2HB   LYS  84          1HB       LYS  84   5.696   9.503 -12.020
  659   1HG   LYS  84          2HG       LYS  84   7.714  10.661 -13.157
  660   2HG   LYS  84          1HG       LYS  84   8.241   9.012 -13.502
  661   1HD   LYS  84          2HD       LYS  84   6.666   8.716 -15.073
  662   2HD   LYS  84          1HD       LYS  84   5.421   9.506 -14.103
  663   1HE   LYS  84          2HE       LYS  84   5.615  11.369 -15.295
  664   2HE   LYS  84          1HE       LYS  84   7.344  11.445 -14.960
  665   1HZ   LYS  84          1HZ       LYS  84   6.976   9.460 -16.864
  666   2HZ   LYS  84          2HZ       LYS  84   7.698  10.974 -17.079
  667   3HZ   LYS  84          3HZ       LYS  84   6.044  10.780 -17.371
  668    H    ASP  85           H        ASP  85   5.450   8.724  -9.266
  669    HA   ASP  85           HA       ASP  85   4.574  11.465  -8.613
  670   1HB   ASP  85          2HB       ASP  85   3.113   8.987  -9.219
  671   2HB   ASP  85          1HB       ASP  85   2.459   9.926  -7.878
  672    H    LEU  86           H        LEU  86   4.506   8.239  -7.072
  673    HA   LEU  86           HA       LEU  86   5.283   9.530  -4.555
  674   1HB   LEU  86          2HB       LEU  86   2.788   9.316  -4.722
  675   2HB   LEU  86          1HB       LEU  86   3.000   7.576  -4.733
  676    HG   LEU  86           HG       LEU  86   4.013   7.683  -2.496
  677   1HD1  LEU  86          1HD1      LEU  86   3.379  10.093  -1.435
  678   2HD1  LEU  86          2HD1      LEU  86   3.893  10.561  -3.057
  679   3HD1  LEU  86          3HD1      LEU  86   4.985   9.649  -2.014
  680   1HD2  LEU  86          1HD2      LEU  86   1.379   9.139  -2.554
  681   2HD2  LEU  86          2HD2      LEU  86   1.996   8.076  -1.289
  682   3HD2  LEU  86          3HD2      LEU  86   1.550   7.412  -2.862
  683    H    GLU  87           H        GLU  87   5.010   6.577  -6.437
  684    HA   GLU  87           HA       GLU  87   7.381   5.460  -5.521
  685   1HB   GLU  87          2HB       GLU  87   6.535   3.626  -4.097
  686   2HB   GLU  87          1HB       GLU  87   6.304   5.206  -3.365
  687   1HG   GLU  87          2HG       GLU  87   4.208   4.575  -3.008
  688   2HG   GLU  87          1HG       GLU  87   3.957   4.816  -4.736
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1  18.377  -8.041  -4.848
    2   2H    MET   1          2HT       MET   1  19.477  -8.545  -6.028
    3   3H    MET   1          3HT       MET   1  19.600  -9.140  -4.450
    4    HA   MET   1           HA       MET   1  18.630 -10.770  -5.975
    5   1HB   MET   1          2HB       MET   1  17.664  -9.854  -3.447
    6   2HB   MET   1          1HB       MET   1  16.287 -10.400  -4.394
    7   1HG   MET   1          2HG       MET   1  16.976 -12.280  -3.209
    8   2HG   MET   1          1HG       MET   1  17.627 -12.515  -4.830
    9   1HE   MET   1          1HE       MET   1  18.162 -13.078  -1.420
   10   2HE   MET   1          2HE       MET   1  19.897 -13.369  -1.299
   11   3HE   MET   1          3HE       MET   1  18.924 -14.302  -2.436
   12    H    GLY   2           H        GLY   2  16.132  -8.339  -5.211
   13   1HA   GLY   2          2HA       GLY   2  15.137  -7.111  -7.120
   14   2HA   GLY   2          1HA       GLY   2  15.161  -8.639  -7.986
   15    H    GLN   3           H        GLN   3  14.367  -9.203  -4.775
   16    HA   GLN   3           HA       GLN   3  11.622  -9.743  -5.483
   17   1HB   GLN   3          2HB       GLN   3  12.703  -9.954  -2.696
   18   2HB   GLN   3          1HB       GLN   3  11.473 -10.933  -3.484
   19   1HG   GLN   3          2HG       GLN   3  13.559 -11.552  -5.030
   20   2HG   GLN   3          1HG       GLN   3  14.415 -11.171  -3.537
   21   1HE2  GLN   3          1HE2      GLN   3  15.027 -13.170  -2.934
   22   2HE2  GLN   3          2HE2      GLN   3  13.935 -14.454  -2.556
   23    H    VAL   4           H        VAL   4   9.790  -8.801  -4.558
   24    HA   VAL   4           HA       VAL   4  10.236  -6.355  -2.992
   25    HB   VAL   4           HB       VAL   4   8.515  -5.169  -4.279
   26   1HG1  VAL   4          1HG1      VAL   4  10.408  -4.419  -5.209
   27   2HG1  VAL   4          2HG1      VAL   4   9.933  -5.409  -6.590
   28   3HG1  VAL   4          3HG1      VAL   4  11.074  -6.042  -5.402
   29   1HG2  VAL   4          1HG2      VAL   4   8.365  -7.771  -5.715
   30   2HG2  VAL   4          2HG2      VAL   4   8.063  -6.283  -6.613
   31   3HG2  VAL   4          3HG2      VAL   4   7.071  -6.681  -5.208
   32    H    VAL   5           H        VAL   5   8.634  -5.787  -1.570
   33    HA   VAL   5           HA       VAL   5   6.679  -7.881  -0.947
   34    HB   VAL   5           HB       VAL   5   6.409  -6.768   1.213
   35   1HG1  VAL   5          1HG1      VAL   5   9.045  -7.678   0.259
   36   2HG1  VAL   5          2HG1      VAL   5   8.052  -8.266   1.593
   37   3HG1  VAL   5          3HG1      VAL   5   9.036  -6.816   1.798
   38   1HG2  VAL   5          1HG2      VAL   5   8.487  -4.799   0.258
   39   2HG2  VAL   5          2HG2      VAL   5   7.717  -4.832   1.845
   40   3HG2  VAL   5          3HG2      VAL   5   6.762  -4.458   0.409
   41    H    GLN   6           H        GLN   6   4.532  -7.519  -1.217
   42    HA   GLN   6           HA       GLN   6   3.817  -4.891  -2.288
   43   1HB   GLN   6          2HB       GLN   6   2.514  -7.578  -2.687
   44   2HB   GLN   6          1HB       GLN   6   1.915  -6.069  -3.356
   45   1HG   GLN   6          2HG       GLN   6   3.181  -6.415  -5.128
   46   2HG   GLN   6          1HG       GLN   6   4.599  -6.194  -4.103
   47   1HE2  GLN   6          1HE2      GLN   6   5.479  -8.097  -3.066
   48   2HE2  GLN   6          2HE2      GLN   6   5.344  -9.629  -3.851
   49    H    PHE   7           H        PHE   7   1.986  -3.808  -1.703
   50    HA   PHE   7           HA       PHE   7   0.874  -4.533   0.906
   51   1HB   PHE   7          2HB       PHE   7   1.645  -2.313   0.999
   52   2HB   PHE   7          1HB       PHE   7   1.113  -1.959  -0.639
   53    HD1  PHE   7           1HD      PHE   7  -0.441  -0.285  -0.626
   54    HD2  PHE   7           2HD      PHE   7  -0.628  -3.282   2.387
   55    HE1  PHE   7           1HE      PHE   7  -2.500   0.730   0.249
   56    HE2  PHE   7           2HE      PHE   7  -2.687  -2.272   3.270
   57    HZ   PHE   7           HZ       PHE   7  -3.629  -0.261   2.202
   58    H    LYS   8           H        LYS   8  -0.964  -5.620   0.853
   59    HA   LYS   8           HA       LYS   8  -2.760  -5.271  -1.450
   60   1HB   LYS   8          2HB       LYS   8  -1.832  -7.492  -1.316
   61   2HB   LYS   8          1HB       LYS   8  -2.293  -7.630   0.372
   62   1HG   LYS   8          2HG       LYS   8  -4.706  -7.189  -0.721
   63   2HG   LYS   8          1HG       LYS   8  -3.897  -7.991  -2.069
   64   1HD   LYS   8          2HD       LYS   8  -4.275  -9.033   0.735
   65   2HD   LYS   8          1HD       LYS   8  -4.969  -9.676  -0.754
   66   1HE   LYS   8          2HE       LYS   8  -2.738 -10.284  -1.540
   67   2HE   LYS   8          1HE       LYS   8  -2.027  -9.612  -0.071
   68   1HZ   LYS   8          1HZ       LYS   8  -3.902 -11.365   0.843
   69   2HZ   LYS   8          2HZ       LYS   8  -2.237 -11.651   0.756
   70   3HZ   LYS   8          3HZ       LYS   8  -3.250 -12.165  -0.498
   71    H    LEU   9           H        LEU   9  -4.697  -4.417  -1.130
   72    HA   LEU   9           HA       LEU   9  -5.655  -3.465   1.320
   73   1HB   LEU   9          2HB       LEU   9  -6.361  -2.813  -1.036
   74   2HB   LEU   9          1HB       LEU   9  -7.323  -4.273  -1.076
   75    HG   LEU   9           HG       LEU   9  -8.847  -2.554  -0.612
   76   1HD1  LEU   9          1HD1      LEU   9  -8.845  -4.573   0.975
   77   2HD1  LEU   9          2HD1      LEU   9  -9.802  -3.161   1.411
   78   3HD1  LEU   9          3HD1      LEU   9  -8.243  -3.438   2.182
   79   1HD2  LEU   9          1HD2      LEU   9  -8.130  -0.594   0.094
   80   2HD2  LEU   9          2HD2      LEU   9  -6.603  -1.296   0.641
   81   3HD2  LEU   9          3HD2      LEU   9  -7.998  -1.265   1.722
   82    H    SER  10           H        SER  10  -6.201  -4.709   3.054
   83    HA   SER  10           HA       SER  10  -7.837  -7.092   2.573
   84   1HB   SER  10          2HB       SER  10  -5.531  -7.899   2.720
   85   2HB   SER  10          1HB       SER  10  -5.334  -7.088   4.273
   86    HG   SER  10           HG       SER  10  -7.281  -9.086   3.762
   87    H    ASP  11           H        ASP  11  -7.979  -4.281   3.901
   88    HA   ASP  11           HA       ASP  11  -8.713  -5.002   6.614
   89   1HB   ASP  11          2HB       ASP  11  -7.600  -2.764   5.651
   90   2HB   ASP  11          1HB       ASP  11  -9.293  -2.292   5.543
   91    H    ILE  12           H        ILE  12 -10.215  -4.710   3.559
   92    HA   ILE  12           HA       ILE  12 -12.854  -4.231   4.681
   93    HB   ILE  12           HB       ILE  12 -11.732  -4.276   1.901
   94   1HG1  ILE  12          2HG1      ILE  12 -13.648  -2.222   2.594
   95   2HG1  ILE  12          1HG1      ILE  12 -12.366  -2.326   3.796
   96   1HG2  ILE  12          1HG2      ILE  12 -14.671  -4.331   2.539
   97   2HG2  ILE  12          2HG2      ILE  12 -13.776  -5.615   1.731
   98   3HG2  ILE  12          3HG2      ILE  12 -13.972  -4.045   0.949
   99   1HD1  ILE  12          1HD1      ILE  12 -10.735  -1.714   2.302
  100   2HD1  ILE  12          2HD1      ILE  12 -12.111  -0.758   1.761
  101   3HD1  ILE  12          3HD1      ILE  12 -11.672  -2.233   0.901
  102    H    GLY  13           H        GLY  13 -14.670  -5.604   4.002
  103   1HA   GLY  13          2HA       GLY  13 -14.160  -8.338   4.650
  104   2HA   GLY  13          1HA       GLY  13 -15.716  -7.639   4.235
  105    H    GLU  14           H        GLU  14 -15.273 -10.100   3.351
  106    HA   GLU  14           HA       GLU  14 -13.979 -10.307   0.845
  107   1HB   GLU  14          2HB       GLU  14 -14.779 -12.141   2.546
  108   2HB   GLU  14          1HB       GLU  14 -16.257 -12.096   1.593
  109   1HG   GLU  14          2HG       GLU  14 -15.317 -13.131  -0.162
  110   2HG   GLU  14          1HG       GLU  14 -13.774 -12.303   0.039
  111    H    GLY  15           H        GLY  15 -17.228  -9.343   1.764
  112   1HA   GLY  15          2HA       GLY  15 -17.717  -8.652  -1.043
  113   2HA   GLY  15          1HA       GLY  15 -18.880  -9.697  -0.246
  114    H    ILE  16           H        ILE  16 -17.171  -6.663   0.568
  115    HA   ILE  16           HA       ILE  16 -19.786  -5.441   1.084
  116    HB   ILE  16           HB       ILE  16 -19.059  -4.457   3.130
  117   1HG1  ILE  16          2HG1      ILE  16 -16.480  -5.848   3.352
  118   2HG1  ILE  16          1HG1      ILE  16 -16.511  -4.589   2.124
  119   1HG2  ILE  16          1HG2      ILE  16 -18.376  -6.579   4.434
  120   2HG2  ILE  16          2HG2      ILE  16 -18.571  -7.391   2.880
  121   3HG2  ILE  16          3HG2      ILE  16 -19.934  -6.541   3.608
  122   1HD1  ILE  16          1HD1      ILE  16 -16.550  -4.381   5.040
  123   2HD1  ILE  16          2HD1      ILE  16 -17.677  -3.312   4.205
  124   3HD1  ILE  16          3HD1      ILE  16 -15.956  -3.251   3.823
  125    H    ARG  17           H        ARG  17 -18.523  -2.969   2.050
  126    HA   ARG  17           HA       ARG  17 -18.018  -1.747  -0.490
  127   1HB   ARG  17          2HB       ARG  17 -19.092  -0.824   1.789
  128   2HB   ARG  17          1HB       ARG  17 -17.436  -0.287   2.034
  129   1HG   ARG  17          2HG       ARG  17 -18.173   0.395  -0.613
  130   2HG   ARG  17          1HG       ARG  17 -19.478   0.899   0.463
  131   1HD   ARG  17          2HD       ARG  17 -18.087   2.306   1.692
  132   2HD   ARG  17          1HD       ARG  17 -16.622   1.501   1.132
  133    HE   ARG  17           HE       ARG  17 -16.643   2.824  -0.747
  134   1HH1  ARG  17          1HH1      ARG  17 -19.682   3.124   0.927
  135   2HH1  ARG  17          2HH1      ARG  17 -20.232   4.451  -0.041
  136   1HH2  ARG  17          1HH2      ARG  17 -17.358   4.570  -2.028
  137   2HH2  ARG  17          2HH2      ARG  17 -18.912   5.272  -1.721
  138    H    GLU  18           H        GLU  18 -16.100  -0.856  -1.246
  139    HA   GLU  18           HA       GLU  18 -13.679  -1.923   0.006
  140   1HB   GLU  18          2HB       GLU  18 -14.153  -0.835  -2.772
  141   2HB   GLU  18          1HB       GLU  18 -12.606  -1.438  -2.187
  142   1HG   GLU  18          2HG       GLU  18 -15.149  -3.039  -2.399
  143   2HG   GLU  18          1HG       GLU  18 -13.804  -3.092  -3.539
  144    H    VAL  19           H        VAL  19 -11.635  -0.371  -0.431
  145    HA   VAL  19           HA       VAL  19 -12.547   2.310   0.438
  146    HB   VAL  19           HB       VAL  19 -11.609   1.024   2.310
  147   1HG1  VAL  19          1HG1      VAL  19  -9.944  -0.190   0.796
  148   2HG1  VAL  19          2HG1      VAL  19  -9.388   0.294   2.398
  149   3HG1  VAL  19          3HG1      VAL  19  -8.929   1.240   0.982
  150   1HG2  VAL  19          1HG2      VAL  19  -9.965   3.400   1.448
  151   2HG2  VAL  19          2HG2      VAL  19 -10.050   2.756   3.088
  152   3HG2  VAL  19          3HG2      VAL  19 -11.488   3.448   2.336
  153    H    THR  20           H        THR  20 -11.403   4.115  -0.086
  154    HA   THR  20           HA       THR  20  -9.708   3.883  -2.467
  155    HB   THR  20           HB       THR  20 -10.501   6.562  -1.502
  156    HG1  THR  20           1HG      THR  20 -12.656   6.250  -2.362
  157   1HG2  THR  20          1HG2      THR  20 -10.956   6.918  -3.879
  158   2HG2  THR  20          2HG2      THR  20 -10.672   5.210  -4.196
  159   3HG2  THR  20          3HG2      THR  20  -9.351   6.231  -3.635
  160    H    VAL  21           H        VAL  21  -7.884   5.379  -2.670
  161    HA   VAL  21           HA       VAL  21  -6.272   5.368  -0.268
  162    HB   VAL  21           HB       VAL  21  -5.623   6.446  -3.020
  163   1HG1  VAL  21          1HG1      VAL  21  -3.259   5.799  -1.781
  164   2HG1  VAL  21          2HG1      VAL  21  -4.204   6.516  -0.476
  165   3HG1  VAL  21          3HG1      VAL  21  -3.918   7.425  -1.961
  166   1HG2  VAL  21          1HG2      VAL  21  -5.334   3.759  -1.751
  167   2HG2  VAL  21          2HG2      VAL  21  -4.130   4.296  -2.923
  168   3HG2  VAL  21          3HG2      VAL  21  -5.826   4.182  -3.391
  169    H    LYS  22           H        LYS  22  -6.459   6.940   1.198
  170    HA   LYS  22           HA       LYS  22  -7.626   9.480   0.525
  171   1HB   LYS  22          2HB       LYS  22  -8.080   8.328   2.673
  172   2HB   LYS  22          1HB       LYS  22  -6.404   8.587   3.138
  173   1HG   LYS  22          2HG       LYS  22  -6.719  10.783   3.582
  174   2HG   LYS  22          1HG       LYS  22  -7.936  10.976   2.319
  175   1HD   LYS  22          2HD       LYS  22  -9.197   9.292   4.056
  176   2HD   LYS  22          1HD       LYS  22  -8.248  10.297   5.153
  177   1HE   LYS  22          2HE       LYS  22  -9.353  12.228   4.555
  178   2HE   LYS  22          1HE       LYS  22  -9.814  11.599   2.974
  179   1HZ   LYS  22          1HZ       LYS  22 -11.426  10.167   4.032
  180   2HZ   LYS  22          2HZ       LYS  22 -11.705  11.772   4.489
  181   3HZ   LYS  22          3HZ       LYS  22 -10.957  10.705   5.567
  182    H    GLU  23           H        GLU  23  -4.387   8.263   1.080
  183    HA   GLU  23           HA       GLU  23  -3.360  10.898   0.317
  184   1HB   GLU  23          2HB       GLU  23  -3.293  10.102   2.935
  185   2HB   GLU  23          1HB       GLU  23  -1.724   9.559   2.355
  186   1HG   GLU  23          2HG       GLU  23  -2.314  12.244   1.465
  187   2HG   GLU  23          1HG       GLU  23  -2.393  12.103   3.220
  188    H    TRP  24           H        TRP  24  -1.478  10.895  -0.841
  189    HA   TRP  24           HA       TRP  24  -0.132   8.339  -1.325
  190   1HB   TRP  24          2HB       TRP  24  -1.675   9.925  -3.283
  191   2HB   TRP  24          1HB       TRP  24  -0.085   9.411  -3.834
  192    HD1  TRP  24           HD       TRP  24  -3.323   8.314  -4.385
  193    HE1  TRP  24           1HE      TRP  24  -3.561   5.758  -4.558
  194    HE3  TRP  24           3HE      TRP  24   1.090   6.954  -2.226
  195    HZ2  TRP  24           2HZ      TRP  24  -2.069   3.466  -3.871
  196    HZ3  TRP  24           3HZ      TRP  24   1.616   4.562  -2.023
  197    HH2  TRP  24           HH       TRP  24   0.068   2.853  -2.828
  198    H    TYR  25           H        TYR  25   1.938   8.679  -0.807
  199    HA   TYR  25           HA       TYR  25   3.069  11.345  -1.350
  200   1HB   TYR  25          2HB       TYR  25   2.944   9.988   1.046
  201   2HB   TYR  25          1HB       TYR  25   4.585   9.666   0.498
  202    HD1  TYR  25           1HD      TYR  25   2.565  12.739  -0.048
  203    HD2  TYR  25           2HD      TYR  25   5.877  10.974   1.955
  204    HE1  TYR  25           1HE      TYR  25   3.263  14.961   0.743
  205    HE2  TYR  25           2HE      TYR  25   6.582  13.190   2.754
  206    HH   TYR  25           HH       TYR  25   5.261  15.496   3.196
  207    H    VAL  26           H        VAL  26   3.182   8.177  -2.438
  208    HA   VAL  26           HA       VAL  26   5.835   8.656  -3.618
  209    HB   VAL  26           HB       VAL  26   6.312   6.245  -3.487
  210   1HG1  VAL  26          1HG1      VAL  26   6.371   8.118  -1.407
  211   2HG1  VAL  26          2HG1      VAL  26   7.350   6.660  -1.569
  212   3HG1  VAL  26          3HG1      VAL  26   5.828   6.606  -0.680
  213   1HG2  VAL  26          1HG2      VAL  26   4.797   5.050  -1.708
  214   2HG2  VAL  26          2HG2      VAL  26   4.334   5.084  -3.409
  215   3HG2  VAL  26          3HG2      VAL  26   3.593   6.209  -2.270
  216    H    LYS  27           H        LYS  27   6.217   7.542  -5.657
  217    HA   LYS  27           HA       LYS  27   3.743   6.856  -7.099
  218   1HB   LYS  27          2HB       LYS  27   5.409   9.109  -7.540
  219   2HB   LYS  27          1HB       LYS  27   5.640   8.015  -8.898
  220   1HG   LYS  27          2HG       LYS  27   3.246   7.992  -9.311
  221   2HG   LYS  27          1HG       LYS  27   2.984   9.045  -7.920
  222   1HD   LYS  27          2HD       LYS  27   4.530  10.701  -9.069
  223   2HD   LYS  27          1HD       LYS  27   4.378   9.689 -10.508
  224   1HE   LYS  27          2HE       LYS  27   1.775   9.993  -9.780
  225   2HE   LYS  27          1HE       LYS  27   2.457  11.540  -9.281
  226   1HZ   LYS  27          1HZ       LYS  27   2.028  10.482 -11.939
  227   2HZ   LYS  27          2HZ       LYS  27   3.521  11.246 -11.719
  228   3HZ   LYS  27          3HZ       LYS  27   2.088  12.087 -11.408
  229    H    GLU  28           H        GLU  28   4.209   5.737  -9.201
  230    HA   GLU  28           HA       GLU  28   5.540   3.342  -8.806
  231   1HB   GLU  28          2HB       GLU  28   5.302   4.500 -11.566
  232   2HB   GLU  28          1HB       GLU  28   5.098   2.835 -11.046
  233   1HG   GLU  28          2HG       GLU  28   3.042   3.752  -9.764
  234   2HG   GLU  28          1HG       GLU  28   3.187   5.119 -10.867
  235    H    GLY  29           H        GLY  29   7.591   2.584  -9.148
  236   1HA   GLY  29          2HA       GLY  29   9.832   2.599  -9.690
  237   2HA   GLY  29          1HA       GLY  29   9.519   3.984 -10.723
  238    H    ASP  30           H        ASP  30   8.339   4.679  -7.689
  239    HA   ASP  30           HA       ASP  30  10.688   6.322  -7.114
  240   1HB   ASP  30          2HB       ASP  30   8.086   7.025  -7.206
  241   2HB   ASP  30          1HB       ASP  30   8.224   6.626  -5.495
  242    H    THR  31           H        THR  31  11.524   6.508  -4.984
  243    HA   THR  31           HA       THR  31  11.305   4.006  -3.473
  244    HB   THR  31           HB       THR  31  13.382   6.174  -3.141
  245    HG1  THR  31           1HG      THR  31  14.026   5.432  -5.032
  246   1HG2  THR  31          1HG2      THR  31  13.668   3.280  -2.410
  247   2HG2  THR  31          2HG2      THR  31  12.885   4.412  -1.309
  248   3HG2  THR  31          3HG2      THR  31  14.558   4.675  -1.799
  249    H    VAL  32           H        VAL  32  10.834   3.960  -1.300
  250    HA   VAL  32           HA       VAL  32   9.573   6.379  -0.238
  251    HB   VAL  32           HB       VAL  32   9.050   4.277   1.549
  252   1HG1  VAL  32          1HG1      VAL  32   6.928   4.971   1.279
  253   2HG1  VAL  32          2HG1      VAL  32   7.016   4.903  -0.481
  254   3HG1  VAL  32          3HG1      VAL  32   7.700   6.279   0.383
  255   1HG2  VAL  32          1HG2      VAL  32   8.795   3.354  -1.304
  256   2HG2  VAL  32          2HG2      VAL  32   7.892   2.643   0.031
  257   3HG2  VAL  32          3HG2      VAL  32   9.654   2.562   0.018
  258    H    SER  33           H        SER  33   9.798   6.804   2.093
  259    HA   SER  33           HA       SER  33  12.382   5.914   3.176
  260   1HB   SER  33          2HB       SER  33  11.358   8.742   2.940
  261   2HB   SER  33          1HB       SER  33  12.630   8.293   4.076
  262    HG   SER  33           HG       SER  33  13.002   8.968   1.635
  263    H    GLN  34           H        GLN  34  12.576   6.533   5.555
  264    HA   GLN  34           HA       GLN  34  10.524   5.315   7.004
  265   1HB   GLN  34          2HB       GLN  34  12.995   6.790   7.641
  266   2HB   GLN  34          1HB       GLN  34  11.778   6.801   8.909
  267   1HG   GLN  34          2HG       GLN  34  11.923   4.544   9.264
  268   2HG   GLN  34          1HG       GLN  34  12.490   4.213   7.627
  269   1HE2  GLN  34          1HE2      GLN  34  13.676   6.467  10.088
  270   2HE2  GLN  34          2HE2      GLN  34  15.272   5.811  10.170
  271    H    PHE  35           H        PHE  35  10.916   8.589   5.979
  272    HA   PHE  35           HA       PHE  35   8.741   9.474   7.738
  273   1HB   PHE  35          2HB       PHE  35  10.698  11.047   6.058
  274   2HB   PHE  35          1HB       PHE  35   9.403  11.766   7.010
  275    HD1  PHE  35           1HD      PHE  35   9.400  10.992   9.557
  276    HD2  PHE  35           2HD      PHE  35  12.786  10.960   6.979
  277    HE1  PHE  35           1HE      PHE  35  10.887  11.059  11.516
  278    HE2  PHE  35           2HE      PHE  35  14.280  11.026   8.933
  279    HZ   PHE  35           HZ       PHE  35  13.331  11.076  11.205
  280    H    ASP  36           H        ASP  36   9.392   8.591   4.493
  281    HA   ASP  36           HA       ASP  36   7.055  10.047   3.500
  282   1HB   ASP  36          2HB       ASP  36   9.550   9.161   2.333
  283   2HB   ASP  36          1HB       ASP  36   8.178   8.593   1.386
  284    H    SER  37           H        SER  37   5.366   8.850   4.352
  285    HA   SER  37           HA       SER  37   5.138   6.052   4.296
  286   1HB   SER  37          2HB       SER  37   2.702   6.449   4.597
  287   2HB   SER  37          1HB       SER  37   3.681   7.419   5.698
  288    HG   SER  37           HG       SER  37   2.242   8.223   3.417
  289    H    ILE  38           H        ILE  38   3.639   4.765   2.945
  290    HA   ILE  38           HA       ILE  38   4.046   5.443   0.147
  291    HB   ILE  38           HB       ILE  38   2.811   2.984   1.393
  292   1HG1  ILE  38          2HG1      ILE  38   5.587   3.759   0.562
  293   2HG1  ILE  38          1HG1      ILE  38   5.055   2.954   2.030
  294   1HG2  ILE  38          1HG2      ILE  38   1.936   3.118  -0.791
  295   2HG2  ILE  38          2HG2      ILE  38   3.301   2.016  -0.921
  296   3HG2  ILE  38          3HG2      ILE  38   3.463   3.683  -1.466
  297   1HD1  ILE  38          1HD1      ILE  38   6.225   1.339   0.830
  298   2HD1  ILE  38          2HD1      ILE  38   5.470   1.801  -0.695
  299   3HD1  ILE  38          3HD1      ILE  38   4.526   0.962   0.536
  300    H    CYS  39           H        CYS  39   1.174   4.062   1.751
  301    HA   CYS  39           HA       CYS  39  -0.440   6.202   0.604
  302   1HB   CYS  39          2HB       CYS  39  -1.294   4.928  -1.020
  303   2HB   CYS  39          1HB       CYS  39  -0.293   3.584  -0.509
  304    HG   CYS  39           HG       CYS  39  -3.114   2.973  -0.912
  305    H    GLU  40           H        GLU  40  -2.602   6.318   1.499
  306    HA   GLU  40           HA       GLU  40  -2.964   4.932   4.055
  307   1HB   GLU  40          2HB       GLU  40  -3.229   7.923   3.672
  308   2HB   GLU  40          1HB       GLU  40  -3.641   7.042   5.137
  309   1HG   GLU  40          2HG       GLU  40  -1.528   6.987   5.829
  310   2HG   GLU  40          1HG       GLU  40  -0.923   6.535   4.235
  311    H    VAL  41           H        VAL  41  -4.949   4.091   4.162
  312    HA   VAL  41           HA       VAL  41  -7.035   5.277   2.451
  313    HB   VAL  41           HB       VAL  41  -8.033   3.086   2.210
  314   1HG1  VAL  41          1HG1      VAL  41  -5.374   3.752   1.304
  315   2HG1  VAL  41          2HG1      VAL  41  -6.696   2.976   0.432
  316   3HG1  VAL  41          3HG1      VAL  41  -5.593   2.005   1.407
  317   1HG2  VAL  41          1HG2      VAL  41  -7.400   2.208   4.428
  318   2HG2  VAL  41          2HG2      VAL  41  -5.739   2.032   3.862
  319   3HG2  VAL  41          3HG2      VAL  41  -7.028   1.081   3.124
  320    H    GLN  42           H        GLN  42  -9.096   5.526   3.258
  321    HA   GLN  42           HA       GLN  42  -9.499   4.868   6.096
  322   1HB   GLN  42          2HB       GLN  42  -9.574   7.529   4.796
  323   2HB   GLN  42          1HB       GLN  42 -10.859   7.189   5.947
  324   1HG   GLN  42          2HG       GLN  42  -9.430   7.924   7.485
  325   2HG   GLN  42          1HG       GLN  42  -8.645   6.356   7.308
  326   1HE2  GLN  42          1HE2      GLN  42  -7.282   8.588   8.185
  327   2HE2  GLN  42          2HE2      GLN  42  -6.122   9.053   6.992
  328    H    SER  43           H        SER  43 -11.446   4.047   6.583
  329    HA   SER  43           HA       SER  43 -13.603   4.276   4.599
  330   1HB   SER  43          2HB       SER  43 -12.168   1.892   5.298
  331   2HB   SER  43          1HB       SER  43 -13.838   1.737   5.842
  332    HG   SER  43           HG       SER  43 -14.412   1.503   3.844
  333    H    ASP  44           H        ASP  44 -15.725   4.143   5.439
  334    HA   ASP  44           HA       ASP  44 -16.187   5.426   7.840
  335   1HB   ASP  44          2HB       ASP  44 -17.852   3.828   5.970
  336   2HB   ASP  44          1HB       ASP  44 -18.510   4.096   7.581
  337    H    LYS  45           H        LYS  45 -15.632   2.051   7.216
  338    HA   LYS  45           HA       LYS  45 -16.579   1.135   9.767
  339   1HB   LYS  45          2HB       LYS  45 -16.602  -0.372   7.860
  340   2HB   LYS  45          1HB       LYS  45 -14.861  -0.210   7.675
  341   1HG   LYS  45          2HG       LYS  45 -15.437  -1.057  10.338
  342   2HG   LYS  45          1HG       LYS  45 -16.284  -2.102   9.196
  343   1HD   LYS  45          2HD       LYS  45 -13.335  -1.457   9.185
  344   2HD   LYS  45          1HD       LYS  45 -14.069  -2.985   9.677
  345   1HE   LYS  45          2HE       LYS  45 -13.901  -1.778   6.933
  346   2HE   LYS  45          1HE       LYS  45 -13.316  -3.348   7.483
  347   1HZ   LYS  45          1HZ       LYS  45 -15.892  -3.627   7.985
  348   2HZ   LYS  45          2HZ       LYS  45 -15.211  -4.020   6.487
  349   3HZ   LYS  45          3HZ       LYS  45 -15.999  -2.538   6.694
  350    H    ALA  46           H        ALA  46 -13.314   1.181   8.321
  351    HA   ALA  46           HA       ALA  46 -12.207   2.045  10.873
  352   1HB   ALA  46          1HB       ALA  46 -10.475   0.224  10.773
  353   2HB   ALA  46          2HB       ALA  46 -11.484  -0.565   9.561
  354   3HB   ALA  46          3HB       ALA  46 -12.105  -0.304  11.192
  355    H    SER  47           H        SER  47  -9.961   2.716  10.715
  356    HA   SER  47           HA       SER  47  -9.340   3.709   8.024
  357   1HB   SER  47          2HB       SER  47  -9.351   5.586   9.363
  358   2HB   SER  47          1HB       SER  47  -8.801   4.704  10.787
  359    HG   SER  47           HG       SER  47  -6.914   5.468  10.303
  360    H    VAL  48           H        VAL  48  -7.442   3.246   7.010
  361    HA   VAL  48           HA       VAL  48  -5.466   1.633   8.471
  362    HB   VAL  48           HB       VAL  48  -6.018   0.956   5.613
  363   1HG1  VAL  48          1HG1      VAL  48  -5.018  -1.093   6.142
  364   2HG1  VAL  48          2HG1      VAL  48  -5.277  -0.876   7.873
  365   3HG1  VAL  48          3HG1      VAL  48  -4.072   0.100   7.032
  366   1HG2  VAL  48          1HG2      VAL  48  -8.225   0.898   6.725
  367   2HG2  VAL  48          2HG2      VAL  48  -7.570  -0.222   7.920
  368   3HG2  VAL  48          3HG2      VAL  48  -7.673  -0.700   6.226
  369    H    THR  49           H        THR  49  -3.660   2.778   8.466
  370    HA   THR  49           HA       THR  49  -2.934   4.283   6.038
  371    HB   THR  49           HB       THR  49  -1.592   5.746   7.450
  372    HG1  THR  49           1HG      THR  49  -1.053   5.137   9.402
  373   1HG2  THR  49          1HG2      THR  49  -3.840   6.486   7.179
  374   2HG2  THR  49          2HG2      THR  49  -3.441   6.705   8.882
  375   3HG2  THR  49          3HG2      THR  49  -4.434   5.338   8.378
  376    H    ILE  50           H        ILE  50  -1.092   3.747   4.993
  377    HA   ILE  50           HA       ILE  50   0.546   1.630   6.194
  378    HB   ILE  50           HB       ILE  50   0.507   2.506   3.309
  379   1HG1  ILE  50          2HG1      ILE  50  -1.693   1.669   3.916
  380   2HG1  ILE  50          1HG1      ILE  50  -0.862   0.467   2.932
  381   1HG2  ILE  50          1HG2      ILE  50   2.314   0.931   4.718
  382   2HG2  ILE  50          2HG2      ILE  50   2.143   1.037   2.966
  383   3HG2  ILE  50          3HG2      ILE  50   1.288  -0.219   3.860
  384   1HD1  ILE  50          1HD1      ILE  50  -1.234  -1.039   4.504
  385   2HD1  ILE  50          2HD1      ILE  50  -2.000   0.184   5.517
  386   3HD1  ILE  50          3HD1      ILE  50  -0.262  -0.095   5.633
  387    H    THR  51           H        THR  51   2.180   2.443   7.309
  388    HA   THR  51           HA       THR  51   3.589   4.826   6.446
  389    HB   THR  51           HB       THR  51   5.066   4.033   8.523
  390    HG1  THR  51           1HG      THR  51   3.740   2.065   8.679
  391   1HG2  THR  51          1HG2      THR  51   2.595   5.611   8.263
  392   2HG2  THR  51          2HG2      THR  51   4.155   6.052   8.958
  393   3HG2  THR  51          3HG2      THR  51   2.999   5.118   9.908
  394    H    SER  52           H        SER  52   6.148   4.527   6.903
  395    HA   SER  52           HA       SER  52   6.938   2.419   5.026
  396   1HB   SER  52          2HB       SER  52   8.667   4.746   5.840
  397   2HB   SER  52          1HB       SER  52   8.774   3.749   4.390
  398    HG   SER  52           HG       SER  52   7.690   5.374   3.575
  399    H    ARG  53           H        ARG  53   8.683   4.098   7.647
  400    HA   ARG  53           HA       ARG  53   9.739   3.302   9.505
  401   1HB   ARG  53          2HB       ARG  53   9.225   1.287  10.432
  402   2HB   ARG  53          1HB       ARG  53   7.896   1.401   9.295
  403   1HG   ARG  53          2HG       ARG  53   8.471  -0.588   8.522
  404   2HG   ARG  53          1HG       ARG  53   9.967   0.107   7.908
  405   1HD   ARG  53          2HD       ARG  53   9.506  -1.171  10.596
  406   2HD   ARG  53          1HD       ARG  53  10.503  -1.784   9.279
  407    HE   ARG  53           HE       ARG  53  11.440   0.750  10.058
  408   1HH1  ARG  53          1HH1      ARG  53  11.255  -2.521  11.232
  409   2HH1  ARG  53          2HH1      ARG  53  12.702  -2.402  12.175
  410   1HH2  ARG  53          1HH2      ARG  53  13.349   0.920  11.295
  411   2HH2  ARG  53          2HH2      ARG  53  13.893  -0.445  12.213
  412    H    TYR  54           H        TYR  54  10.417   2.517   6.320
  413    HA   TYR  54           HA       TYR  54  13.225   2.525   6.756
  414   1HB   TYR  54          2HB       TYR  54  11.854  -0.033   6.544
  415   2HB   TYR  54          1HB       TYR  54  13.019   0.183   5.241
  416    HD1  TYR  54           1HD      TYR  54  12.903  -1.655   7.883
  417    HD2  TYR  54           2HD      TYR  54  15.082   1.798   6.686
  418    HE1  TYR  54           1HE      TYR  54  14.724  -2.282   9.413
  419    HE2  TYR  54           2HE      TYR  54  16.909   1.180   8.212
  420    HH   TYR  54           HH       TYR  54  17.753  -0.482   9.506
  421    H    ASP  55           H        ASP  55  14.341   2.157   4.508
  422    HA   ASP  55           HA       ASP  55  12.706   3.642   2.596
  423   1HB   ASP  55          2HB       ASP  55  15.635   3.079   2.238
  424   2HB   ASP  55          1HB       ASP  55  14.681   4.421   1.611
  425    H    GLY  56           H        GLY  56  11.791   2.679   0.944
  426   1HA   GLY  56          2HA       GLY  56  13.021   0.224  -0.136
  427   2HA   GLY  56          1HA       GLY  56  11.303   0.279   0.228
  428    H    VAL  57           H        VAL  57  12.178  -0.380  -2.298
  429    HA   VAL  57           HA       VAL  57  11.787   2.060  -3.890
  430    HB   VAL  57           HB       VAL  57  12.693  -0.665  -4.821
  431   1HG1  VAL  57          1HG1      VAL  57  12.369   0.081  -6.882
  432   2HG1  VAL  57          2HG1      VAL  57  13.456   1.434  -6.567
  433   3HG1  VAL  57          3HG1      VAL  57  11.730   1.596  -6.243
  434   1HG2  VAL  57          1HG2      VAL  57  14.230   0.650  -3.248
  435   2HG2  VAL  57          2HG2      VAL  57  14.417   1.780  -4.590
  436   3HG2  VAL  57          3HG2      VAL  57  14.904   0.096  -4.781
  437    H    ILE  58           H        ILE  58   9.869   2.467  -4.734
  438    HA   ILE  58           HA       ILE  58   7.898   0.304  -4.976
  439    HB   ILE  58           HB       ILE  58   7.391   3.265  -5.268
  440   1HG1  ILE  58          2HG1      ILE  58   7.090   1.565  -2.792
  441   2HG1  ILE  58          1HG1      ILE  58   8.404   2.703  -3.066
  442   1HG2  ILE  58          1HG2      ILE  58   5.089   2.371  -4.414
  443   2HG2  ILE  58          2HG2      ILE  58   5.687   0.826  -5.026
  444   3HG2  ILE  58          3HG2      ILE  58   5.528   2.203  -6.117
  445   1HD1  ILE  58          1HD1      ILE  58   6.426   3.441  -1.626
  446   2HD1  ILE  58          2HD1      ILE  58   5.551   3.584  -3.151
  447   3HD1  ILE  58          3HD1      ILE  58   7.005   4.543  -2.874
  448    H    LYS  59           H        LYS  59   7.362  -0.481  -6.912
  449    HA   LYS  59           HA       LYS  59   8.527   0.797  -9.261
  450   1HB   LYS  59          2HB       LYS  59   7.594  -1.566 -10.186
  451   2HB   LYS  59          1HB       LYS  59   9.205  -1.320  -9.547
  452   1HG   LYS  59          2HG       LYS  59   8.371  -2.083  -7.336
  453   2HG   LYS  59          1HG       LYS  59   6.825  -2.457  -8.104
  454   1HD   LYS  59          2HD       LYS  59   8.301  -4.430  -7.901
  455   2HD   LYS  59          1HD       LYS  59   7.895  -4.044  -9.575
  456   1HE   LYS  59          2HE       LYS  59  10.300  -4.628  -9.186
  457   2HE   LYS  59          1HE       LYS  59  10.030  -3.063  -9.951
  458   1HZ   LYS  59          1HZ       LYS  59  10.769  -1.946  -8.142
  459   2HZ   LYS  59          2HZ       LYS  59  11.654  -3.368  -7.908
  460   3HZ   LYS  59          3HZ       LYS  59  10.226  -3.109  -7.039
  461    H    LYS  60           H        LYS  60   5.364  -0.538  -8.248
  462    HA   LYS  60           HA       LYS  60   4.160   1.229 -10.242
  463   1HB   LYS  60          2HB       LYS  60   2.965  -0.417 -11.372
  464   2HB   LYS  60          1HB       LYS  60   4.547  -1.147 -11.147
  465   1HG   LYS  60          2HG       LYS  60   2.168  -1.676  -9.377
  466   2HG   LYS  60          1HG       LYS  60   2.646  -2.687 -10.741
  467   1HD   LYS  60          2HD       LYS  60   4.263  -2.118  -8.257
  468   2HD   LYS  60          1HD       LYS  60   3.487  -3.641  -8.691
  469   1HE   LYS  60          2HE       LYS  60   5.782  -2.297 -10.104
  470   2HE   LYS  60          1HE       LYS  60   5.827  -3.806  -9.193
  471   1HZ   LYS  60          1HZ       LYS  60   4.972  -3.318 -11.904
  472   2HZ   LYS  60          2HZ       LYS  60   3.918  -4.302 -11.019
  473   3HZ   LYS  60          3HZ       LYS  60   5.542  -4.741 -11.188
  474    H    LEU  61           H        LEU  61   2.195   2.017  -9.778
  475    HA   LEU  61           HA       LEU  61   0.878   1.096  -7.316
  476   1HB   LEU  61          2HB       LEU  61   1.326   3.932  -8.248
  477   2HB   LEU  61          1HB       LEU  61   0.205   3.500  -6.971
  478    HG   LEU  61           HG       LEU  61   2.908   2.454  -6.539
  479   1HD1  LEU  61          1HD1      LEU  61   2.698   5.367  -6.057
  480   2HD1  LEU  61          2HD1      LEU  61   3.047   4.838  -7.703
  481   3HD1  LEU  61          3HD1      LEU  61   4.115   4.367  -6.380
  482   1HD2  LEU  61          1HD2      LEU  61   2.398   2.806  -4.363
  483   2HD2  LEU  61          2HD2      LEU  61   0.760   2.756  -5.016
  484   3HD2  LEU  61          3HD2      LEU  61   1.534   4.308  -4.691
  485    H    TYR  62           H        TYR  62  -0.841   0.052  -8.089
  486    HA   TYR  62           HA       TYR  62  -2.128   0.675 -10.528
  487   1HB   TYR  62          2HB       TYR  62  -2.040  -1.502  -8.899
  488   2HB   TYR  62          1HB       TYR  62  -3.667  -0.907  -8.587
  489    HD1  TYR  62           1HD      TYR  62  -5.371  -1.005 -10.284
  490    HD2  TYR  62           2HD      TYR  62  -1.399  -2.261 -11.143
  491    HE1  TYR  62           1HE      TYR  62  -6.162  -2.068 -12.354
  492    HE2  TYR  62           2HE      TYR  62  -2.178  -3.326 -13.218
  493    HH   TYR  62           HH       TYR  62  -3.919  -3.495 -14.666
  494    H    TYR  63           H        TYR  63  -3.134   1.251  -7.143
  495    HA   TYR  63           HA       TYR  63  -5.391   2.806  -8.209
  496   1HB   TYR  63          2HB       TYR  63  -4.961   1.602  -5.472
  497   2HB   TYR  63          1HB       TYR  63  -6.361   2.560  -5.929
  498    HD1  TYR  63           1HD      TYR  63  -5.917  -0.495  -5.032
  499    HD2  TYR  63           2HD      TYR  63  -6.808   1.489  -8.689
  500    HE1  TYR  63           1HE      TYR  63  -7.025  -2.528  -5.858
  501    HE2  TYR  63           2HE      TYR  63  -7.919  -0.538  -9.525
  502    HH   TYR  63           HH       TYR  63  -7.498  -3.455  -8.423
  503    H    ASN  64           H        ASN  64  -5.592   4.927  -7.892
  504    HA   ASN  64           HA       ASN  64  -3.476   6.315  -6.425
  505   1HB   ASN  64          2HB       ASN  64  -5.576   7.489  -8.254
  506   2HB   ASN  64          1HB       ASN  64  -4.133   8.299  -7.641
  507   1HD2  ASN  64          1HD2      ASN  64  -2.145   7.835  -8.545
  508   2HD2  ASN  64          2HD2      ASN  64  -1.976   6.975 -10.033
  509    H    LEU  65           H        LEU  65  -4.692   8.690  -5.904
  510    HA   LEU  65           HA       LEU  65  -5.853   8.331  -3.429
  511   1HB   LEU  65          2HB       LEU  65  -5.516  10.566  -5.340
  512   2HB   LEU  65          1HB       LEU  65  -6.666  10.796  -4.046
  513    HG   LEU  65           HG       LEU  65  -3.914   9.847  -3.402
  514   1HD1  LEU  65          1HD1      LEU  65  -3.450  12.374  -3.039
  515   2HD1  LEU  65          2HD1      LEU  65  -4.706  12.596  -4.257
  516   3HD1  LEU  65          3HD1      LEU  65  -3.254  11.674  -4.646
  517   1HD2  LEU  65          1HD2      LEU  65  -4.972   9.890  -1.426
  518   2HD2  LEU  65          2HD2      LEU  65  -6.224  10.993  -1.998
  519   3HD2  LEU  65          3HD2      LEU  65  -4.653  11.622  -1.500
  520    H    ASP  66           H        ASP  66  -7.328   8.258  -6.556
  521    HA   ASP  66           HA       ASP  66  -9.999   8.575  -5.390
  522   1HB   ASP  66          2HB       ASP  66  -9.165   9.817  -7.513
  523   2HB   ASP  66          1HB       ASP  66  -9.456   8.284  -8.328
  524    H    ASP  67           H        ASP  67  -7.904   6.198  -6.799
  525    HA   ASP  67           HA       ASP  67  -9.915   4.320  -7.504
  526   1HB   ASP  67          2HB       ASP  67  -6.965   4.019  -7.001
  527   2HB   ASP  67          1HB       ASP  67  -7.987   2.696  -7.544
  528    H    ILE  68           H        ILE  68 -10.499   2.403  -6.537
  529    HA   ILE  68           HA       ILE  68 -10.178   2.288  -3.601
  530    HB   ILE  68           HB       ILE  68 -12.298   0.715  -4.964
  531   1HG1  ILE  68          2HG1      ILE  68 -12.384   3.041  -5.970
  532   2HG1  ILE  68          1HG1      ILE  68 -13.850   2.510  -5.150
  533   1HG2  ILE  68          1HG2      ILE  68 -11.739   0.725  -2.480
  534   2HG2  ILE  68          2HG2      ILE  68 -13.434   0.933  -2.927
  535   3HG2  ILE  68          3HG2      ILE  68 -12.480   2.328  -2.443
  536   1HD1  ILE  68          1HD1      ILE  68 -12.649   4.900  -4.770
  537   2HD1  ILE  68          2HD1      ILE  68 -11.952   3.948  -3.459
  538   3HD1  ILE  68          3HD1      ILE  68 -13.703   4.110  -3.595
  539    H    ALA  69           H        ALA  69  -9.405   0.506  -2.687
  540    HA   ALA  69           HA       ALA  69  -8.558  -1.631  -4.500
  541   1HB   ALA  69          1HB       ALA  69  -7.611  -1.042  -1.702
  542   2HB   ALA  69          2HB       ALA  69  -6.786  -0.564  -3.181
  543   3HB   ALA  69          3HB       ALA  69  -6.966  -2.272  -2.785
  544    H    TYR  70           H        TYR  70  -9.027  -3.747  -4.094
  545    HA   TYR  70           HA       TYR  70 -11.030  -4.288  -2.017
  546   1HB   TYR  70          2HB       TYR  70 -12.157  -5.823  -3.587
  547   2HB   TYR  70          1HB       TYR  70 -12.155  -4.166  -4.182
  548    HD1  TYR  70           1HD      TYR  70 -10.799  -7.540  -4.673
  549    HD2  TYR  70           2HD      TYR  70 -10.880  -3.549  -6.144
  550    HE1  TYR  70           1HE      TYR  70  -9.783  -8.303  -6.779
  551    HE2  TYR  70           2HE      TYR  70  -9.864  -4.300  -8.254
  552    HH   TYR  70           HH       TYR  70  -9.875  -6.876  -9.490
  553    H    VAL  71           H        VAL  71 -10.890  -6.230  -0.971
  554    HA   VAL  71           HA       VAL  71  -8.367  -7.404  -0.745
  555    HB   VAL  71           HB       VAL  71 -10.958  -8.715   0.060
  556   1HG1  VAL  71          1HG1      VAL  71  -8.096  -9.143   0.667
  557   2HG1  VAL  71          2HG1      VAL  71  -9.424 -10.300   0.574
  558   3HG1  VAL  71          3HG1      VAL  71  -9.226  -9.299   2.013
  559   1HG2  VAL  71          1HG2      VAL  71 -11.338  -7.064   1.495
  560   2HG2  VAL  71          2HG2      VAL  71  -9.920  -6.204   0.896
  561   3HG2  VAL  71          3HG2      VAL  71  -9.760  -7.343   2.233
  562    H    GLY  72           H        GLY  72  -7.440  -9.240  -1.542
  563   1HA   GLY  72          2HA       GLY  72  -7.865 -11.470  -2.564
  564   2HA   GLY  72          1HA       GLY  72  -8.961 -10.639  -3.654
  565    H    LYS  73           H        LYS  73  -6.692  -8.414  -3.493
  566    HA   LYS  73           HA       LYS  73  -4.621  -9.678  -5.057
  567   1HB   LYS  73          2HB       LYS  73  -6.846  -8.369  -6.339
  568   2HB   LYS  73          1HB       LYS  73  -5.347  -7.528  -6.709
  569   1HG   LYS  73          2HG       LYS  73  -4.601 -10.109  -7.079
  570   2HG   LYS  73          1HG       LYS  73  -6.296 -10.163  -7.567
  571   1HD   LYS  73          2HD       LYS  73  -5.680  -9.336  -9.539
  572   2HD   LYS  73          1HD       LYS  73  -5.261  -7.832  -8.716
  573   1HE   LYS  73          2HE       LYS  73  -3.003  -8.463  -8.495
  574   2HE   LYS  73          1HE       LYS  73  -3.353 -10.146  -8.884
  575   1HZ   LYS  73          1HZ       LYS  73  -2.414  -8.343 -10.634
  576   2HZ   LYS  73          2HZ       LYS  73  -4.073  -8.260 -10.951
  577   3HZ   LYS  73          3HZ       LYS  73  -3.262  -9.740 -11.071
  578    HA   PRO  74           HA       PRO  74  -2.175  -6.607  -2.998
  579   1HB   PRO  74          2HB       PRO  74  -0.497  -6.763  -5.453
  580   2HB   PRO  74          1HB       PRO  74  -0.032  -6.949  -3.758
  581   1HG   PRO  74          2HG       PRO  74  -0.218  -9.077  -5.336
  582   2HG   PRO  74          1HG       PRO  74  -0.783  -9.146  -3.655
  583   1HD   PRO  74          2HD       PRO  74  -2.367  -8.901  -6.181
  584   2HD   PRO  74          1HD       PRO  74  -2.722  -9.833  -4.711
  585    H    LEU  75           H        LEU  75  -1.324  -4.425  -3.321
  586    HA   LEU  75           HA       LEU  75  -2.820  -2.990  -5.412
  587   1HB   LEU  75          2HB       LEU  75  -3.461  -2.558  -3.032
  588   2HB   LEU  75          1HB       LEU  75  -1.855  -1.907  -2.769
  589    HG   LEU  75           HG       LEU  75  -3.580  -0.750  -4.924
  590   1HD1  LEU  75          1HD1      LEU  75  -4.899   0.443  -3.527
  591   2HD1  LEU  75          2HD1      LEU  75  -3.684   0.504  -2.251
  592   3HD1  LEU  75          3HD1      LEU  75  -4.648  -0.956  -2.481
  593   1HD2  LEU  75          1HD2      LEU  75  -1.253   0.116  -3.258
  594   2HD2  LEU  75          2HD2      LEU  75  -2.311   1.315  -4.001
  595   3HD2  LEU  75          3HD2      LEU  75  -1.451   0.152  -5.010
  596    H    VAL  76           H        VAL  76   0.218  -2.921  -3.548
  597    HA   VAL  76           HA       VAL  76   1.547  -1.802  -5.919
  598    HB   VAL  76           HB       VAL  76   1.103   0.150  -4.579
  599   1HG1  VAL  76          1HG1      VAL  76   2.305  -1.433  -2.319
  600   2HG1  VAL  76          2HG1      VAL  76   0.663  -0.799  -2.442
  601   3HG1  VAL  76          3HG1      VAL  76   2.024   0.307  -2.255
  602   1HG2  VAL  76          1HG2      VAL  76   3.961  -0.447  -3.918
  603   2HG2  VAL  76          2HG2      VAL  76   3.236   1.057  -4.480
  604   3HG2  VAL  76          3HG2      VAL  76   3.451  -0.287  -5.596
  605    H    ASP  77           H        ASP  77   3.837  -2.129  -5.976
  606    HA   ASP  77           HA       ASP  77   4.759  -4.280  -4.188
  607   1HB   ASP  77          2HB       ASP  77   5.835  -3.755  -6.961
  608   2HB   ASP  77          1HB       ASP  77   6.095  -5.171  -5.954
  609    H    ILE  78           H        ILE  78   6.411  -3.774  -2.893
  610    HA   ILE  78           HA       ILE  78   8.245  -1.626  -3.714
  611    HB   ILE  78           HB       ILE  78   7.379  -1.830  -0.858
  612   1HG1  ILE  78          2HG1      ILE  78   5.889   0.256  -1.739
  613   2HG1  ILE  78          1HG1      ILE  78   5.789  -0.811  -3.132
  614   1HG2  ILE  78          1HG2      ILE  78   9.200  -0.434  -1.018
  615   2HG2  ILE  78          2HG2      ILE  78   7.862   0.710  -1.141
  616   3HG2  ILE  78          3HG2      ILE  78   8.716   0.192  -2.595
  617   1HD1  ILE  78          1HD1      ILE  78   4.188  -1.925  -2.112
  618   2HD1  ILE  78          2HD1      ILE  78   4.390  -0.951  -0.655
  619   3HD1  ILE  78          3HD1      ILE  78   5.348  -2.417  -0.876
  620    H    GLU  79           H        GLU  79  10.369  -1.763  -2.844
  621    HA   GLU  79           HA       GLU  79  11.000  -4.442  -1.823
  622   1HB   GLU  79          2HB       GLU  79  12.516  -2.365  -3.337
  623   2HB   GLU  79          1HB       GLU  79  13.422  -3.440  -2.281
  624   1HG   GLU  79          2HG       GLU  79  11.758  -5.135  -3.693
  625   2HG   GLU  79          1HG       GLU  79  12.264  -3.935  -4.881
  626    H    THR  80           H        THR  80  11.078  -4.597   0.296
  627    HA   THR  80           HA       THR  80  12.589  -2.631   1.835
  628    HB   THR  80           HB       THR  80  10.752  -2.827   3.650
  629    HG1  THR  80           1HG      THR  80   9.223  -4.146   2.928
  630   1HG2  THR  80          1HG2      THR  80  11.263  -0.730   2.550
  631   2HG2  THR  80          2HG2      THR  80   9.513  -0.908   2.673
  632   3HG2  THR  80          3HG2      THR  80  10.324  -1.206   1.136
  633    H    GLU  81           H        GLU  81  13.266  -3.444   3.936
  634    HA   GLU  81           HA       GLU  81  14.195  -6.077   3.867
  635   1HB   GLU  81          2HB       GLU  81  13.890  -4.058   6.069
  636   2HB   GLU  81          1HB       GLU  81  14.447  -5.686   6.429
  637   1HG   GLU  81          2HG       GLU  81  16.090  -5.068   4.392
  638   2HG   GLU  81          1HG       GLU  81  15.822  -3.465   5.077
  639    H    ALA  82           H        ALA  82  13.598  -7.918   5.154
  640    HA   ALA  82           HA       ALA  82  11.088  -8.859   4.947
  641   1HB   ALA  82          1HB       ALA  82  13.271  -9.924   5.941
  642   2HB   ALA  82          2HB       ALA  82  11.683 -10.590   6.321
  643   3HB   ALA  82          3HB       ALA  82  12.498  -9.539   7.479
  644    H    LEU  83           H        LEU  83   9.204  -7.999   5.501
  645    HA   LEU  83           HA       LEU  83   8.953  -6.758   8.161
  646   1HB   LEU  83          2HB       LEU  83   8.082  -5.889   5.500
  647   2HB   LEU  83          1HB       LEU  83   6.832  -5.787   6.726
  648    HG   LEU  83           HG       LEU  83   9.017  -4.649   7.975
  649   1HD1  LEU  83          1HD1      LEU  83   9.169  -2.923   5.754
  650   2HD1  LEU  83          2HD1      LEU  83   9.472  -4.554   5.154
  651   3HD1  LEU  83          3HD1      LEU  83  10.456  -3.898   6.462
  652   1HD2  LEU  83          1HD2      LEU  83   6.562  -3.974   7.843
  653   2HD2  LEU  83          2HD2      LEU  83   7.006  -3.082   6.388
  654   3HD2  LEU  83          3HD2      LEU  83   7.752  -2.675   7.934
  655    H    LYS  84           H        LYS  84   7.158  -7.200   9.393
  656    HA   LYS  84           HA       LYS  84   6.024  -9.769   9.132
  657   1HB   LYS  84          2HB       LYS  84   6.400  -8.459  11.269
  658   2HB   LYS  84          1HB       LYS  84   4.960  -7.537  10.859
  659   1HG   LYS  84          2HG       LYS  84   3.579  -9.462  11.029
  660   2HG   LYS  84          1HG       LYS  84   4.980 -10.528  11.151
  661   1HD   LYS  84          2HD       LYS  84   4.941 -10.311  13.362
  662   2HD   LYS  84          1HD       LYS  84   5.209  -8.575  13.190
  663   1HE   LYS  84          2HE       LYS  84   2.533  -8.874  12.597
  664   2HE   LYS  84          1HE       LYS  84   2.791 -10.034  13.899
  665   1HZ   LYS  84          1HZ       LYS  84   2.568  -8.297  15.249
  666   2HZ   LYS  84          2HZ       LYS  84   2.729  -7.172  13.997
  667   3HZ   LYS  84          3HZ       LYS  84   4.107  -7.809  14.743
  668    H    ASP  85           H        ASP  85   5.082  -6.700   7.900
  669    HA   ASP  85           HA       ASP  85   2.473  -6.452   7.684
  670   1HB   ASP  85          2HB       ASP  85   4.252  -5.229   6.350
  671   2HB   ASP  85          1HB       ASP  85   4.094  -6.503   5.144
  672    H    LEU  86           H        LEU  86   4.185  -8.863   5.680
  673    HA   LEU  86           HA       LEU  86   1.572 -10.098   5.114
  674   1HB   LEU  86          2HB       LEU  86   4.084 -10.766   3.627
  675   2HB   LEU  86          1HB       LEU  86   2.418 -10.944   3.113
  676    HG   LEU  86           HG       LEU  86   2.729  -8.200   3.484
  677   1HD1  LEU  86          1HD1      LEU  86   5.078  -8.248   3.600
  678   2HD1  LEU  86          2HD1      LEU  86   4.699  -7.780   1.942
  679   3HD1  LEU  86          3HD1      LEU  86   5.200  -9.433   2.300
  680   1HD2  LEU  86          1HD2      LEU  86   2.636 -10.018   1.104
  681   2HD2  LEU  86          2HD2      LEU  86   2.799  -8.275   0.903
  682   3HD2  LEU  86          3HD2      LEU  86   1.390  -8.939   1.732
  683    H    GLU  87           H        GLU  87   4.714 -10.597   6.497
  684    HA   GLU  87           HA       GLU  87   3.945 -13.357   7.188
  685   1HB   GLU  87          2HB       GLU  87   6.560 -13.538   7.509
  686   2HB   GLU  87          1HB       GLU  87   5.822 -13.754   5.928
  687   1HG   GLU  87          2HG       GLU  87   6.624 -11.774   5.125
  688   2HG   GLU  87          1HG       GLU  87   6.677 -11.024   6.719
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1  18.069   6.296   2.988
    2   2H    MET   1          2HT       MET   1  19.103   4.987   3.266
    3   3H    MET   1          3HT       MET   1  19.557   6.206   2.186
    4    HA   MET   1           HA       MET   1  20.668   6.303   4.400
    5   1HB   MET   1          2HB       MET   1  19.773   8.265   2.680
    6   2HB   MET   1          1HB       MET   1  19.194   8.829   4.242
    7   1HG   MET   1          2HG       MET   1  21.703   8.198   4.913
    8   2HG   MET   1          1HG       MET   1  21.947   8.579   3.210
    9   1HE   MET   1          1HE       MET   1  21.929  11.272   2.300
   10   2HE   MET   1          2HE       MET   1  23.248  10.413   3.097
   11   3HE   MET   1          3HE       MET   1  22.856  12.065   3.574
   12    H    GLY   2           H        GLY   2  17.898   5.083   4.808
   13   1HA   GLY   2          2HA       GLY   2  17.040   4.560   6.972
   14   2HA   GLY   2          1HA       GLY   2  17.554   6.146   7.524
   15    H    GLN   3           H        GLN   3  16.227   6.886   4.682
   16    HA   GLN   3           HA       GLN   3  13.714   7.649   5.911
   17   1HB   GLN   3          2HB       GLN   3  14.993   8.297   3.261
   18   2HB   GLN   3          1HB       GLN   3  13.367   8.817   3.683
   19   1HG   GLN   3          2HG       GLN   3  14.095  10.380   5.147
   20   2HG   GLN   3          1HG       GLN   3  15.512   9.443   5.617
   21   1HE2  GLN   3          1HE2      GLN   3  14.299  10.745   2.542
   22   2HE2  GLN   3          2HE2      GLN   3  15.758  11.569   2.121
   23    H    VAL   4           H        VAL   4  11.653   7.220   4.976
   24    HA   VAL   4           HA       VAL   4  11.554   4.950   3.119
   25    HB   VAL   4           HB       VAL   4   9.597   4.061   4.486
   26   1HG1  VAL   4          1HG1      VAL   4  11.323   2.613   4.627
   27   2HG1  VAL   4          2HG1      VAL   4  11.354   3.182   6.296
   28   3HG1  VAL   4          3HG1      VAL   4  12.475   3.858   5.114
   29   1HG2  VAL   4          1HG2      VAL   4  10.855   5.818   6.590
   30   2HG2  VAL   4          2HG2      VAL   4   9.623   4.587   6.881
   31   3HG2  VAL   4          3HG2      VAL   4   9.242   6.001   5.898
   32    H    VAL   5           H        VAL   5   9.745   4.818   1.829
   33    HA   VAL   5           HA       VAL   5   8.177   7.285   1.604
   34    HB   VAL   5           HB       VAL   5   7.477   6.375  -0.599
   35   1HG1  VAL   5          1HG1      VAL   5   9.194   7.681  -1.176
   36   2HG1  VAL   5          2HG1      VAL   5  10.123   6.191  -1.338
   37   3HG1  VAL   5          3HG1      VAL   5  10.188   7.112   0.165
   38   1HG2  VAL   5          1HG2      VAL   5   9.563   4.249  -0.358
   39   2HG2  VAL   5          2HG2      VAL   5   8.181   4.343  -1.445
   40   3HG2  VAL   5          3HG2      VAL   5   7.937   3.948   0.252
   41    H    GLN   6           H        GLN   6   5.982   7.298   1.868
   42    HA   GLN   6           HA       GLN   6   4.851   4.872   3.041
   43   1HB   GLN   6          2HB       GLN   6   4.758   7.563   3.748
   44   2HB   GLN   6          1HB       GLN   6   3.144   7.202   3.153
   45   1HG   GLN   6          2HG       GLN   6   2.719   5.684   4.818
   46   2HG   GLN   6          1HG       GLN   6   4.428   5.349   5.098
   47   1HE2  GLN   6          1HE2      GLN   6   3.171   8.604   4.813
   48   2HE2  GLN   6          2HE2      GLN   6   3.390   9.037   6.471
   49    H    PHE   7           H        PHE   7   2.953   3.962   2.433
   50    HA   PHE   7           HA       PHE   7   1.917   4.772  -0.195
   51   1HB   PHE   7          2HB       PHE   7   2.705   2.581  -0.481
   52   2HB   PHE   7          1HB       PHE   7   2.196   2.083   1.126
   53    HD1  PHE   7           1HD      PHE   7   1.138   2.642  -2.327
   54    HD2  PHE   7           2HD      PHE   7  -0.073   1.417   1.560
   55    HE1  PHE   7           1HE      PHE   7  -0.937   1.713  -3.269
   56    HE2  PHE   7           2HE      PHE   7  -2.148   0.486   0.630
   57    HZ   PHE   7           HZ       PHE   7  -2.583   0.633  -1.789
   58    H    LYS   8           H        LYS   8  -0.184   5.304  -0.376
   59    HA   LYS   8           HA       LYS   8  -1.903   4.974   1.994
   60   1HB   LYS   8          2HB       LYS   8  -2.799   7.169   1.685
   61   2HB   LYS   8          1HB       LYS   8  -1.047   7.316   1.678
   62   1HG   LYS   8          2HG       LYS   8  -1.035   7.483  -0.736
   63   2HG   LYS   8          1HG       LYS   8  -2.781   7.232  -0.782
   64   1HD   LYS   8          2HD       LYS   8  -2.250   9.594  -1.018
   65   2HD   LYS   8          1HD       LYS   8  -3.102   9.300   0.499
   66   1HE   LYS   8          2HE       LYS   8  -1.062   9.431   1.744
   67   2HE   LYS   8          1HE       LYS   8  -0.105   9.492   0.265
   68   1HZ   LYS   8          1HZ       LYS   8  -2.085  11.564   1.031
   69   2HZ   LYS   8          2HZ       LYS   8  -0.966  11.638  -0.234
   70   3HZ   LYS   8          3HZ       LYS   8  -0.431  11.674   1.370
   71    H    LEU   9           H        LEU   9  -4.062   4.566   1.659
   72    HA   LEU   9           HA       LEU   9  -4.879   3.056  -0.514
   73   1HB   LEU   9          2HB       LEU   9  -5.993   3.169   1.684
   74   2HB   LEU   9          1HB       LEU   9  -6.537   4.790   1.332
   75    HG   LEU   9           HG       LEU   9  -8.353   3.221   1.127
   76   1HD1  LEU   9          1HD1      LEU   9  -9.285   4.166  -0.673
   77   2HD1  LEU   9          2HD1      LEU   9  -7.921   3.777  -1.721
   78   3HD1  LEU   9          3HD1      LEU   9  -7.829   5.157  -0.627
   79   1HD2  LEU   9          1HD2      LEU   9  -7.816   1.784  -1.201
   80   2HD2  LEU   9          2HD2      LEU   9  -8.041   1.166   0.439
   81   3HD2  LEU   9          3HD2      LEU   9  -6.419   1.564  -0.144
   82    H    SER  10           H        SER  10  -4.985   3.684  -2.601
   83    HA   SER  10           HA       SER  10  -6.188   6.295  -3.203
   84   1HB   SER  10          2HB       SER  10  -3.522   5.266  -4.097
   85   2HB   SER  10          1HB       SER  10  -4.442   6.331  -5.161
   86    HG   SER  10           HG       SER  10  -4.602   7.666  -3.107
   87    H    ASP  11           H        ASP  11  -7.950   4.606  -3.465
   88    HA   ASP  11           HA       ASP  11  -7.929   3.644  -6.247
   89   1HB   ASP  11          2HB       ASP  11  -9.388   2.340  -3.942
   90   2HB   ASP  11          1HB       ASP  11  -9.272   1.742  -5.594
   91    H    ILE  12           H        ILE  12  -9.774   5.059  -3.617
   92    HA   ILE  12           HA       ILE  12 -11.909   5.741  -5.524
   93    HB   ILE  12           HB       ILE  12 -13.147   6.168  -3.198
   94   1HG1  ILE  12          2HG1      ILE  12 -11.064   5.405  -1.951
   95   2HG1  ILE  12          1HG1      ILE  12 -12.575   4.631  -1.486
   96   1HG2  ILE  12          1HG2      ILE  12 -13.989   4.774  -4.978
   97   2HG2  ILE  12          2HG2      ILE  12 -14.150   3.934  -3.436
   98   3HG2  ILE  12          3HG2      ILE  12 -12.855   3.493  -4.549
   99   1HD1  ILE  12          1HD1      ILE  12 -10.201   3.376  -2.176
  100   2HD1  ILE  12          2HD1      ILE  12 -11.243   3.160  -3.582
  101   3HD1  ILE  12          3HD1      ILE  12 -11.785   2.623  -1.993
  102    H    GLY  13           H        GLY  13 -13.224   7.711  -4.330
  103   1HA   GLY  13          2HA       GLY  13 -11.492   9.960  -4.637
  104   2HA   GLY  13          1HA       GLY  13 -13.191  10.009  -4.196
  105    H    GLU  14           H        GLU  14 -11.612  11.809  -3.019
  106    HA   GLU  14           HA       GLU  14 -10.624  10.810  -0.486
  107   1HB   GLU  14          2HB       GLU  14  -9.404  12.577  -1.657
  108   2HB   GLU  14          1HB       GLU  14 -10.812  13.625  -1.570
  109   1HG   GLU  14          2HG       GLU  14 -10.583  13.953   0.719
  110   2HG   GLU  14          1HG       GLU  14  -9.557  12.532   0.916
  111    H    GLY  15           H        GLY  15 -13.637  11.007  -1.350
  112   1HA   GLY  15          2HA       GLY  15 -14.551  11.682   1.305
  113   2HA   GLY  15          1HA       GLY  15 -15.089  12.800   0.063
  114    H    ILE  16           H        ILE  16 -14.640   9.363  -0.477
  115    HA   ILE  16           HA       ILE  16 -17.554   8.998  -0.503
  116    HB   ILE  16           HB       ILE  16 -17.455   7.781  -2.577
  117   1HG1  ILE  16          2HG1      ILE  16 -14.841   8.383  -3.530
  118   2HG1  ILE  16          1HG1      ILE  16 -14.672   7.603  -1.958
  119   1HG2  ILE  16          1HG2      ILE  16 -17.777  10.162  -2.769
  120   2HG2  ILE  16          2HG2      ILE  16 -16.792   9.592  -4.117
  121   3HG2  ILE  16          3HG2      ILE  16 -16.034  10.429  -2.763
  122   1HD1  ILE  16          1HD1      ILE  16 -16.604   6.174  -3.476
  123   2HD1  ILE  16          2HD1      ILE  16 -15.031   5.636  -2.885
  124   3HD1  ILE  16          3HD1      ILE  16 -15.163   6.412  -4.464
  125    H    ARG  17           H        ARG  17 -17.703   6.394  -1.266
  126    HA   ARG  17           HA       ARG  17 -17.252   4.953   1.035
  127   1HB   ARG  17          2HB       ARG  17 -18.171   4.411  -1.617
  128   2HB   ARG  17          1HB       ARG  17 -17.055   3.137  -1.143
  129   1HG   ARG  17          2HG       ARG  17 -18.867   3.723   1.007
  130   2HG   ARG  17          1HG       ARG  17 -19.756   3.374  -0.477
  131   1HD   ARG  17          2HD       ARG  17 -17.720   1.647   0.913
  132   2HD   ARG  17          1HD       ARG  17 -19.431   1.307   0.653
  133    HE   ARG  17           HE       ARG  17 -18.487   1.547  -1.859
  134   1HH1  ARG  17          1HH1      ARG  17 -17.418  -0.286   0.901
  135   2HH1  ARG  17          2HH1      ARG  17 -16.755  -1.575  -0.048
  136   1HH2  ARG  17          1HH2      ARG  17 -17.619  -0.142  -3.119
  137   2HH2  ARG  17          2HH2      ARG  17 -16.868  -1.491  -2.335
  138    H    GLU  18           H        GLU  18 -15.690   3.512   1.731
  139    HA   GLU  18           HA       GLU  18 -13.038   3.935   0.563
  140   1HB   GLU  18          2HB       GLU  18 -13.846   2.835   3.259
  141   2HB   GLU  18          1HB       GLU  18 -12.194   3.091   2.720
  142   1HG   GLU  18          2HG       GLU  18 -12.303   5.340   2.970
  143   2HG   GLU  18          1HG       GLU  18 -14.024   5.408   2.592
  144    H    VAL  19           H        VAL  19 -11.520   1.908   0.912
  145    HA   VAL  19           HA       VAL  19 -13.047  -0.478   0.074
  146    HB   VAL  19           HB       VAL  19 -11.933   0.650  -1.855
  147   1HG1  VAL  19          1HG1      VAL  19  -9.884   1.249  -0.419
  148   2HG1  VAL  19          2HG1      VAL  19  -9.619   0.758  -2.092
  149   3HG1  VAL  19          3HG1      VAL  19  -9.335  -0.387  -0.780
  150   1HG2  VAL  19          1HG2      VAL  19 -12.426  -1.882  -1.541
  151   2HG2  VAL  19          2HG2      VAL  19 -10.671  -2.030  -1.456
  152   3HG2  VAL  19          3HG2      VAL  19 -11.431  -1.352  -2.897
  153    H    THR  20           H        THR  20 -12.274  -2.489   0.633
  154    HA   THR  20           HA       THR  20 -10.375  -2.511   2.868
  155    HB   THR  20           HB       THR  20 -11.834  -4.976   2.054
  156    HG1  THR  20           1HG      THR  20 -13.757  -4.280   2.801
  157   1HG2  THR  20          1HG2      THR  20 -11.393  -3.751   4.773
  158   2HG2  THR  20          2HG2      THR  20 -10.268  -4.867   4.003
  159   3HG2  THR  20          3HG2      THR  20 -11.898  -5.398   4.412
  160    H    VAL  21           H        VAL  21  -8.763  -4.177   2.987
  161    HA   VAL  21           HA       VAL  21  -7.475  -4.619   0.442
  162    HB   VAL  21           HB       VAL  21  -6.615  -5.697   3.129
  163   1HG1  VAL  21          1HG1      VAL  21  -4.341  -5.306   1.842
  164   2HG1  VAL  21          2HG1      VAL  21  -5.381  -5.498   0.430
  165   3HG1  VAL  21          3HG1      VAL  21  -5.275  -6.786   1.630
  166   1HG2  VAL  21          1HG2      VAL  21  -6.710  -3.409   3.535
  167   2HG2  VAL  21          2HG2      VAL  21  -6.243  -2.999   1.884
  168   3HG2  VAL  21          3HG2      VAL  21  -5.046  -3.651   3.003
  169    H    LYS  22           H        LYS  22  -7.320  -6.506  -0.675
  170    HA   LYS  22           HA       LYS  22  -8.989  -8.717   0.280
  171   1HB   LYS  22          2HB       LYS  22  -8.720  -7.438  -2.237
  172   2HB   LYS  22          1HB       LYS  22  -8.137  -9.086  -2.425
  173   1HG   LYS  22          2HG       LYS  22 -10.633  -8.905  -0.931
  174   2HG   LYS  22          1HG       LYS  22 -10.747  -8.286  -2.579
  175   1HD   LYS  22          2HD       LYS  22 -10.129 -10.338  -3.515
  176   2HD   LYS  22          1HD       LYS  22  -9.463 -10.932  -1.993
  177   1HE   LYS  22          2HE       LYS  22 -11.679 -11.096  -1.045
  178   2HE   LYS  22          1HE       LYS  22 -12.384 -10.383  -2.495
  179   1HZ   LYS  22          1HZ       LYS  22 -11.684 -12.291  -3.763
  180   2HZ   LYS  22          2HZ       LYS  22 -12.599 -12.808  -2.438
  181   3HZ   LYS  22          3HZ       LYS  22 -10.915 -12.962  -2.413
  182    H    GLU  23           H        GLU  23  -5.735  -7.930  -0.779
  183    HA   GLU  23           HA       GLU  23  -4.872 -10.553   0.191
  184   1HB   GLU  23          2HB       GLU  23  -4.647  -9.548  -2.571
  185   2HB   GLU  23          1HB       GLU  23  -3.175 -10.244  -1.908
  186   1HG   GLU  23          2HG       GLU  23  -5.307 -11.981  -1.256
  187   2HG   GLU  23          1HG       GLU  23  -5.458 -11.562  -2.961
  188    H    TRP  24           H        TRP  24  -3.232 -10.399   1.544
  189    HA   TRP  24           HA       TRP  24  -1.492  -8.019   1.422
  190   1HB   TRP  24          2HB       TRP  24  -2.824  -9.382   3.706
  191   2HB   TRP  24          1HB       TRP  24  -1.193  -8.787   3.984
  192    HD1  TRP  24           HD       TRP  24  -4.684  -7.689   4.154
  193    HE1  TRP  24           1HE      TRP  24  -4.834  -5.126   4.355
  194    HE3  TRP  24           3HE      TRP  24   0.125  -6.492   2.905
  195    HZ2  TRP  24           2HZ      TRP  24  -3.140  -2.895   4.024
  196    HZ3  TRP  24           3HZ      TRP  24   0.778  -4.122   2.865
  197    HH2  TRP  24           HH       TRP  24  -0.821  -2.361   3.414
  198    H    TYR  25           H        TYR  25   0.491  -8.561   0.727
  199    HA   TYR  25           HA       TYR  25   1.524 -11.219   1.484
  200   1HB   TYR  25          2HB       TYR  25   1.267  -9.956  -1.106
  201   2HB   TYR  25          1HB       TYR  25   2.941 -10.394  -0.781
  202    HD1  TYR  25           1HD      TYR  25  -0.027 -11.530  -2.171
  203    HD2  TYR  25           2HD      TYR  25   3.168 -12.852   0.307
  204    HE1  TYR  25           1HE      TYR  25  -0.531 -13.860  -2.775
  205    HE2  TYR  25           2HE      TYR  25   2.677 -15.186  -0.292
  206    HH   TYR  25           HH       TYR  25  -0.017 -16.263  -1.430
  207    H    VAL  26           H        VAL  26   1.914  -8.839   3.050
  208    HA   VAL  26           HA       VAL  26   4.791  -8.941   3.217
  209    HB   VAL  26           HB       VAL  26   5.263  -6.618   2.978
  210   1HG1  VAL  26          1HG1      VAL  26   4.772  -6.232   0.645
  211   2HG1  VAL  26          2HG1      VAL  26   3.488  -7.437   0.689
  212   3HG1  VAL  26          3HG1      VAL  26   5.167  -7.929   0.911
  213   1HG2  VAL  26          1HG2      VAL  26   2.281  -6.274   2.793
  214   2HG2  VAL  26          2HG2      VAL  26   3.404  -5.041   2.217
  215   3HG2  VAL  26          3HG2      VAL  26   3.410  -5.515   3.916
  216    H    LYS  27           H        LYS  27   5.622  -7.930   5.179
  217    HA   LYS  27           HA       LYS  27   3.581  -7.257   7.172
  218   1HB   LYS  27          2HB       LYS  27   4.837  -9.758   7.067
  219   2HB   LYS  27          1HB       LYS  27   5.651  -8.887   8.360
  220   1HG   LYS  27          2HG       LYS  27   3.868 -10.080   9.347
  221   2HG   LYS  27          1HG       LYS  27   3.389  -8.382   9.315
  222   1HD   LYS  27          2HD       LYS  27   2.525  -9.520   6.884
  223   2HD   LYS  27          1HD       LYS  27   2.076 -10.649   8.164
  224   1HE   LYS  27          2HE       LYS  27   0.755  -9.072   9.257
  225   2HE   LYS  27          1HE       LYS  27   1.530  -7.717   8.438
  226   1HZ   LYS  27          1HZ       LYS  27   0.507  -8.924   6.348
  227   2HZ   LYS  27          2HZ       LYS  27  -0.393  -7.824   7.265
  228   3HZ   LYS  27          3HZ       LYS  27  -0.597  -9.486   7.501
  229    H    GLU  28           H        GLU  28   4.596  -6.482   9.231
  230    HA   GLU  28           HA       GLU  28   6.215  -4.256   8.768
  231   1HB   GLU  28          2HB       GLU  28   6.260  -5.545  11.467
  232   2HB   GLU  28          1HB       GLU  28   6.118  -3.847  11.048
  233   1HG   GLU  28          2HG       GLU  28   3.797  -4.671  10.073
  234   2HG   GLU  28          1HG       GLU  28   4.029  -5.928  11.285
  235    H    GLY  29           H        GLY  29   8.402  -3.893   8.794
  236   1HA   GLY  29          2HA       GLY  29  10.660  -4.339   8.984
  237   2HA   GLY  29          1HA       GLY  29  10.248  -5.723   9.986
  238    H    ASP  30           H        ASP  30   8.530  -5.967   7.147
  239    HA   ASP  30           HA       ASP  30  10.420  -7.951   6.130
  240   1HB   ASP  30          2HB       ASP  30   7.707  -8.073   6.534
  241   2HB   ASP  30          1HB       ASP  30   7.807  -7.740   4.807
  242    H    THR  31           H        THR  31  10.896  -8.096   3.877
  243    HA   THR  31           HA       THR  31  10.952  -5.461   2.599
  244    HB   THR  31           HB       THR  31  12.490  -7.900   1.719
  245    HG1  THR  31           1HG      THR  31  13.575  -5.825   3.312
  246   1HG2  THR  31          1HG2      THR  31  13.075  -4.967   1.330
  247   2HG2  THR  31          2HG2      THR  31  12.220  -5.959   0.150
  248   3HG2  THR  31          3HG2      THR  31  13.891  -6.334   0.572
  249    H    VAL  32           H        VAL  32  10.440  -5.207   0.400
  250    HA   VAL  32           HA       VAL  32   8.525  -7.186  -0.619
  251    HB   VAL  32           HB       VAL  32   8.115  -4.866  -2.091
  252   1HG1  VAL  32          1HG1      VAL  32   6.106  -5.676  -1.622
  253   2HG1  VAL  32          2HG1      VAL  32   6.210  -4.851  -0.066
  254   3HG1  VAL  32          3HG1      VAL  32   6.719  -6.534  -0.208
  255   1HG2  VAL  32          1HG2      VAL  32   7.651  -3.153  -0.329
  256   2HG2  VAL  32          2HG2      VAL  32   9.363  -3.455  -0.623
  257   3HG2  VAL  32          3HG2      VAL  32   8.577  -4.143   0.798
  258    H    SER  33           H        SER  33   8.372  -7.386  -2.966
  259    HA   SER  33           HA       SER  33  10.791  -6.646  -4.437
  260   1HB   SER  33          2HB       SER  33   9.825  -9.400  -4.935
  261   2HB   SER  33          1HB       SER  33  11.471  -8.770  -4.899
  262    HG   SER  33           HG       SER  33  11.565  -9.660  -3.004
  263    H    GLN  34           H        GLN  34  10.543  -6.888  -6.788
  264    HA   GLN  34           HA       GLN  34   8.275  -5.702  -7.798
  265   1HB   GLN  34          2HB       GLN  34  10.589  -7.099  -8.912
  266   2HB   GLN  34          1HB       GLN  34   9.157  -7.233  -9.923
  267   1HG   GLN  34          2HG       GLN  34   9.089  -4.606  -9.390
  268   2HG   GLN  34          1HG       GLN  34  10.826  -4.888  -9.298
  269   1HE2  GLN  34          1HE2      GLN  34  11.689  -6.237 -11.168
  270   2HE2  GLN  34          2HE2      GLN  34  11.108  -5.820 -12.740
  271    H    PHE  35           H        PHE  35   8.898  -9.097  -7.226
  272    HA   PHE  35           HA       PHE  35   6.423  -9.908  -8.521
  273   1HB   PHE  35          2HB       PHE  35   8.749 -11.181  -8.417
  274   2HB   PHE  35          1HB       PHE  35   8.085 -11.794  -6.908
  275    HD1  PHE  35           1HD      PHE  35   5.187 -11.446  -8.502
  276    HD2  PHE  35           2HD      PHE  35   8.792 -13.665  -8.955
  277    HE1  PHE  35           1HE      PHE  35   3.961 -13.178  -9.748
  278    HE2  PHE  35           2HE      PHE  35   7.572 -15.398 -10.202
  279    HZ   PHE  35           HZ       PHE  35   5.154 -15.156 -10.600
  280    H    ASP  36           H        ASP  36   7.642  -9.204  -5.361
  281    HA   ASP  36           HA       ASP  36   5.340 -10.453  -4.066
  282   1HB   ASP  36          2HB       ASP  36   8.032  -9.957  -3.293
  283   2HB   ASP  36          1HB       ASP  36   6.989  -9.046  -2.206
  284    H    SER  37           H        SER  37   3.642  -9.112  -4.631
  285    HA   SER  37           HA       SER  37   3.689  -6.298  -4.526
  286   1HB   SER  37          2HB       SER  37   1.301  -6.396  -4.752
  287   2HB   SER  37          1HB       SER  37   1.970  -7.718  -5.709
  288    HG   SER  37           HG       SER  37   1.345  -9.156  -4.159
  289    H    ILE  38           H        ILE  38   2.514  -4.908  -3.009
  290    HA   ILE  38           HA       ILE  38   3.121  -5.675  -0.275
  291    HB   ILE  38           HB       ILE  38   1.971  -3.065  -1.272
  292   1HG1  ILE  38          2HG1      ILE  38   4.757  -4.149  -1.147
  293   2HG1  ILE  38          1HG1      ILE  38   4.015  -3.118  -2.360
  294   1HG2  ILE  38          1HG2      ILE  38   2.257  -2.216   0.837
  295   2HG2  ILE  38          2HG2      ILE  38   3.577  -3.321   1.224
  296   3HG2  ILE  38          3HG2      ILE  38   1.912  -3.897   1.248
  297   1HD1  ILE  38          1HD1      ILE  38   5.384  -1.589  -1.443
  298   2HD1  ILE  38          2HD1      ILE  38   5.451  -2.416   0.115
  299   3HD1  ILE  38          3HD1      ILE  38   4.056  -1.413  -0.296
  300    H    CYS  39           H        CYS  39   0.295  -4.139  -1.793
  301    HA   CYS  39           HA       CYS  39  -1.443  -5.924  -0.258
  302   1HB   CYS  39          2HB       CYS  39  -2.815  -4.135   0.554
  303   2HB   CYS  39          1HB       CYS  39  -1.152  -3.758   0.987
  304    HG   CYS  39           HG       CYS  39  -1.033  -2.135  -1.523
  305    H    GLU  40           H        GLU  40  -3.666  -5.935  -1.063
  306    HA   GLU  40           HA       GLU  40  -3.998  -4.887  -3.773
  307   1HB   GLU  40          2HB       GLU  40  -3.164  -7.372  -3.659
  308   2HB   GLU  40          1HB       GLU  40  -4.831  -7.712  -3.216
  309   1HG   GLU  40          2HG       GLU  40  -5.389  -6.319  -5.342
  310   2HG   GLU  40          1HG       GLU  40  -3.725  -6.692  -5.789
  311    H    VAL  41           H        VAL  41  -5.914  -3.916  -3.942
  312    HA   VAL  41           HA       VAL  41  -8.057  -4.763  -2.105
  313    HB   VAL  41           HB       VAL  41  -8.880  -2.466  -2.076
  314   1HG1  VAL  41          1HG1      VAL  41  -6.200  -3.206  -1.114
  315   2HG1  VAL  41          2HG1      VAL  41  -7.600  -2.601  -0.228
  316   3HG1  VAL  41          3HG1      VAL  41  -6.560  -1.480  -1.108
  317   1HG2  VAL  41          1HG2      VAL  41  -6.414  -1.749  -3.657
  318   2HG2  VAL  41          2HG2      VAL  41  -7.656  -0.644  -3.070
  319   3HG2  VAL  41          3HG2      VAL  41  -8.048  -1.826  -4.317
  320    H    GLN  42           H        GLN  42 -10.167  -4.806  -2.889
  321    HA   GLN  42           HA       GLN  42 -10.495  -4.359  -5.776
  322   1HB   GLN  42          2HB       GLN  42 -11.209  -6.859  -4.250
  323   2HB   GLN  42          1HB       GLN  42 -11.903  -6.475  -5.819
  324   1HG   GLN  42          2HG       GLN  42  -9.667  -6.448  -6.803
  325   2HG   GLN  42          1HG       GLN  42  -8.973  -6.841  -5.231
  326   1HE2  GLN  42          1HE2      GLN  42  -8.295  -8.496  -7.128
  327   2HE2  GLN  42          2HE2      GLN  42  -9.163  -9.987  -7.049
  328    H    SER  43           H        SER  43 -12.178  -3.122  -6.200
  329    HA   SER  43           HA       SER  43 -14.292  -2.875  -4.172
  330   1HB   SER  43          2HB       SER  43 -13.069  -0.794  -4.673
  331   2HB   SER  43          1HB       SER  43 -13.516  -0.942  -6.372
  332    HG   SER  43           HG       SER  43 -15.181  -0.441  -4.146
  333    H    ASP  44           H        ASP  44 -16.489  -2.704  -4.870
  334    HA   ASP  44           HA       ASP  44 -17.267  -4.636  -6.728
  335   1HB   ASP  44          2HB       ASP  44 -18.807  -2.326  -5.538
  336   2HB   ASP  44          1HB       ASP  44 -19.548  -3.597  -6.507
  337    H    LYS  45           H        LYS  45 -16.256  -1.408  -7.250
  338    HA   LYS  45           HA       LYS  45 -17.564  -1.290  -9.865
  339   1HB   LYS  45          2HB       LYS  45 -16.379   1.053  -9.828
  340   2HB   LYS  45          1HB       LYS  45 -17.859   0.785  -8.919
  341   1HG   LYS  45          2HG       LYS  45 -16.716   0.678  -6.875
  342   2HG   LYS  45          1HG       LYS  45 -15.153   0.470  -7.666
  343   1HD   LYS  45          2HD       LYS  45 -16.287   2.890  -8.613
  344   2HD   LYS  45          1HD       LYS  45 -16.427   2.880  -6.853
  345   1HE   LYS  45          2HE       LYS  45 -14.037   2.371  -6.673
  346   2HE   LYS  45          1HE       LYS  45 -13.901   2.398  -8.431
  347   1HZ   LYS  45          1HZ       LYS  45 -13.988   4.637  -8.493
  348   2HZ   LYS  45          2HZ       LYS  45 -13.397   4.503  -6.915
  349   3HZ   LYS  45          3HZ       LYS  45 -15.047   4.763  -7.179
  350    H    ALA  46           H        ALA  46 -14.323  -1.105  -8.414
  351    HA   ALA  46           HA       ALA  46 -13.206  -2.213 -10.862
  352   1HB   ALA  46          1HB       ALA  46 -13.213   0.439 -10.768
  353   2HB   ALA  46          2HB       ALA  46 -11.869  -0.470 -11.460
  354   3HB   ALA  46          3HB       ALA  46 -11.756   0.154  -9.815
  355    H    SER  47           H        SER  47 -11.004  -2.961 -10.612
  356    HA   SER  47           HA       SER  47 -10.318  -3.523  -7.800
  357   1HB   SER  47          2HB       SER  47  -9.881  -5.204 -10.279
  358   2HB   SER  47          1HB       SER  47  -9.185  -5.579  -8.702
  359    HG   SER  47           HG       SER  47 -11.018  -6.657  -8.566
  360    H    VAL  48           H        VAL  48  -8.230  -3.185  -7.119
  361    HA   VAL  48           HA       VAL  48  -6.269  -2.318  -9.120
  362    HB   VAL  48           HB       VAL  48  -6.444  -0.789  -6.556
  363   1HG1  VAL  48          1HG1      VAL  48  -5.317  -0.326  -9.297
  364   2HG1  VAL  48          2HG1      VAL  48  -4.479  -0.348  -7.746
  365   3HG1  VAL  48          3HG1      VAL  48  -5.546   0.996  -8.153
  366   1HG2  VAL  48          1HG2      VAL  48  -7.711   0.937  -8.091
  367   2HG2  VAL  48          2HG2      VAL  48  -8.595  -0.294  -7.189
  368   3HG2  VAL  48          3HG2      VAL  48  -8.260  -0.529  -8.904
  369    H    THR  49           H        THR  49  -4.474  -3.428  -8.889
  370    HA   THR  49           HA       THR  49  -3.828  -4.612  -6.279
  371    HB   THR  49           HB       THR  49  -2.396  -6.164  -7.456
  372    HG1  THR  49           1HG      THR  49  -3.155  -5.013  -9.930
  373   1HG2  THR  49          1HG2      THR  49  -5.059  -6.271  -7.534
  374   2HG2  THR  49          2HG2      THR  49  -4.047  -7.482  -8.323
  375   3HG2  THR  49          3HG2      THR  49  -4.750  -6.170  -9.268
  376    H    ILE  50           H        ILE  50  -2.048  -3.982  -5.164
  377    HA   ILE  50           HA       ILE  50  -0.449  -1.838  -6.354
  378    HB   ILE  50           HB       ILE  50  -0.618  -2.727  -3.474
  379   1HG1  ILE  50          2HG1      ILE  50  -1.722  -0.394  -3.319
  380   2HG1  ILE  50          1HG1      ILE  50  -1.963  -0.554  -5.054
  381   1HG2  ILE  50          1HG2      ILE  50   1.338  -1.169  -4.792
  382   2HG2  ILE  50          2HG2      ILE  50   1.166  -1.472  -3.063
  383   3HG2  ILE  50          3HG2      ILE  50   0.373  -0.077  -3.798
  384   1HD1  ILE  50          1HD1      ILE  50  -2.898  -2.658  -3.143
  385   2HD1  ILE  50          2HD1      ILE  50  -3.419  -2.355  -4.800
  386   3HD1  ILE  50          3HD1      ILE  50  -3.871  -1.236  -3.514
  387    H    THR  51           H        THR  51   1.244  -2.558  -7.430
  388    HA   THR  51           HA       THR  51   2.769  -4.847  -6.473
  389    HB   THR  51           HB       THR  51   4.169  -4.247  -8.593
  390    HG1  THR  51           1HG      THR  51   2.724  -3.189 -10.161
  391   1HG2  THR  51          1HG2      THR  51   1.332  -5.189  -8.992
  392   2HG2  THR  51          2HG2      THR  51   2.606  -6.189  -8.294
  393   3HG2  THR  51          3HG2      THR  51   2.750  -5.608  -9.953
  394    H    SER  52           H        SER  52   5.304  -4.407  -6.945
  395    HA   SER  52           HA       SER  52   5.941  -2.118  -5.225
  396   1HB   SER  52          2HB       SER  52   6.625  -4.619  -4.747
  397   2HB   SER  52          1HB       SER  52   7.936  -4.252  -5.867
  398    HG   SER  52           HG       SER  52   8.871  -3.316  -4.248
  399    H    ARG  53           H        ARG  53   7.023  -3.754  -8.184
  400    HA   ARG  53           HA       ARG  53   8.062  -2.979 -10.047
  401   1HB   ARG  53          2HB       ARG  53   7.680  -0.833 -10.740
  402   2HB   ARG  53          1HB       ARG  53   6.502  -0.911  -9.447
  403   1HG   ARG  53          2HG       ARG  53   7.398   0.931  -8.622
  404   2HG   ARG  53          1HG       ARG  53   8.852   0.013  -8.241
  405   1HD   ARG  53          2HD       ARG  53   9.388   1.993  -9.555
  406   2HD   ARG  53          1HD       ARG  53   9.753   0.523 -10.459
  407    HE   ARG  53           HE       ARG  53   7.140   1.619 -10.986
  408   1HH1  ARG  53          1HH1      ARG  53  10.510   1.666 -11.861
  409   2HH1  ARG  53          2HH1      ARG  53  10.218   2.248 -13.466
  410   1HH2  ARG  53          1HH2      ARG  53   6.745   2.387 -13.097
  411   2HH2  ARG  53          2HH2      ARG  53   8.078   2.660 -14.168
  412    H    TYR  54           H        TYR  54   9.269  -3.068  -7.079
  413    HA   TYR  54           HA       TYR  54  11.950  -3.172  -7.791
  414   1HB   TYR  54          2HB       TYR  54  10.953  -0.530  -6.894
  415   2HB   TYR  54          1HB       TYR  54  12.408  -1.104  -6.086
  416    HD1  TYR  54           1HD      TYR  54  14.221  -2.112  -7.794
  417    HD2  TYR  54           2HD      TYR  54  11.245   0.765  -8.777
  418    HE1  TYR  54           1HE      TYR  54  15.579  -1.369  -9.705
  419    HE2  TYR  54           2HE      TYR  54  12.595   1.516 -10.690
  420    HH   TYR  54           HH       TYR  54  14.865   1.492 -11.465
  421    H    ASP  55           H        ASP  55  13.312  -3.259  -5.640
  422    HA   ASP  55           HA       ASP  55  11.636  -4.712  -3.730
  423   1HB   ASP  55          2HB       ASP  55  13.687  -5.697  -2.882
  424   2HB   ASP  55          1HB       ASP  55  13.607  -5.897  -4.630
  425    H    GLY  56           H        GLY  56  11.017  -3.752  -1.928
  426   1HA   GLY  56          2HA       GLY  56  12.730  -1.608  -0.846
  427   2HA   GLY  56          1HA       GLY  56  10.986  -1.434  -0.942
  428    H    VAL  57           H        VAL  57  12.299  -1.062   1.425
  429    HA   VAL  57           HA       VAL  57  11.888  -3.532   2.956
  430    HB   VAL  57           HB       VAL  57  13.182  -0.941   3.819
  431   1HG1  VAL  57          1HG1      VAL  57  14.056  -2.597   5.643
  432   2HG1  VAL  57          2HG1      VAL  57  12.604  -3.509   5.226
  433   3HG1  VAL  57          3HG1      VAL  57  12.467  -1.850   5.808
  434   1HG2  VAL  57          1HG2      VAL  57  14.185  -3.266   2.388
  435   2HG2  VAL  57          2HG2      VAL  57  15.088  -2.935   3.867
  436   3HG2  VAL  57          3HG2      VAL  57  14.923  -1.684   2.635
  437    H    ILE  58           H        ILE  58  10.088  -3.819   4.069
  438    HA   ILE  58           HA       ILE  58   8.345  -1.523   4.619
  439    HB   ILE  58           HB       ILE  58   7.558  -4.400   4.992
  440   1HG1  ILE  58          2HG1      ILE  58   7.544  -2.786   2.436
  441   2HG1  ILE  58          1HG1      ILE  58   8.432  -4.274   2.737
  442   1HG2  ILE  58          1HG2      ILE  58   6.242  -1.792   5.021
  443   2HG2  ILE  58          2HG2      ILE  58   5.739  -3.322   5.737
  444   3HG2  ILE  58          3HG2      ILE  58   5.407  -2.993   4.037
  445   1HD1  ILE  58          1HD1      ILE  58   6.727  -5.455   1.999
  446   2HD1  ILE  58          2HD1      ILE  58   5.858  -3.959   1.655
  447   3HD1  ILE  58          3HD1      ILE  58   5.675  -4.745   3.224
  448    H    LYS  59           H        LYS  59   8.128  -0.750   6.600
  449    HA   LYS  59           HA       LYS  59   9.418  -2.190   8.791
  450   1HB   LYS  59          2HB       LYS  59  10.120   0.109   8.369
  451   2HB   LYS  59          1HB       LYS  59   8.472   0.668   8.615
  452   1HG   LYS  59          2HG       LYS  59   8.793  -0.546  10.942
  453   2HG   LYS  59          1HG       LYS  59  10.493  -0.220  10.594
  454   1HD   LYS  59          2HD       LYS  59   9.138   2.144   9.970
  455   2HD   LYS  59          1HD       LYS  59   8.423   1.581  11.482
  456   1HE   LYS  59          2HE       LYS  59  10.167   2.597  12.456
  457   2HE   LYS  59          1HE       LYS  59  11.084   1.184  11.935
  458   1HZ   LYS  59          1HZ       LYS  59  10.904   3.824  10.605
  459   2HZ   LYS  59          2HZ       LYS  59  11.522   2.456   9.827
  460   3HZ   LYS  59          3HZ       LYS  59  12.283   3.055  11.214
  461    H    LYS  60           H        LYS  60   6.210  -0.925   7.926
  462    HA   LYS  60           HA       LYS  60   5.079  -2.593   9.979
  463   1HB   LYS  60          2HB       LYS  60   3.828  -0.405  10.868
  464   2HB   LYS  60          1HB       LYS  60   5.315  -1.012  11.578
  465   1HG   LYS  60          2HG       LYS  60   5.679   1.273  11.346
  466   2HG   LYS  60          1HG       LYS  60   6.520   0.566   9.967
  467   1HD   LYS  60          2HD       LYS  60   5.293   1.779   8.567
  468   2HD   LYS  60          1HD       LYS  60   3.811   1.089   9.235
  469   1HE   LYS  60          2HE       LYS  60   4.360   2.830  11.176
  470   2HE   LYS  60          1HE       LYS  60   5.157   3.660   9.841
  471   1HZ   LYS  60          1HZ       LYS  60   3.124   3.726   8.633
  472   2HZ   LYS  60          2HZ       LYS  60   2.801   4.302  10.191
  473   3HZ   LYS  60          3HZ       LYS  60   2.340   2.734   9.758
  474    H    LEU  61           H        LEU  61   2.932  -2.963   9.831
  475    HA   LEU  61           HA       LEU  61   1.371  -1.562   7.798
  476   1HB   LEU  61          2HB       LEU  61   1.605  -4.567   7.992
  477   2HB   LEU  61          1HB       LEU  61   0.501  -3.700   6.940
  478    HG   LEU  61           HG       LEU  61   3.183  -2.792   6.454
  479   1HD1  LEU  61          1HD1      LEU  61   4.353  -4.700   5.925
  480   2HD1  LEU  61          2HD1      LEU  61   2.899  -5.694   5.823
  481   3HD1  LEU  61          3HD1      LEU  61   3.520  -5.197   7.397
  482   1HD2  LEU  61          1HD2      LEU  61   1.759  -4.486   4.507
  483   2HD2  LEU  61          2HD2      LEU  61   2.501  -2.899   4.304
  484   3HD2  LEU  61          3HD2      LEU  61   0.910  -3.040   5.054
  485    H    TYR  62           H        TYR  62  -0.633  -1.079   8.551
  486    HA   TYR  62           HA       TYR  62  -1.467  -2.405  11.043
  487   1HB   TYR  62          2HB       TYR  62  -1.009   0.087  11.055
  488   2HB   TYR  62          1HB       TYR  62  -2.432   0.269  10.034
  489    HD1  TYR  62           1HD      TYR  62  -4.349   0.904  11.130
  490    HD2  TYR  62           2HD      TYR  62  -1.531  -1.524  13.194
  491    HE1  TYR  62           1HE      TYR  62  -5.782   0.953  13.129
  492    HE2  TYR  62           2HE      TYR  62  -2.956  -1.483  15.199
  493    HH   TYR  62           HH       TYR  62  -4.815   0.255  16.103
  494    H    TYR  63           H        TYR  63  -2.554  -1.476   7.836
  495    HA   TYR  63           HA       TYR  63  -5.246  -2.424   8.351
  496   1HB   TYR  63          2HB       TYR  63  -3.951  -1.355   5.837
  497   2HB   TYR  63          1HB       TYR  63  -5.656  -1.777   5.986
  498    HD1  TYR  63           1HD      TYR  63  -7.174  -0.136   6.623
  499    HD2  TYR  63           2HD      TYR  63  -3.062   0.382   7.577
  500    HE1  TYR  63           1HE      TYR  63  -7.661   2.118   7.480
  501    HE2  TYR  63           2HE      TYR  63  -3.534   2.635   8.433
  502    HH   TYR  63           HH       TYR  63  -5.082   4.276   8.565
  503    H    ASN  64           H        ASN  64  -6.093  -4.325   7.766
  504    HA   ASN  64           HA       ASN  64  -4.357  -6.211   6.320
  505   1HB   ASN  64          2HB       ASN  64  -6.416  -6.791   8.454
  506   2HB   ASN  64          1HB       ASN  64  -5.489  -8.012   7.580
  507   1HD2  ASN  64          1HD2      ASN  64  -3.370  -8.364   8.102
  508   2HD2  ASN  64          2HD2      ASN  64  -2.606  -7.669   9.487
  509    H    LEU  65           H        LEU  65  -5.980  -8.222   5.815
  510    HA   LEU  65           HA       LEU  65  -7.354  -7.544   3.525
  511   1HB   LEU  65          2HB       LEU  65  -7.560  -9.930   5.346
  512   2HB   LEU  65          1HB       LEU  65  -8.345  -9.841   3.790
  513    HG   LEU  65           HG       LEU  65  -5.721  -9.222   3.195
  514   1HD1  LEU  65          1HD1      LEU  65  -5.197 -11.690   4.564
  515   2HD1  LEU  65          2HD1      LEU  65  -5.685 -10.443   5.712
  516   3HD1  LEU  65          3HD1      LEU  65  -4.320 -10.163   4.633
  517   1HD2  LEU  65          1HD2      LEU  65  -7.539 -10.838   2.193
  518   2HD2  LEU  65          2HD2      LEU  65  -6.633 -12.054   3.093
  519   3HD2  LEU  65          3HD2      LEU  65  -5.824 -11.083   1.863
  520    H    ASP  66           H        ASP  66  -8.428  -7.439   6.820
  521    HA   ASP  66           HA       ASP  66 -11.231  -7.296   5.984
  522   1HB   ASP  66          2HB       ASP  66 -10.078  -8.548   8.122
  523   2HB   ASP  66          1HB       ASP  66 -10.644  -7.049   8.852
  524    H    ASP  67           H        ASP  67  -8.659  -5.287   7.159
  525    HA   ASP  67           HA       ASP  67 -10.350  -3.170   8.072
  526   1HB   ASP  67          2HB       ASP  67  -7.426  -3.009   7.352
  527   2HB   ASP  67          1HB       ASP  67  -8.330  -1.893   8.368
  528    H    ILE  68           H        ILE  68 -10.654  -1.148   7.194
  529    HA   ILE  68           HA       ILE  68 -10.450  -1.007   4.258
  530    HB   ILE  68           HB       ILE  68 -12.341   0.511   6.052
  531   1HG1  ILE  68          2HG1      ILE  68 -12.459  -2.200   5.156
  532   2HG1  ILE  68          1HG1      ILE  68 -13.633  -1.314   6.111
  533   1HG2  ILE  68          1HG2      ILE  68 -11.907   0.437   3.088
  534   2HG2  ILE  68          2HG2      ILE  68 -12.016   1.822   4.167
  535   3HG2  ILE  68          3HG2      ILE  68 -13.468   0.906   3.766
  536   1HD1  ILE  68          1HD1      ILE  68 -14.518  -2.408   4.045
  537   2HD1  ILE  68          2HD1      ILE  68 -13.565  -1.259   3.106
  538   3HD1  ILE  68          3HD1      ILE  68 -14.847  -0.679   4.171
  539    H    ALA  69           H        ALA  69  -9.670   0.810   3.299
  540    HA   ALA  69           HA       ALA  69  -8.474   2.816   5.092
  541   1HB   ALA  69          1HB       ALA  69  -7.366   1.897   2.442
  542   2HB   ALA  69          2HB       ALA  69  -6.795   1.348   4.018
  543   3HB   ALA  69          3HB       ALA  69  -6.626   3.043   3.561
  544    H    TYR  70           H        TYR  70  -8.446   4.971   4.355
  545    HA   TYR  70           HA       TYR  70 -10.316   5.531   2.148
  546   1HB   TYR  70          2HB       TYR  70 -11.103   7.478   3.333
  547   2HB   TYR  70          1HB       TYR  70 -11.223   6.091   4.410
  548    HD1  TYR  70           1HD      TYR  70 -10.061   6.046   6.473
  549    HD2  TYR  70           2HD      TYR  70  -9.226   9.111   3.644
  550    HE1  TYR  70           1HE      TYR  70  -8.758   7.251   8.174
  551    HE2  TYR  70           2HE      TYR  70  -7.918  10.325   5.337
  552    HH   TYR  70           HH       TYR  70  -7.606  10.483   7.660
  553    H    VAL  71           H        VAL  71  -9.763   7.108   0.692
  554    HA   VAL  71           HA       VAL  71  -7.046   7.592   0.229
  555    HB   VAL  71           HB       VAL  71  -9.260   9.322  -0.852
  556   1HG1  VAL  71          1HG1      VAL  71  -7.831   9.603  -2.747
  557   2HG1  VAL  71          2HG1      VAL  71  -6.703   8.391  -2.142
  558   3HG1  VAL  71          3HG1      VAL  71  -6.879   9.929  -1.299
  559   1HG2  VAL  71          1HG2      VAL  71  -9.128   6.523  -1.039
  560   2HG2  VAL  71          2HG2      VAL  71  -8.591   7.147  -2.596
  561   3HG2  VAL  71          3HG2      VAL  71 -10.163   7.616  -1.953
  562    H    GLY  72           H        GLY  72  -5.673   9.230   0.700
  563   1HA   GLY  72          2HA       GLY  72  -5.361  11.604   1.183
  564   2HA   GLY  72          1HA       GLY  72  -6.777  11.509   2.214
  565    H    LYS  73           H        LYS  73  -4.899   8.741   2.651
  566    HA   LYS  73           HA       LYS  73  -3.059   9.915   4.537
  567   1HB   LYS  73          2HB       LYS  73  -5.637   9.028   5.410
  568   2HB   LYS  73          1HB       LYS  73  -4.399   8.000   6.118
  569   1HG   LYS  73          2HG       LYS  73  -3.269  10.347   6.613
  570   2HG   LYS  73          1HG       LYS  73  -4.951  10.877   6.544
  571   1HD   LYS  73          2HD       LYS  73  -4.934  10.307   8.730
  572   2HD   LYS  73          1HD       LYS  73  -5.210   8.686   8.090
  573   1HE   LYS  73          2HE       LYS  73  -3.448   8.466   9.639
  574   2HE   LYS  73          1HE       LYS  73  -2.690   8.424   8.048
  575   1HZ   LYS  73          1HZ       LYS  73  -2.702  11.069   8.723
  576   2HZ   LYS  73          2HZ       LYS  73  -1.374  10.026   8.807
  577   3HZ   LYS  73          3HZ       LYS  73  -2.327  10.291  10.179
  578    HA   PRO  74           HA       PRO  74  -0.981   6.156   3.237
  579   1HB   PRO  74          2HB       PRO  74   1.159   6.828   5.080
  580   2HB   PRO  74          1HB       PRO  74   1.172   6.859   3.316
  581   1HG   PRO  74          2HG       PRO  74   1.291   9.102   4.857
  582   2HG   PRO  74          1HG       PRO  74   0.608   9.072   3.222
  583   1HD   PRO  74          2HD       PRO  74  -0.793   9.055   5.867
  584   2HD   PRO  74          1HD       PRO  74  -1.214   9.901   4.363
  585    H    LEU  75           H        LEU  75  -0.552   4.102   4.110
  586    HA   LEU  75           HA       LEU  75  -1.205   3.841   6.966
  587   1HB   LEU  75          2HB       LEU  75  -2.101   1.563   6.380
  588   2HB   LEU  75          1HB       LEU  75  -3.055   2.933   5.855
  589    HG   LEU  75           HG       LEU  75  -2.901   1.053   4.214
  590   1HD1  LEU  75          1HD1      LEU  75  -2.649   3.854   3.779
  591   2HD1  LEU  75          2HD1      LEU  75  -3.470   2.646   2.792
  592   3HD1  LEU  75          3HD1      LEU  75  -1.763   2.998   2.518
  593   1HD2  LEU  75          1HD2      LEU  75  -0.953   0.470   3.134
  594   2HD2  LEU  75          2HD2      LEU  75  -0.387   0.735   4.781
  595   3HD2  LEU  75          3HD2      LEU  75  -0.141   1.977   3.554
  596    H    VAL  76           H        VAL  76   1.084   3.124   4.499
  597    HA   VAL  76           HA       VAL  76   2.604   1.600   6.497
  598    HB   VAL  76           HB       VAL  76   1.541  -0.081   5.095
  599   1HG1  VAL  76          1HG1      VAL  76   2.942   0.250   2.650
  600   2HG1  VAL  76          2HG1      VAL  76   2.115   1.763   3.022
  601   3HG1  VAL  76          3HG1      VAL  76   1.201   0.257   2.931
  602   1HG2  VAL  76          1HG2      VAL  76   4.254  -0.320   4.035
  603   2HG2  VAL  76          2HG2      VAL  76   3.369  -1.374   5.136
  604   3HG2  VAL  76          3HG2      VAL  76   4.194   0.054   5.757
  605    H    ASP  77           H        ASP  77   4.790   1.777   6.426
  606    HA   ASP  77           HA       ASP  77   5.878   3.771   4.557
  607   1HB   ASP  77          2HB       ASP  77   6.916   2.870   7.256
  608   2HB   ASP  77          1HB       ASP  77   7.695   4.060   6.217
  609    H    ILE  78           H        ILE  78   7.298   3.127   3.073
  610    HA   ILE  78           HA       ILE  78   8.784   0.627   3.465
  611    HB   ILE  78           HB       ILE  78   7.666   1.182   0.758
  612   1HG1  ILE  78          2HG1      ILE  78   5.777  -0.503   1.593
  613   2HG1  ILE  78          1HG1      ILE  78   6.088   0.301   3.131
  614   1HG2  ILE  78          1HG2      ILE  78   9.121  -0.595   0.697
  615   2HG2  ILE  78          2HG2      ILE  78   7.571  -1.411   0.905
  616   3HG2  ILE  78          3HG2      ILE  78   8.641  -1.183   2.288
  617   1HD1  ILE  78          1HD1      ILE  78   4.592   1.214   0.864
  618   2HD1  ILE  78          2HD1      ILE  78   5.883   2.352   1.258
  619   3HD1  ILE  78          3HD1      ILE  78   4.705   1.891   2.489
  620    H    GLU  79           H        GLU  79  10.764   0.497   2.286
  621    HA   GLU  79           HA       GLU  79  11.704   3.122   1.366
  622   1HB   GLU  79          2HB       GLU  79  13.069   0.656   2.387
  623   2HB   GLU  79          1HB       GLU  79  13.964   1.789   1.384
  624   1HG   GLU  79          2HG       GLU  79  12.819   3.454   3.206
  625   2HG   GLU  79          1HG       GLU  79  13.108   2.005   4.168
  626    H    THR  80           H        THR  80  11.525   3.466  -0.737
  627    HA   THR  80           HA       THR  80  12.409   1.406  -2.610
  628    HB   THR  80           HB       THR  80  10.422   2.132  -4.117
  629    HG1  THR  80           1HG      THR  80   9.748   3.766  -2.516
  630   1HG2  THR  80          1HG2      THR  80   9.051   0.513  -2.243
  631   2HG2  THR  80          2HG2      THR  80  10.753   0.057  -2.176
  632   3HG2  THR  80          3HG2      THR  80   9.887   0.004  -3.710
  633    H    GLU  81           H        GLU  81  12.933   2.263  -4.741
  634    HA   GLU  81           HA       GLU  81  14.406   4.627  -4.649
  635   1HB   GLU  81          2HB       GLU  81  14.326   2.613  -6.385
  636   2HB   GLU  81          1HB       GLU  81  13.295   3.733  -7.267
  637   1HG   GLU  81          2HG       GLU  81  15.010   5.035  -7.858
  638   2HG   GLU  81          1HG       GLU  81  15.764   4.934  -6.267
  639    H    ALA  82           H        ALA  82  13.807   6.676  -4.626
  640    HA   ALA  82           HA       ALA  82  11.326   7.715  -4.485
  641   1HB   ALA  82          1HB       ALA  82  13.923   8.828  -5.352
  642   2HB   ALA  82          2HB       ALA  82  12.859   9.314  -4.032
  643   3HB   ALA  82          3HB       ALA  82  12.486   9.794  -5.687
  644    H    LEU  83           H        LEU  83   9.607   7.640  -5.738
  645    HA   LEU  83           HA       LEU  83   9.970   7.550  -8.650
  646   1HB   LEU  83          2HB       LEU  83   8.474   5.919  -7.003
  647   2HB   LEU  83          1HB       LEU  83   7.274   6.993  -7.698
  648    HG   LEU  83           HG       LEU  83   7.896   6.323  -9.934
  649   1HD1  LEU  83          1HD1      LEU  83   9.590   4.274  -9.936
  650   2HD1  LEU  83          2HD1      LEU  83  10.217   5.129  -8.526
  651   3HD1  LEU  83          3HD1      LEU  83  10.132   5.945 -10.088
  652   1HD2  LEU  83          1HD2      LEU  83   6.416   4.842  -8.407
  653   2HD2  LEU  83          2HD2      LEU  83   7.788   3.734  -8.430
  654   3HD2  LEU  83          3HD2      LEU  83   6.994   4.183  -9.938
  655    H    LYS  84           H        LYS  84   8.764   8.841  -9.985
  656    HA   LYS  84           HA       LYS  84   8.689  11.369  -9.975
  657   1HB   LYS  84          2HB       LYS  84   7.280   9.624 -11.416
  658   2HB   LYS  84          1HB       LYS  84   5.954  10.426 -10.585
  659   1HG   LYS  84          2HG       LYS  84   6.168  11.646 -12.536
  660   2HG   LYS  84          1HG       LYS  84   7.072  12.609 -11.366
  661   1HD   LYS  84          2HD       LYS  84   8.794  12.530 -12.777
  662   2HD   LYS  84          1HD       LYS  84   8.936  10.815 -12.388
  663   1HE   LYS  84          2HE       LYS  84   8.354  10.265 -14.461
  664   2HE   LYS  84          1HE       LYS  84   6.850  11.172 -14.308
  665   1HZ   LYS  84          1HZ       LYS  84   8.169  11.977 -16.156
  666   2HZ   LYS  84          2HZ       LYS  84   9.476  12.291 -15.130
  667   3HZ   LYS  84          3HZ       LYS  84   8.042  13.174 -14.966
  668    H    ASP  85           H        ASP  85   6.021   9.825  -8.059
  669    HA   ASP  85           HA       ASP  85   5.558  12.529  -6.977
  670   1HB   ASP  85          2HB       ASP  85   3.745  10.138  -7.188
  671   2HB   ASP  85          1HB       ASP  85   3.360  11.521  -6.167
  672    H    LEU  86           H        LEU  86   5.418   9.149  -5.799
  673    HA   LEU  86           HA       LEU  86   6.705  10.071  -3.335
  674   1HB   LEU  86          2HB       LEU  86   4.150  10.009  -3.161
  675   2HB   LEU  86          1HB       LEU  86   4.316   8.263  -3.190
  676    HG   LEU  86           HG       LEU  86   5.610   8.295  -1.150
  677   1HD1  LEU  86          1HD1      LEU  86   6.919  10.114  -0.945
  678   2HD1  LEU  86          2HD1      LEU  86   5.541  10.749  -0.047
  679   3HD1  LEU  86          3HD1      LEU  86   5.757  11.173  -1.746
  680   1HD2  LEU  86          1HD2      LEU  86   3.181   8.268  -0.931
  681   2HD2  LEU  86          2HD2      LEU  86   3.154  10.031  -0.918
  682   3HD2  LEU  86          3HD2      LEU  86   3.924   9.151   0.405
  683    H    GLU  87           H        GLU  87   5.862   7.384  -5.438
  684    HA   GLU  87           HA       GLU  87   8.216   5.991  -5.112
  685   1HB   GLU  87          2HB       GLU  87   7.368   4.075  -3.674
  686   2HB   GLU  87          1HB       GLU  87   7.776   5.566  -2.839
  687   1HG   GLU  87          2HG       GLU  87   5.698   5.854  -2.098
  688   2HG   GLU  87          1HG       GLU  87   4.993   5.466  -3.666