*HEADER    STRUCTURAL PROTEIN                      25-OCT-06   2JM9              
*TITLE     R21A SPC-SH3 BOUND                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SPECTRIN ALPHA CHAIN, BRAIN;                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: SH3 DOMAIN, RESIDUES 965-1025;                             
*COMPND   5 SYNONYM: SPECTRIN, NON-ERYTHROID ALPHA CHAIN, FODRIN ALPHA           
*COMPND   6 CHAIN, ALPHA SPECTRIN;                                               
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   3 ORGANISM_COMMON: CHICKEN;                                            
*SOURCE   4 GENE: SPTAN1, SPTA2;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET3D                                     
*KEYWDS    SH3 DOMAIN, P41-BOUND                                                 
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.A.J.VAN NULAND, S.CASARES, E.AB, H.ESHUIS, O.LOPEZ-                 
*AUTHOR   2 MAYORGA, F.CONEJERO-LARA                                             
*REVDAT   1   24-APR-07 2JM9    0                                                


 ASSI {    1}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     0.400     0.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.21924E-02 ppm1      9.543 ppm2      4.902 CV     1
 ASSI {    2}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.200     0.200     0.200 peak     2 spectrum    1 weight  0.10000E+01 volume  0.10707E-01 ppm1      9.456 ppm2      4.335 CV     1
 ASSI {    4}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.200     0.200     0.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.77145E-02 ppm1      9.350 ppm2      4.980 CV     1
 ASSI {    6}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.400     0.400 peak     6 spectrum    1 weight  0.10000E+01 volume  0.23504E-02 ppm1      9.246 ppm2      4.481 CV     1
 ASSI {    7}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     0.400     0.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.18862E-02 ppm1      9.239 ppm2      3.826 CV     1
 ASSI {   11}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     0.400     0.400 peak    11 spectrum    1 weight  0.10000E+01 volume  0.22631E-02 ppm1      9.089 ppm2      4.589 CV     1
 ASSI {   12}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      3.200     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.10266E-02 ppm1      9.070 ppm2      4.790 CV     1
 ASSI {   13}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.000     0.400     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.15617E-02 ppm1      9.069 ppm2      4.517 CV     1
 ASSI {   14}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     0.400     0.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.19669E-02 ppm1      9.019 ppm2      4.388 CV     1
 ASSI {   15}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     0.500     0.500 peak    15 spectrum    1 weight  0.10000E+01 volume  0.14766E-02 ppm1      9.011 ppm2      5.111 CV     1
 ASSI {   16}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     0.500     0.500 peak    16 spectrum    1 weight  0.10000E+01 volume  0.10473E-02 ppm1      8.865 ppm2      4.239 CV     1
 ASSI {   17}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.400     0.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.27042E-02 ppm1      8.917 ppm2      4.496 CV     1
 ASSI {   18}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     0.400     0.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.27042E-02 ppm1      8.891 ppm2      4.743 CV     1
 ASSI {   19}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.400     0.400 peak    19 spectrum    1 weight  0.10000E+01 volume  0.24656E-02 ppm1      8.895 ppm2      4.476 CV     1
 ASSI {   20}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      2.900     0.400     0.400 peak    20 spectrum    1 weight  0.10000E+01 volume  0.36573E-02 ppm1      8.896 ppm2      3.532 CV     1
 ASSI {   22}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     0.500     0.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.19702E-02 ppm1      8.717 ppm2      4.830 CV     1
 ASSI {   24}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.400     0.300     0.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.53510E-02 ppm1      8.611 ppm2      5.385 CV     1
 ASSI {   25}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.300     0.300 peak    25 spectrum    1 weight  0.10000E+01 volume  0.72981E-02 ppm1      8.620 ppm2      4.653 CV     1
 ASSI {   26}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     0.500     0.500 peak    26 spectrum    1 weight  0.10000E+01 volume  0.14940E-02 ppm1      8.671 ppm2      4.520 CV     1
 ASSI {   27}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.000     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.14346E-02 ppm1      8.658 ppm2      4.848 CV     1
 ASSI {   28}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     0.600     0.600 peak    28 spectrum    1 weight  0.10000E+01 volume  0.69689E-03 ppm1      8.626 ppm2      4.462 CV     1
 ASSI {   29}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.800     0.400     0.400 peak    29 spectrum    1 weight  0.10000E+01 volume  0.24837E-02 ppm1      8.605 ppm2      3.910 CV     1
 ASSI {   30}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.000     0.400     0.400 peak    30 spectrum    1 weight  0.10000E+01 volume  0.16448E-02 ppm1      8.554 ppm2      5.530 CV     1
 ASSI {   32}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.600     0.300     0.300 peak    32 spectrum    1 weight  0.10000E+01 volume  0.40342E-02 ppm1      8.428 ppm2      4.577 CV     1
 ASSI {   33}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.500     0.300     0.300 peak    33 spectrum    1 weight  0.10000E+01 volume  0.43058E-02 ppm1      8.411 ppm2      4.046 CV     1
 ASSI {   34}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.900     0.400     0.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.17447E-02 ppm1      8.412 ppm2      4.610 CV     1
 ASSI {   35}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.000     0.400     0.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.17644E-02 ppm1      8.609 ppm2      4.434 CV     1
 ASSI {   36}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
      2.600     0.300     0.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.49099E-02 ppm1      8.433 ppm2      3.961 CV     1
 OR {   36}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
 ASSI {   37}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.400     0.400 peak    37 spectrum    1 weight  0.10000E+01 volume  0.22286E-02 ppm1      8.501 ppm2      4.653 CV     1
 ASSI {   38}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.300     0.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.80779E-02 ppm1      8.351 ppm2      4.520 CV     1
 ASSI {   39}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.300     0.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.72471E-02 ppm1      8.241 ppm2      4.902 CV     1
 ASSI {   41}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      8.457 ppm2      4.551 CV     1
 ASSI {   43}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.700     0.400     0.400 peak    43 spectrum    1 weight  0.10000E+01 volume  0.31849E-02 ppm1      8.204 ppm2      4.296 CV     1
 ASSI {   44}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     0.500     0.500 peak    44 spectrum    1 weight  0.10000E+01 volume  0.14830E-02 ppm1      8.217 ppm2      4.981 CV     1
 ASSI {   45}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.800     0.400     0.400 peak    45 spectrum    1 weight  0.10000E+01 volume  0.24426E-02 ppm1      8.185 ppm2      4.693 CV     1
 ASSI {   46}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.94692E-03 ppm1      8.314 ppm2      5.210 CV     1
 ASSI {   47}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     0.400     0.400 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29133E-02 ppm1      8.077 ppm2      4.532 CV     1
 ASSI {   48}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     0.500     0.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      8.026 ppm2      4.381 CV     1
 ASSI {   50}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.500     0.600     0.600 peak    50 spectrum    1 weight  0.10000E+01 volume  0.10499E-02 ppm1      8.228 ppm2      4.224 CV     1
 ASSI {   51}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      2.700     0.400     0.400 peak    51 spectrum    1 weight  0.10000E+01 volume  0.41412E-02 ppm1      8.208 ppm2      4.119 CV     1
 ASSI {   52}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.100     0.500     0.500 peak    52 spectrum    1 weight  0.10000E+01 volume  0.12548E-02 ppm1      7.892 ppm2      5.478 CV     1
 ASSI {   53}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.500     0.600     0.600 peak    53 spectrum    1 weight  0.10000E+01 volume  0.81526E-03 ppm1      7.764 ppm2      4.193 CV     1
 ASSI {   54}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.100     0.500     0.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      7.764 ppm2      3.897 CV     1
 ASSI {   55}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.400     0.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.32606E-02 ppm1      7.765 ppm2      4.896 CV     1
 ASSI {   56}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.300     0.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.45559E-02 ppm1      7.572 ppm2      4.542 CV     1
 ASSI {   57}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      3.300     0.600     0.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.78364E-03 ppm1      7.923 ppm2      4.763 CV     1
 ASSI {   58}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     0.400     0.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.18682E-02 ppm1      7.541 ppm2      4.573 CV     1
 ASSI {   59}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.300     0.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.35881E-02 ppm1      7.563 ppm2      4.725 CV     1
 ASSI {   60}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      2.400     0.300     0.300 peak    60 spectrum    1 weight  0.10000E+01 volume  0.67253E-02 ppm1      7.574 ppm2      4.002 CV     1
 ASSI {   61}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.900     0.400     0.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.21677E-02 ppm1      7.574 ppm2      5.035 CV     1
 ASSI {   62}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.900     0.400     0.400 peak    62 spectrum    1 weight  0.10000E+01 volume  0.18237E-02 ppm1      7.482 ppm2      5.549 CV     1
 ASSI {   63}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     0.400     0.400 peak    63 spectrum    1 weight  0.10000E+01 volume  0.22879E-02 ppm1      7.479 ppm2      4.582 CV     1
 ASSI {   64}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HA  ))
      3.700     0.700     0.700 peak    64 spectrum    1 weight  0.10000E+01 volume  0.10534E-02 ppm1      7.214 ppm2      4.723 CV     1
 ASSI {   65}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     0.400     0.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.23521E-02 ppm1      7.095 ppm2      4.745 CV     1
 ASSI {   66}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.300     0.300     0.300 peak    66 spectrum    1 weight  0.10000E+01 volume  0.87663E-02 ppm1      8.554 ppm2      4.691 CV     1
 ASSI {   67}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.700     0.400     0.400 peak    67 spectrum    1 weight  0.10000E+01 volume  0.36063E-02 ppm1      7.735 ppm2      2.724 CV     1
 ASSI {   68}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.500     0.300     0.300 peak    68 spectrum    1 weight  0.10000E+01 volume  0.43156E-02 ppm1      8.871 ppm2      3.308 CV     1
 ASSI {   69}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.400     0.600     0.600 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10662E-02 ppm1      9.456 ppm2      2.874 CV     1
 ASSI {   70}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.700     0.700     0.700 peak    70 spectrum    1 weight  0.10000E+01 volume  0.98363E-03 ppm1      9.456 ppm2      3.056 CV     1
 ASSI {   71}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.000     3.000     3.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.91580E-03 ppm1      9.350 ppm2      1.624 CV     1
 ASSI {   72}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.700     0.700     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      9.350 ppm2      1.469 CV     1
 ASSI {   73}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      3.500     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.74925E-03 ppm1      9.542 ppm2      1.926 CV     1
 ASSI {   74}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      4.000     0.800     0.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.59204E-03 ppm1      9.543 ppm2      2.149 CV     1
 ASSI {   75}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.600     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.82955E-03 ppm1      9.544 ppm2      2.565 CV     1
 ASSI {   76}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
      2.900     0.400     0.400 peak    76 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      9.539 ppm2      2.759 CV     1
 ASSI {   77}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB3 ))
      3.600     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.21199E-02 ppm1      9.571 ppm2      2.811 CV     1
 ASSI {   78}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.500     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.22352E-02 ppm1      9.386 ppm2      2.440 CV     1
 ASSI {   79}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     2.900     3.100 peak    79 spectrum    1 weight  0.10000E+01 volume  0.13149E-02 ppm1      9.385 ppm2      3.000 CV     1
 ASSI {   80}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.900     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.13538E-02 ppm1      9.240 ppm2      0.450 CV     1
 ASSI {   81}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.500     0.300     0.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.29034E-02 ppm1      9.242 ppm2      1.060 CV     1
 ASSI {   82}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     2.900     3.100 peak    82 spectrum    1 weight  0.10000E+01 volume  0.14315E-02 ppm1      9.240 ppm2      0.610 CV     1
 ASSI {   83}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      2.700     0.400     0.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.23175E-02 ppm1      9.246 ppm2      2.059 CV     1
 ASSI {   84}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB3 ))
      3.100     0.500     0.500 peak    84 spectrum    1 weight  0.10000E+01 volume  0.43107E-02 ppm1      9.247 ppm2      1.854 CV     1
 ASSI {   86}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      2.400     0.300     0.300 peak    86 spectrum    1 weight  0.10000E+01 volume  0.47930E-02 ppm1      9.174 ppm2      0.816 CV     1
 ASSI {   88}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      2.500     0.300     0.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.33347E-02 ppm1      9.012 ppm2      2.019 CV     1
 ASSI {   89}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      4.100     0.800     0.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.51485E-03 ppm1      9.169 ppm2      2.899 CV     1
 ASSI {   90}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.300     0.300     0.300 peak    90 spectrum    1 weight  0.10000E+01 volume  0.71895E-02 ppm1      9.091 ppm2      1.673 CV     1
 ASSI {   91}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      4.000     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.54036E-03 ppm1      9.075 ppm2      1.802 CV     1
 ASSI {   92}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.500     0.300     0.300 peak    92 spectrum    1 weight  0.10000E+01 volume  0.31717E-02 ppm1      9.067 ppm2      1.421 CV     1
 ASSI {   93}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.600     2.600     3.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.36112E-02 ppm1      9.018 ppm2      1.818 CV     1
 OR {   93}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
 ASSI {   94}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.400     0.300     0.300 peak    94 spectrum    1 weight  0.10000E+01 volume  0.67533E-02 ppm1      9.018 ppm2      1.141 CV     1
 ASSI {   95}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     0.400     0.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.37231E-02 ppm1      9.012 ppm2      1.716 CV     1
 ASSI {   96}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.700     0.400     0.400 peak    96 spectrum    1 weight  0.10000E+01 volume  0.21989E-02 ppm1      9.012 ppm2      1.393 CV     1
 ASSI {   97}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      4.100     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.52110E-03 ppm1      9.012 ppm2      1.238 CV     1
 ASSI {   98}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.400     0.400 peak    98 spectrum    1 weight  0.10000E+01 volume  0.21940E-02 ppm1      8.868 ppm2      1.466 CV     1
 ASSI {   99}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.000     0.500     0.500 peak    99 spectrum    1 weight  0.10000E+01 volume  0.14445E-02 ppm1      8.865 ppm2      1.008 CV     1
 ASSI {  100}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.900     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.96912E-03 ppm1      8.866 ppm2      0.970 CV     1
 ASSI {  102}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.200     0.500     0.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.15052E-02 ppm1      8.917 ppm2      2.116 CV     1
 ASSI {  103}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      2.600     2.600     3.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.31931E-02 ppm1      8.916 ppm2      0.961 CV     1
 ASSI {  104}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.700     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.12137E-02 ppm1      8.917 ppm2      1.029 CV     1
 ASSI {  105}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.700     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.56966E-03 ppm1      8.890 ppm2      2.880 CV     1
 ASSI {  106}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB3 ))
      3.800     0.700     0.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.60488E-03 ppm1      8.890 ppm2      2.786 CV     1
 ASSI {  107}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.300     0.500     0.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.11181E-02 ppm1      8.721 ppm2      3.114 CV     1
 ASSI {  108}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      3.200     0.500     0.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.12488E-02 ppm1      8.720 ppm2      3.001 CV     1
 ASSI {  109}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.800     0.400     0.400 peak   109 spectrum    1 weight  0.10000E+01 volume  0.32705E-02 ppm1      8.717 ppm2      2.809 CV     1
 ASSI {  110}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.700     0.400     0.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.23241E-02 ppm1      8.611 ppm2      1.856 CV     1
 ASSI {  111}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      4.000     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.87939E-03 ppm1      8.611 ppm2      2.341 CV     1
 ASSI {  112}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.500     0.600     0.600 peak   112 spectrum    1 weight  0.10000E+01 volume  0.10562E-02 ppm1      8.621 ppm2      3.104 CV     1
 ASSI {  114}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.800     0.700     0.700 peak   114 spectrum    1 weight  0.10000E+01 volume  0.10141E-02 ppm1      8.350 ppm2      2.055 CV     1
 ASSI {  115}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB3 ))
      3.100     0.500     0.500 peak   115 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      8.671 ppm2      2.018 CV     1
 ASSI {  116}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.000     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.36491E-03 ppm1      8.671 ppm2      2.375 CV     1
 ASSI {  117}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG3 ))
      4.200     0.900     0.900 peak   117 spectrum    1 weight  0.10000E+01 volume  0.74693E-03 ppm1      8.659 ppm2      1.388 CV     1
 ASSI {  119}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.500     0.600     0.600 peak   119 spectrum    1 weight  0.10000E+01 volume  0.17233E-02 ppm1      8.621 ppm2      2.975 CV     1
 ASSI {  120}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.600     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.57459E-03 ppm1      8.626 ppm2      2.175 CV     1
 ASSI {  122}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG3 ))
      4.200     0.900     0.900 peak   122 spectrum    1 weight  0.10000E+01 volume  0.47353E-03 ppm1      8.627 ppm2      2.458 CV     1
 OR {  122}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG2 ))
 ASSI {  125}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      3.500     0.600     0.600 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      8.554 ppm2      2.242 CV     1
 ASSI {  126}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.500     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.70512E-03 ppm1      8.554 ppm2      2.099 CV     1
 ASSI {  127}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.400     0.300     0.300 peak   127 spectrum    1 weight  0.10000E+01 volume  0.50103E-02 ppm1      8.504 ppm2      1.552 CV     1
 OR {  127}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  128}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      2.700     0.400     0.400 peak   128 spectrum    1 weight  0.10000E+01 volume  0.29561E-02 ppm1      8.503 ppm2      1.638 CV     1
 ASSI {  129}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 61   and name HD2%)
      3.800     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.12300E-02 ppm1      8.505 ppm2      0.874 CV     1
 ASSI {  130}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.600     2.600     3.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.45181E-02 ppm1      8.515 ppm2      1.831 CV     1
 ASSI {  131}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.700     0.400     0.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.37857E-02 ppm1      8.515 ppm2      1.797 CV     1
 ASSI {  132}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      2.700     0.400     0.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.34235E-02 ppm1      8.515 ppm2      1.458 CV     1
 OR {  132}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  133}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.400     0.300     0.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.49675E-02 ppm1      8.429 ppm2      2.898 CV     1
 ASSI {  134}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.400     0.600     0.600 peak   134 spectrum    1 weight  0.10000E+01 volume  0.26599E-02 ppm1      8.428 ppm2      2.631 CV     1
 ASSI {  135}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.800     0.700     0.700 peak   135 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      8.411 ppm2      1.140 CV     1
 ASSI {  136}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      3.500     0.600     0.600 peak   136 spectrum    1 weight  0.10000E+01 volume  0.14226E-02 ppm1      8.611 ppm2      1.628 CV     1
 ASSI {  137}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HG3 ))
      3.100     0.500     0.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.90920E-03 ppm1      8.610 ppm2      1.503 CV     1
 ASSI {  138}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
      3.800     0.700     0.700 peak   138 spectrum    1 weight  0.10000E+01 volume  0.13225E-02 ppm1      8.611 ppm2      1.688 CV     1
 OR {  138}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI {  139}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     2.900     3.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.23899E-02 ppm1      8.501 ppm2      2.976 CV     1
 ASSI {  140}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      2.700     0.400     0.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.38844E-02 ppm1      8.501 ppm2      2.737 CV     1
 ASSI {  141}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.200     0.500     0.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.12190E-02 ppm1      8.242 ppm2      1.743 CV     1
 OR {  141}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
 ASSI {  142}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG3 ))
      3.900     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.60653E-03 ppm1      8.247 ppm2      1.444 CV     1
 OR {  142}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG2 ))
 ASSI {  143}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD2 ))
      2.800     0.400     0.400 peak   143 spectrum    1 weight  0.10000E+01 volume  0.23767E-02 ppm1      8.241 ppm2      1.662 CV     1
 OR {  143}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HD3 ))
 ASSI {  144}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.300     0.300 peak   144 spectrum    1 weight  0.10000E+01 volume  0.30878E-02 ppm1      8.458 ppm2      2.888 CV     1
 ASSI {  145}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.800     0.700     0.700 peak   145 spectrum    1 weight  0.10000E+01 volume  0.13552E-02 ppm1      8.457 ppm2      1.980 CV     1
 ASSI {  146}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.300     0.600     0.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.10995E-02 ppm1      8.228 ppm2      1.209 CV     1
 ASSI {  147}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      2.500     0.300     0.300 peak   147 spectrum    1 weight  0.10000E+01 volume  0.51616E-02 ppm1      8.205 ppm2      1.322 CV     1
 ASSI {  148}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.600     0.400     0.400 peak   148 spectrum    1 weight  0.10000E+01 volume  0.33939E-02 ppm1      8.185 ppm2      1.899 CV     1
 OR {  148}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI {  149}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG2 ))
      3.200     0.500     0.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.96767E-03 ppm1      8.186 ppm2      1.741 CV     1
 ASSI {  150}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG3 ))
      4.200     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.76797E-03 ppm1      8.186 ppm2      1.673 CV     1
 ASSI {  151}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD2 ))
      4.600     1.100     1.100 peak   151 spectrum    1 weight  0.10000E+01 volume  0.33527E-03 ppm1      8.185 ppm2      3.307 CV     1
 OR {  151}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
 ASSI {  152}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      2.500     0.300     0.300 peak   152 spectrum    1 weight  0.10000E+01 volume  0.41461E-02 ppm1      8.218 ppm2      1.808 CV     1
 ASSI {  153}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      4.000     0.800     0.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.82397E-03 ppm1      8.217 ppm2      1.140 CV     1
 OR {  153}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HG13))
 ASSI {  154}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.000     3.000     3.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.15714E-02 ppm1      8.217 ppm2      0.898 CV     1
 ASSI {  156}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.200     0.500     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.85509E-03 ppm1      8.314 ppm2      3.023 CV     1
 ASSI {  158}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.600     0.600     0.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.90035E-03 ppm1      8.026 ppm2      1.802 CV     1
 ASSI {  159}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.600     0.600     0.600 peak   159 spectrum    1 weight  0.10000E+01 volume  0.63385E-03 ppm1      8.026 ppm2      1.403 CV     1
 ASSI {  160}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG3 ))
      4.000     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.54102E-03 ppm1      8.026 ppm2      1.338 CV     1
 ASSI {  161}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB3 ))
      3.100     0.500     0.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.22055E-02 ppm1      8.026 ppm2      1.691 CV     1
 ASSI {  162}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 56   and name HB% )
      2.300     0.300     0.300 peak   162 spectrum    1 weight  0.10000E+01 volume  0.98573E-02 ppm1      8.207 ppm2      1.355 CV     1
 ASSI {  163}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      2.300     0.300     0.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.10438E-01 ppm1      7.572 ppm2      1.410 CV     1
 ASSI {  164}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      2.800     0.400     0.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      7.922 ppm2      3.351 CV     1
 ASSI {  166}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     0.400     0.400 peak   166 spectrum    1 weight  0.10000E+01 volume  0.28474E-02 ppm1      7.539 ppm2      1.756 CV     1
 ASSI {  167}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.400     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.44737E-03 ppm1      7.539 ppm2      2.298 CV     1
 ASSI {  168}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      4.300     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.54431E-03 ppm1      7.539 ppm2      2.238 CV     1
 ASSI {  169}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      3.100     0.500     0.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.14860E-02 ppm1      7.566 ppm2      2.806 CV     1
 ASSI {  170}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.100     0.500     0.500 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14805E-02 ppm1      7.568 ppm2      2.619 CV     1
 ASSI {  171}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB  ))
      3.500     0.600     0.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.11687E-02 ppm1      7.478 ppm2      1.740 CV     1
 ASSI {  172}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.000     0.400     0.400 peak   172 spectrum    1 weight  0.10000E+01 volume  0.25907E-02 ppm1      7.478 ppm2      0.694 CV     1
 ASSI {  173}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     2.800     3.200 peak   173 spectrum    1 weight  0.10000E+01 volume  0.21447E-02 ppm1      7.478 ppm2      0.606 CV     1
 ASSI {  174}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.100     0.500     0.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.13451E-02 ppm1      7.096 ppm2      3.191 CV     1
 ASSI {  175}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.500     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.15835E-02 ppm1      7.096 ppm2      2.326 CV     1
 ASSI {  176}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.900     0.400     0.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.19900E-02 ppm1      7.891 ppm2      2.279 CV     1
 OR {  176}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  177}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.800     3.800     2.200 peak   177 spectrum    1 weight  0.10000E+01 volume  0.10468E-02 ppm1      7.891 ppm2      2.752 CV     1
 ASSI {  178}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.500     0.600     0.600 peak   178 spectrum    1 weight  0.10000E+01 volume  0.11373E-02 ppm1      7.892 ppm2      2.350 CV     1
 ASSI {  179}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.600     3.600     2.400 peak   179 spectrum    1 weight  0.10000E+01 volume  0.58908E-03 ppm1      7.482 ppm2      1.927 CV     1
 ASSI {  180}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.600     2.600     3.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.53608E-02 ppm1      7.482 ppm2      0.825 CV     1
 ASSI {  181}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HG  ))
      2.800     0.400     0.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.31569E-02 ppm1      5.414 ppm2      1.680 CV     1
 ASSI {  182}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.700     0.400     0.400 peak   182 spectrum    1 weight  0.10000E+01 volume  0.29479E-02 ppm1      5.413 ppm2      1.341 CV     1
 OR {  182}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  183}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD1%)
      3.500     0.600     0.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.22780E-02 ppm1      5.413 ppm2      0.838 CV     1
 ASSI {  184}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HD2%)
      2.200     0.200     0.200 peak   184 spectrum    1 weight  0.10000E+01 volume  0.84769E-02 ppm1      5.414 ppm2      0.775 CV     1
 ASSI {  185}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.200     3.200     2.800 peak   185 spectrum    1 weight  0.10000E+01 volume  0.10985E-02 ppm1      8.351 ppm2      1.343 CV     1
 OR {  185}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI {  186}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG  ))
      2.600     0.300     0.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.40078E-02 ppm1      8.352 ppm2      1.673 CV     1
 ASSI {  189}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.300     0.300 peak   189 spectrum    1 weight  0.10000E+01 volume  0.41692E-02 ppm1      5.113 ppm2      0.855 CV     1
 ASSI {  190}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
      3.200     0.500     0.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.23603E-02 ppm1      4.158 ppm2      2.357 CV     1
 OR {  190}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  191}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.400     0.300     0.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.57427E-02 ppm1      4.158 ppm2      2.254 CV     1
 ASSI {  192}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.400     0.300     0.300 peak   192 spectrum    1 weight  0.10000E+01 volume  0.52226E-02 ppm1      4.158 ppm2      1.794 CV     1
 ASSI {  193}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.700     0.400     0.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.32672E-02 ppm1      8.609 ppm2      2.049 CV     1
 OR {  193}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  194}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HG2 ))
      3.700     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.21364E-02 ppm1      7.477 ppm2      1.145 CV     1
 OR {  194}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  195}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HD2 ))
      4.000     4.000     2.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.30614E-03 ppm1      7.476 ppm2      1.633 CV     1
 OR {  195}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HD3 ))
 ASSI {  196}
   (  segid "    " and resid 27   and name HZ% )
   (( segid "    " and resid 27   and name HE3 ))
      3.300     3.300     2.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.10258E-02 ppm1      7.476 ppm2      2.981 CV     1
 ASSI {  197}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      3.800     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12683E-02 ppm1      9.350 ppm2      1.584 CV     1
 ASSI {  198}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.700     0.400     0.400 peak   198 spectrum    1 weight  0.10000E+01 volume  0.40490E-02 ppm1      4.264 ppm2      1.831 CV     1
 ASSI {  199}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.500     0.300     0.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.46086E-02 ppm1      4.261 ppm2      1.797 CV     1
 ASSI {  200}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.100     0.500     0.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.21117E-02 ppm1      4.260 ppm2      1.460 CV     1
 OR {  200}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI {  201}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HE2 ))
      3.100     3.100     2.900 peak   201 spectrum    1 weight  0.10000E+01 volume  0.12310E-02 ppm1      7.651 ppm2      2.620 CV     1
 ASSI {  202}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HE3 ))
      3.200     3.200     2.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.11508E-02 ppm1      7.650 ppm2      2.527 CV     1
 ASSI {  203}
   (( segid "    " and resid 47   and name HD21))
   (  segid "    " and resid 46   and name HG2%)
      4.000     0.800     0.800 peak   203 spectrum    1 weight  0.10000E+01 volume  0.69113E-03 ppm1      7.636 ppm2      0.962 CV     1
 ASSI {  204}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      2.400     0.300     0.300 peak   204 spectrum    1 weight  0.10000E+01 volume  0.46909E-02 ppm1      5.384 ppm2      2.106 CV     1
 ASSI {  205}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.500     0.300     0.300 peak   205 spectrum    1 weight  0.10000E+01 volume  0.50794E-02 ppm1      5.549 ppm2      1.928 CV     1
 ASSI {  206}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG1%)
      2.700     0.400     0.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.36968E-02 ppm1      5.549 ppm2      0.824 CV     1
 ASSI {  207}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HD1 ))
      2.300     0.300     0.300 peak   207 spectrum    1 weight  0.10000E+01 volume  0.11010E-01 ppm1      9.862 ppm2      7.046 CV     1
 ASSI {  208}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.300     0.500     0.500 peak   208 spectrum    1 weight  0.10000E+01 volume  0.11663E-02 ppm1      8.515 ppm2      2.809 CV     1
 ASSI {  209}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HD2 ))
      2.600     0.300     0.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.38959E-02 ppm1      7.220 ppm2      3.307 CV     1
 OR {  209}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HD3 ))
 ASSI {  210}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HB3 ))
      3.700     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12751E-02 ppm1      7.220 ppm2      1.893 CV     1
 OR {  210}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  211}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HG2 ))
      2.600     0.300     0.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.26237E-02 ppm1      7.221 ppm2      1.746 CV     1
 ASSI {  212}
   (( segid "    " and resid 49   and name HE  ))
   (( segid "    " and resid 49   and name HG3 ))
      3.600     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.13854E-02 ppm1      7.220 ppm2      1.677 CV     1
 ASSI {  213}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.400     0.400 peak   213 spectrum    1 weight  0.10000E+01 volume  0.41247E-02 ppm1      5.553 ppm2      3.000 CV     1
 ASSI {  214}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB3 ))
      2.800     0.400     0.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      5.550 ppm2      2.440 CV     1
 ASSI {  215}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.400     0.400 peak   215 spectrum    1 weight  0.10000E+01 volume  0.40326E-02 ppm1      5.567 ppm2      2.991 CV     1
 ASSI {  216}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.700     0.400     0.400 peak   216 spectrum    1 weight  0.10000E+01 volume  0.24936E-02 ppm1      5.568 ppm2      2.812 CV     1
 ASSI {  217}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
      2.800     0.400     0.400 peak   217 spectrum    1 weight  0.10000E+01 volume  0.20212E-02 ppm1      5.532 ppm2      2.240 CV     1
 ASSI {  218}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
      3.000     0.500     0.500 peak   218 spectrum    1 weight  0.10000E+01 volume  0.22203E-02 ppm1      5.528 ppm2      2.100 CV     1
 ASSI {  219}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.800     0.400     0.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.32228E-02 ppm1      5.528 ppm2      1.857 CV     1
 ASSI {  220}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      2.500     0.300     0.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.37643E-02 ppm1      5.529 ppm2      1.711 CV     1
 ASSI {  221}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.200     0.500     0.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.23504E-02 ppm1      5.478 ppm2      2.752 CV     1
 ASSI {  222}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG3 ))
      2.700     0.400     0.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.20970E-02 ppm1      5.479 ppm2      2.353 CV     1
 ASSI {  223}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.400     0.600     0.600 peak   223 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      5.414 ppm2      2.339 CV     1
 ASSI {  224}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.000     3.000     3.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15460E-02 ppm1      5.480 ppm2      2.287 CV     1
 OR {  224}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  225}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.900     0.400     0.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14886E-02 ppm1      5.415 ppm2      1.963 CV     1
 ASSI {  226}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
      2.900     0.400     0.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.34120E-02 ppm1      5.414 ppm2      1.857 CV     1
 ASSI {  229}
   (( segid "    " and resid 8    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.900     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.89128E-03 ppm1      8.352 ppm2      0.774 CV     1
 ASSI {  230}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      2.600     0.300     0.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.49971E-02 ppm1      9.090 ppm2      0.853 CV     1
 ASSI {  231}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.200     0.500     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.27372E-02 ppm1      9.015 ppm2      0.818 CV     1
 ASSI {  232}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      2.400     0.300     0.300 peak   232 spectrum    1 weight  0.10000E+01 volume  0.53872E-02 ppm1      9.372 ppm2      0.776 CV     1
 ASSI {  233}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.000     0.400     0.400 peak   233 spectrum    1 weight  0.10000E+01 volume  0.19455E-02 ppm1      9.372 ppm2      0.827 CV     1
 ASSI {  234}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.000     0.800     0.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.49049E-03 ppm1      9.371 ppm2      2.107 CV     1
 ASSI {  235}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.300     0.300     0.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.66644E-02 ppm1      8.412 ppm2      5.010 CV     1
 ASSI {  236}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.200     0.200 peak   236 spectrum    1 weight  0.10000E+01 volume  0.85458E-02 ppm1      8.916 ppm2      5.414 CV     1
 ASSI {  237}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.800     0.400     0.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.24771E-02 ppm1      8.606 ppm2      3.954 CV     1
 ASSI {  238}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB3 ))
      2.800     0.400     0.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26203E-02 ppm1      7.540 ppm2      1.810 CV     1
 ASSI {  239}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.200     0.500     0.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.20821E-02 ppm1      8.889 ppm2      4.137 CV     1
 ASSI {  240}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.100     0.200     0.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.91580E-02 ppm1      8.895 ppm2      3.309 CV     1
 ASSI {  241}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      4.700     1.100     1.100 peak   241 spectrum    1 weight  0.10000E+01 volume  0.29643E-03 ppm1      8.889 ppm2      2.167 CV     1
 OR {  241}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB3 ))
 ASSI {  242}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB3 ))
      2.400     0.300     0.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.75303E-02 ppm1      4.130 ppm2      2.172 CV     1
 OR {  242}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
 ASSI {  244}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.400     0.400 peak   244 spectrum    1 weight  0.10000E+01 volume  0.36326E-02 ppm1      8.625 ppm2      4.740 CV     1
 ASSI {  245}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.900     0.400     0.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.27322E-02 ppm1      8.228 ppm2      4.459 CV     1
 ASSI {  247}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      4.000     0.800     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.76666E-03 ppm1      8.433 ppm2      4.225 CV     1
 ASSI {  248}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.900     0.800     0.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.69590E-03 ppm1      8.433 ppm2      1.209 CV     1
 ASSI {  250}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.300     0.300 peak   250 spectrum    1 weight  0.10000E+01 volume  0.62595E-02 ppm1      8.671 ppm2      4.378 CV     1
 ASSI {  253}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.500     0.300     0.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.54908E-02 ppm1      3.984 ppm2      2.900 CV     1
 ASSI {  254}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB3 ))
      2.400     0.300     0.300 peak   254 spectrum    1 weight  0.10000E+01 volume  0.52966E-02 ppm1      3.984 ppm2      2.043 CV     1
 ASSI {  255}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB  ))
      2.500     0.300     0.300 peak   255 spectrum    1 weight  0.10000E+01 volume  0.36063E-02 ppm1      5.220 ppm2      2.023 CV     1
 ASSI {  256}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB3 ))
      2.900     2.900     3.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.21298E-02 ppm1      9.173 ppm2      1.335 CV     1
 OR {  256}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  257}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG1%)
      2.500     0.300     0.300 peak   257 spectrum    1 weight  0.10000E+01 volume  0.39025E-02 ppm1      5.221 ppm2      1.050 CV     1
 ASSI {  258}
   (( segid "    " and resid 9    and name HA  ))
   (  segid "    " and resid 9    and name HG2%)
      3.000     0.500     0.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.22631E-02 ppm1      5.220 ppm2      0.818 CV     1
 ASSI {  259}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     0.500     0.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.12939E-02 ppm1      9.090 ppm2      1.237 CV     1
 ASSI {  260}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.300     0.600     0.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.21249E-02 ppm1      9.241 ppm2      1.674 CV     1
 ASSI {  261}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.100     0.200     0.200 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10215E-01 ppm1      9.090 ppm2      5.111 CV     1
 ASSI {  262}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB3 ))
      3.800     0.700     0.700 peak   262 spectrum    1 weight  0.10000E+01 volume  0.82542E-03 ppm1      7.097 ppm2      0.449 CV     1
 ASSI {  263}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      4.600     1.000     1.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.44885E-03 ppm1      7.097 ppm2      0.609 CV     1
 ASSI {  264}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      4.400     1.000     1.000 peak   264 spectrum    1 weight  0.10000E+01 volume  0.56522E-03 ppm1      7.097 ppm2      1.327 CV     1
 ASSI {  265}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.400     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.11197E-02 ppm1      7.097 ppm2      3.825 CV     1
 ASSI {  266}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.300     0.300 peak   266 spectrum    1 weight  0.10000E+01 volume  0.67352E-02 ppm1      8.501 ppm2      4.745 CV     1
 ASSI {  267}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
      2.300     0.300     0.300 peak   267 spectrum    1 weight  0.10000E+01 volume  0.58826E-02 ppm1      6.677 ppm2      3.192 CV     1
 ASSI {  268}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB3 ))
      2.400     0.300     0.300 peak   268 spectrum    1 weight  0.10000E+01 volume  0.57229E-02 ppm1      6.678 ppm2      2.326 CV     1
 ASSI {  271}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.300     0.300     0.300 peak   271 spectrum    1 weight  0.10000E+01 volume  0.88519E-02 ppm1      7.540 ppm2      4.722 CV     1
 ASSI {  272}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      2.900     0.400     0.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.19241E-02 ppm1      7.240 ppm2      4.722 CV     1
 ASSI {  274}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.100     0.800     0.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.90151E-03 ppm1      8.608 ppm2      1.793 CV     1
 ASSI {  275}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      2.500     0.300     0.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.38186E-02 ppm1      8.088 ppm2      1.793 CV     1
 ASSI {  276}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.400     0.600     0.600 peak   276 spectrum    1 weight  0.10000E+01 volume  0.21809E-02 ppm1      8.088 ppm2      2.247 CV     1
 ASSI {  277}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.600     2.600     3.400 peak   277 spectrum    1 weight  0.10000E+01 volume  0.38860E-02 ppm1      8.087 ppm2      2.359 CV     1
 OR {  277}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  278}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.200     0.200     0.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.67006E-02 ppm1      8.610 ppm2      4.157 CV     1
 ASSI {  279}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     0.500     0.500 peak   279 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      7.765 ppm2      2.049 CV     1
 OR {  279}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI {  280}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      3.100     0.500     0.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.21595E-02 ppm1      7.765 ppm2      4.433 CV     1
 ASSI {  281}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.700     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      3.905 ppm2      2.479 CV     1
 ASSI {  282}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG3 ))
      3.100     3.100     2.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.95693E-03 ppm1      3.798 ppm2      2.478 CV     1
 ASSI {  283}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.500     0.300     0.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.33692E-02 ppm1      3.907 ppm2      2.119 CV     1
 ASSI {  284}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.900     0.400     0.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.34449E-02 ppm1      3.797 ppm2      2.120 CV     1
 ASSI {  285}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.400     0.300     0.300 peak   285 spectrum    1 weight  0.10000E+01 volume  0.55501E-02 ppm1      3.907 ppm2      1.997 CV     1
 ASSI {  286}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     0.500     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.13696E-02 ppm1      3.904 ppm2      7.573 CV     1
 ASSI {  287}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.600     0.700     0.700 peak   287 spectrum    1 weight  0.10000E+01 volume  0.12279E-02 ppm1      3.799 ppm2      7.574 CV     1
 ASSI {  288}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.300     0.300 peak   288 spectrum    1 weight  0.10000E+01 volume  0.59336E-02 ppm1      3.800 ppm2      4.895 CV     1
 ASSI {  289}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     0.700     0.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.81882E-03 ppm1      3.798 ppm2      4.533 CV     1
 ASSI {  290}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.700     0.400     0.400 peak   290 spectrum    1 weight  0.10000E+01 volume  0.52192E-02 ppm1      3.799 ppm2      4.193 CV     1
 ASSI {  291}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      2.400     0.300     0.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.52078E-02 ppm1      4.530 ppm2      2.479 CV     1
 ASSI {  292}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     0.400     0.400 peak   292 spectrum    1 weight  0.10000E+01 volume  0.43914E-02 ppm1      4.531 ppm2      1.996 CV     1
 ASSI {  293}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      4.500     1.000     1.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.43255E-03 ppm1      7.573 ppm2      2.479 CV     1
 ASSI {  294}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG2 ))
      4.200     0.900     0.900 peak   294 spectrum    1 weight  0.10000E+01 volume  0.55978E-03 ppm1      7.573 ppm2      2.119 CV     1
 ASSI {  295}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.000     0.500     0.500 peak   295 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      7.572 ppm2      1.998 CV     1
 ASSI {  296}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.400     0.600     0.600 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14285E-02 ppm1      7.891 ppm2      1.408 CV     1
 ASSI {  297}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.200     0.500     0.500 peak   297 spectrum    1 weight  0.10000E+01 volume  0.14402E-02 ppm1      7.891 ppm2      4.541 CV     1
 ASSI {  298}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.500     0.300     0.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.39568E-02 ppm1      7.478 ppm2      5.478 CV     1
 ASSI {  299}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.500     1.000     1.000 peak   299 spectrum    1 weight  0.10000E+01 volume  0.29067E-03 ppm1      7.482 ppm2      3.346 CV     1
 ASSI {  301}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      3.100     0.500     0.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.12025E-02 ppm1      7.478 ppm2      2.282 CV     1
 OR {  301}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  302}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      4.500     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.32260E-03 ppm1      7.478 ppm2      2.351 CV     1
 ASSI {  303}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.200     3.200     2.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      7.478 ppm2      2.748 CV     1
 ASSI {  304}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.200     0.200     0.200 peak   304 spectrum    1 weight  0.10000E+01 volume  0.10475E-01 ppm1      7.573 ppm2      4.579 CV     1
 ASSI {  306}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.600     0.600     0.600 peak   306 spectrum    1 weight  0.10000E+01 volume  0.12942E-02 ppm1      7.572 ppm2      0.605 CV     1
 ASSI {  307}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.500     0.600     0.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.19258E-02 ppm1      7.572 ppm2      1.348 CV     1
 ASSI {  308}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.600     0.300     0.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.46613E-02 ppm1      9.544 ppm2      1.349 CV     1
 ASSI {  309}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.200     0.900     0.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.48243E-03 ppm1      9.544 ppm2      4.001 CV     1
 ASSI {  310}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.200     0.200     0.200 peak   310 spectrum    1 weight  0.10000E+01 volume  0.92306E-02 ppm1      9.544 ppm2      5.036 CV     1
 ASSI {  311}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.200     0.200     0.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.10219E-01 ppm1      8.870 ppm2      4.913 CV     1
 ASSI {  312}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.800     0.400     0.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      8.241 ppm2      2.150 CV     1
 ASSI {  313}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB3 ))
      4.300     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.10208E-02 ppm1      8.241 ppm2      1.924 CV     1
 ASSI {  314}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      3.100     0.500     0.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.18582E-02 ppm1      8.870 ppm2      1.745 CV     1
 OR {  314}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  315}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD2 ))
      2.900     2.900     3.100 peak   315 spectrum    1 weight  0.10000E+01 volume  0.48127E-02 ppm1      8.869 ppm2      1.624 CV     1
 OR {  315}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HD3 ))
 ASSI {  316}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB3 ))
      2.500     0.300     0.300 peak   316 spectrum    1 weight  0.10000E+01 volume  0.45576E-02 ppm1      8.870 ppm2      1.542 CV     1
 OR {  316}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI {  317}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
      3.700     0.700     0.700 peak   317 spectrum    1 weight  0.10000E+01 volume  0.15019E-02 ppm1      8.870 ppm2      1.135 CV     1
 OR {  317}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  318}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG3 ))
      2.900     0.400     0.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.42597E-02 ppm1      3.310 ppm2      1.136 CV     1
 OR {  318}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  319}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.500     0.300     0.300 peak   319 spectrum    1 weight  0.10000E+01 volume  0.39404E-02 ppm1      3.308 ppm2      1.542 CV     1
 OR {  319}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB3 ))
 ASSI {  320}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD2 ))
      2.700     0.400     0.400 peak   320 spectrum    1 weight  0.10000E+01 volume  0.35618E-02 ppm1      3.308 ppm2      1.630 CV     1
 OR {  320}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HD3 ))
 ASSI {  321}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HG2 ))
      2.700     0.400     0.400 peak   321 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      3.307 ppm2      1.741 CV     1
 OR {  321}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HG2 ))
 ASSI {  322}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD3 ))
      2.400     0.300     0.300 peak   322 spectrum    1 weight  0.10000E+01 volume  0.57394E-02 ppm1      2.971 ppm2      1.629 CV     1
 OR {  322}
   (( segid "    " and resid 27   and name HE2 ))
   (( segid "    " and resid 27   and name HD2 ))
 ASSI {  323}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HG3 ))
      2.800     0.400     0.400 peak   323 spectrum    1 weight  0.10000E+01 volume  0.26006E-02 ppm1      2.971 ppm2      1.135 CV     1
 OR {  323}
   (( segid "    " and resid 27   and name HE3 ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  324}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
      3.200     0.500     0.500 peak   324 spectrum    1 weight  0.10000E+01 volume  0.18533E-02 ppm1      8.894 ppm2      1.134 CV     1
 OR {  324}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
 ASSI {  325}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      3.100     0.500     0.500 peak   325 spectrum    1 weight  0.10000E+01 volume  0.15261E-02 ppm1      8.429 ppm2      4.476 CV     1
 ASSI {  326}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      3.500     0.600     0.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.12463E-02 ppm1      8.429 ppm2      3.532 CV     1
 ASSI {  327}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      3.100     0.500     0.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.17496E-02 ppm1      8.217 ppm2      2.628 CV     1
 ASSI {  329}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.200     0.200 peak   329 spectrum    1 weight  0.10000E+01 volume  0.10141E-01 ppm1      8.217 ppm2      4.575 CV     1
 ASSI {  330}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB  ))
      4.400     1.000     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.43041E-03 ppm1      9.351 ppm2      1.809 CV     1
 ASSI {  331}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.400     0.600     0.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.26779E-02 ppm1      8.412 ppm2      1.628 CV     1
 ASSI {  332}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      3.000     0.500     0.500 peak   332 spectrum    1 weight  0.10000E+01 volume  0.11943E-02 ppm1      8.411 ppm2      1.470 CV     1
 ASSI {  333}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB3 ))
      3.300     0.500     0.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.29298E-02 ppm1      7.566 ppm2      1.140 CV     1
 ASSI {  334}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.000     0.800     0.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.90971E-03 ppm1      9.018 ppm2      0.384 CV     1
 ASSI {  335}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.100     1.300     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.29150E-03 ppm1      9.067 ppm2      0.384 CV     1
 ASSI {  336}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      4.000     0.800     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.96730E-03 ppm1      9.020 ppm2      0.699 CV     1
 ASSI {  337}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 35   and name HB3 ))
      3.500     0.600     0.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.14385E-02 ppm1      7.944 ppm2      2.618 CV     1
 ASSI {  338}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.300     0.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.33347E-02 ppm1      7.944 ppm2      2.804 CV     1
 ASSI {  341}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      2.300     0.300     0.300 peak   341 spectrum    1 weight  0.10000E+01 volume  0.72323E-02 ppm1      9.169 ppm2      4.725 CV     1
 ASSI {  342}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.600     1.000     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.52094E-03 ppm1      9.169 ppm2      2.804 CV     1
 ASSI {  343}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB3 ))
      3.200     0.500     0.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      9.170 ppm2      2.036 CV     1
 ASSI {  344}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     0.500     0.500 peak   344 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      8.717 ppm2      3.999 CV     1
 ASSI {  345}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.300     0.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.39338E-02 ppm1      8.204 ppm2      9.168 CV     1
 ASSI {  346}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HB3 ))
      2.700     0.400     0.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.43404E-02 ppm1      7.966 ppm2      2.806 CV     1
 ASSI {  347}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 38   and name HB3 ))
      3.500     0.600     0.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.21858E-02 ppm1      7.531 ppm2      2.808 CV     1
 ASSI {  348}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      4.100     0.800     0.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.66232E-03 ppm1      8.515 ppm2      3.898 CV     1
 ASSI {  349}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.200     0.200     0.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.12211E-01 ppm1      8.515 ppm2      4.829 CV     1
 ASSI {  350}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HA  ))
      3.600     0.700     0.700 peak   350 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      7.967 ppm2      4.829 CV     1
 ASSI {  353}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB2 ))
      3.600     0.600     0.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.67582E-03 ppm1      8.457 ppm2      1.831 CV     1
 ASSI {  354}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.900     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.65344E-03 ppm1      8.457 ppm2      1.797 CV     1
 ASSI {  355}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      3.700     0.700     0.700 peak   355 spectrum    1 weight  0.10000E+01 volume  0.81309E-03 ppm1      8.458 ppm2      1.457 CV     1
 OR {  355}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI {  356}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA  ))
      3.300     0.500     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11441E-02 ppm1      8.457 ppm2      4.262 CV     1
 ASSI {  357}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.300     0.300     0.300 peak   357 spectrum    1 weight  0.10000E+01 volume  0.55452E-02 ppm1      8.456 ppm2      8.316 CV     1
 ASSI {  358}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     0.700     0.700 peak   358 spectrum    1 weight  0.10000E+01 volume  0.80489E-03 ppm1      8.316 ppm2      4.550 CV     1
 ASSI {  359}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     0.500     0.500 peak   359 spectrum    1 weight  0.10000E+01 volume  0.13138E-02 ppm1      8.314 ppm2      2.886 CV     1
 ASSI {  360}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.100     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.67467E-03 ppm1      8.316 ppm2      1.982 CV     1
 ASSI {  361}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.400     0.400 peak   361 spectrum    1 weight  0.10000E+01 volume  0.26828E-02 ppm1      7.045 ppm2      3.023 CV     1
 ASSI {  362}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.900     2.900     3.100 peak   362 spectrum    1 weight  0.10000E+01 volume  0.54925E-02 ppm1      7.045 ppm2      2.758 CV     1
 ASSI {  363}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.800     0.700     0.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.65476E-03 ppm1      7.045 ppm2      5.209 CV     1
 ASSI {  364}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 41   and name HZ2 ))
      4.100     4.100     1.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.79764E-03 ppm1      7.044 ppm2      6.390 CV     1
 ASSI {  366}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 41   and name HZ2 ))
      2.500     0.300     0.300 peak   366 spectrum    1 weight  0.10000E+01 volume  0.63764E-02 ppm1      7.259 ppm2      6.389 CV     1
 ASSI {  369}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 41   and name HZ2 ))
      3.900     0.800     0.800 peak   369 spectrum    1 weight  0.10000E+01 volume  0.99364E-03 ppm1      6.574 ppm2      6.389 CV     1
 ASSI {  370}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HZ3 ))
      2.400     0.300     0.300 peak   370 spectrum    1 weight  0.10000E+01 volume  0.59287E-02 ppm1      6.939 ppm2      6.575 CV     1
 ASSI {  375}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.400     0.300     0.300 peak   375 spectrum    1 weight  0.10000E+01 volume  0.56110E-02 ppm1      9.572 ppm2      5.209 CV     1
 ASSI {  377}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.100     0.800     0.800 peak   377 spectrum    1 weight  0.10000E+01 volume  0.11699E-02 ppm1      8.866 ppm2      2.809 CV     1
 ASSI {  378}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB3 ))
      3.300     0.500     0.500 peak   378 spectrum    1 weight  0.10000E+01 volume  0.17628E-02 ppm1      7.670 ppm2      2.810 CV     1
 ASSI {  379}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HB2 ))
      3.300     0.500     0.500 peak   379 spectrum    1 weight  0.10000E+01 volume  0.14619E-02 ppm1      7.670 ppm2      2.992 CV     1
 ASSI {  380}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.100     0.200     0.200 peak   380 spectrum    1 weight  0.10000E+01 volume  0.11237E-01 ppm1      7.670 ppm2      5.569 CV     1
 ASSI {  382}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     0.500     0.500 peak   382 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      7.670 ppm2      9.571 CV     1
 ASSI {  384}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 42   and name HH2 ))
      2.100     2.100     3.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.17595E-01 ppm1      7.557 ppm2      7.224 CV     1
 ASSI {  385}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 42   and name HZ3 ))
      3.800     0.700     0.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.11940E-02 ppm1      7.558 ppm2      6.727 CV     1
 ASSI {  386}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 42   and name HZ3 ))
      2.200     0.200     0.200 peak   386 spectrum    1 weight  0.10000E+01 volume  0.11433E-01 ppm1      7.225 ppm2      6.727 CV     1
 ASSI {  387}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HZ3 ))
      2.100     2.100     3.900 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11616E-01 ppm1      7.116 ppm2      6.726 CV     1
 ASSI {  388}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.400     0.300     0.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.48489E-02 ppm1      8.865 ppm2      5.569 CV     1
 ASSI {  389}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     0.300     0.300 peak   389 spectrum    1 weight  0.10000E+01 volume  0.58463E-02 ppm1      9.373 ppm2      4.238 CV     1
 ASSI {  390}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      4.600     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.25512E-03 ppm1      9.168 ppm2      2.620 CV     1
 ASSI {  391}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HD2 ))
      5.100     1.300     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.27816E-03 ppm1      8.866 ppm2      1.310 CV     1
 OR {  391}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI {  392}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.600     0.700     0.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.86524E-03 ppm1      9.373 ppm2      0.135 CV     1
 ASSI {  393}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.400     0.300     0.300 peak   393 spectrum    1 weight  0.10000E+01 volume  0.46991E-02 ppm1      8.611 ppm2      2.105 CV     1
 ASSI {  394}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.000     0.500     0.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.28738E-02 ppm1      8.608 ppm2      0.776 CV     1
 ASSI {  395}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.600     0.600     0.600 peak   395 spectrum    1 weight  0.10000E+01 volume  0.17496E-02 ppm1      8.609 ppm2      0.828 CV     1
 ASSI {  396}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      3.900     0.700     0.700 peak   396 spectrum    1 weight  0.10000E+01 volume  0.89361E-03 ppm1      8.916 ppm2      1.862 CV     1
 ASSI {  397}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.500     1.000     1.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.51222E-03 ppm1      8.915 ppm2      1.959 CV     1
 ASSI {  398}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      3.200     0.500     0.500 peak   398 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      8.916 ppm2      2.235 CV     1
 ASSI {  399}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.200     0.500     0.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.12020E-02 ppm1      8.916 ppm2      2.337 CV     1
 ASSI {  401}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB  ))
      3.300     3.300     2.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.94525E-03 ppm1      9.456 ppm2      2.116 CV     1
 ASSI {  402}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      2.800     0.400     0.400 peak   402 spectrum    1 weight  0.10000E+01 volume  0.33824E-02 ppm1      9.456 ppm2      1.029 CV     1
 ASSI {  403}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.800     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      9.456 ppm2      0.962 CV     1
 ASSI {  404}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.100     0.500     0.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.21561E-02 ppm1      8.721 ppm2      2.874 CV     1
 ASSI {  406}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB3 ))
      2.700     0.400     0.400 peak   406 spectrum    1 weight  0.10000E+01 volume  0.23586E-02 ppm1      7.636 ppm2      2.873 CV     1
 ASSI {  407}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB2 ))
      3.500     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.93191E-03 ppm1      7.636 ppm2      3.053 CV     1
 ASSI {  408}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB3 ))
      3.800     0.700     0.700 peak   408 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      7.013 ppm2      2.873 CV     1
 ASSI {  409}
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB2 ))
      4.300     0.900     0.900 peak   409 spectrum    1 weight  0.10000E+01 volume  0.60669E-03 ppm1      7.013 ppm2      3.056 CV     1
 ASSI {  410}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     2.700     3.300 peak   410 spectrum    1 weight  0.10000E+01 volume  0.35009E-02 ppm1      8.721 ppm2      4.333 CV     1
 ASSI {  411}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.100     0.500     0.500 peak   411 spectrum    1 weight  0.10000E+01 volume  0.19538E-02 ppm1      8.185 ppm2      4.510 CV     1
 ASSI {  412}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      4.800     1.200     1.200 peak   412 spectrum    1 weight  0.10000E+01 volume  0.30648E-03 ppm1      8.185 ppm2      3.113 CV     1
 ASSI {  413}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
      4.400     1.000     1.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.31108E-03 ppm1      8.185 ppm2      3.000 CV     1
 ASSI {  414}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HB3 ))
      2.700     0.400     0.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.39864E-02 ppm1      3.306 ppm2      1.895 CV     1
 OR {  414}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR {  414}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR {  414}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI {  415}
   (( segid "    " and resid 49   and name HD2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     0.400     0.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.19883E-02 ppm1      3.307 ppm2      4.689 CV     1
 OR {  415}
   (( segid "    " and resid 49   and name HD3 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  416}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HD3 ))
      3.500     3.500     2.500 peak   416 spectrum    1 weight  0.10000E+01 volume  0.87170E-03 ppm1      7.650 ppm2      1.308 CV     1
 OR {  416}
   (  segid "    " and resid 43   and name HZ% )
   (( segid "    " and resid 43   and name HD2 ))
 ASSI {  417}
   (( segid "    " and resid 47   and name HD21))
   (  segid "    " and resid 46   and name HG1%)
      3.500     0.600     0.600 peak   417 spectrum    1 weight  0.10000E+01 volume  0.81048E-03 ppm1      7.636 ppm2      1.028 CV     1
 ASSI {  418}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.200     0.200 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10055E-01 ppm1      8.606 ppm2      5.528 CV     1
 ASSI {  419}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB3 ))
      3.100     0.500     0.500 peak   419 spectrum    1 weight  0.10000E+01 volume  0.18500E-02 ppm1      8.606 ppm2      1.710 CV     1
 ASSI {  420}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA1 ))
      2.600     0.300     0.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.27767E-02 ppm1      9.383 ppm2      3.911 CV     1
 ASSI {  421}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA2 ))
      2.800     0.400     0.400 peak   421 spectrum    1 weight  0.10000E+01 volume  0.28310E-02 ppm1      9.384 ppm2      3.953 CV     1
 ASSI {  422}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 52   and name HB3 ))
      2.400     0.300     0.300 peak   422 spectrum    1 weight  0.10000E+01 volume  0.47781E-02 ppm1      7.224 ppm2      2.439 CV     1
 ASSI {  423}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 52   and name HB2 ))
      2.300     0.300     0.300 peak   423 spectrum    1 weight  0.10000E+01 volume  0.75549E-02 ppm1      7.225 ppm2      3.007 CV     1
 ASSI {  424}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 52   and name HA  ))
      2.700     0.400     0.400 peak   424 spectrum    1 weight  0.10000E+01 volume  0.31026E-02 ppm1      7.225 ppm2      5.551 CV     1
 ASSI {  425}
   (  segid "    " and resid 52   and name HD% )
   (  segid "    " and resid 52   and name HE% )
      1.900     0.200     0.300 peak   425 spectrum    1 weight  0.10000E+01 volume  0.20870E-01 ppm1      7.224 ppm2      7.391 CV     1
 ASSI {  427}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HZ  ))
      1.800     0.200     0.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.32030E-01 ppm1      7.387 ppm2      7.349 CV     1
 ASSI {  428}
   (( segid "    " and resid 52   and name HZ  ))
   (  segid "    " and resid 52   and name HD% )
      3.000     3.000     3.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.39535E-02 ppm1      7.351 ppm2      7.227 CV     1
 ASSI {  429}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HB2 ))
      3.900     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.92944E-03 ppm1      7.392 ppm2      3.006 CV     1
 ASSI {  430}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HB3 ))
      4.100     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.69853E-03 ppm1      7.391 ppm2      2.439 CV     1
 ASSI {  431}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB3 ))
      3.400     0.600     0.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.66776E-03 ppm1      9.069 ppm2      2.439 CV     1
 ASSI {  433}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG2 ))
      3.000     0.400     0.400 peak   433 spectrum    1 weight  0.10000E+01 volume  0.22023E-02 ppm1      2.228 ppm2      0.290 CV     1
 ASSI {  434}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.600     0.300     0.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.22599E-02 ppm1      2.076 ppm2      0.289 CV     1
 ASSI {  435}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.700     0.400     0.400 peak   435 spectrum    1 weight  0.10000E+01 volume  0.19324E-02 ppm1      2.228 ppm2      0.602 CV     1
 ASSI {  436}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HG3 ))
      3.500     0.600     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.13489E-02 ppm1      2.075 ppm2      0.601 CV     1
 ASSI {  437}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HB3 ))
      4.000     0.800     0.800 peak   437 spectrum    1 weight  0.10000E+01 volume  0.92356E-03 ppm1      2.229 ppm2      1.347 CV     1
 ASSI {  438}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB3 ))
      4.300     0.900     0.900 peak   438 spectrum    1 weight  0.10000E+01 volume  0.54925E-03 ppm1      2.078 ppm2      1.350 CV     1
 ASSI {  439}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 53   and name HG1%)
      3.500     0.600     0.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.21759E-02 ppm1      2.229 ppm2      1.146 CV     1
 ASSI {  440}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 53   and name HG2%)
      3.600     0.600     0.600 peak   440 spectrum    1 weight  0.10000E+01 volume  0.20805E-02 ppm1      2.229 ppm2      0.692 CV     1
 ASSI {  441}
   (( segid "    " and resid 54   and name HD2 ))
   (  segid "    " and resid 53   and name HG2%)
      3.300     0.500     0.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.20146E-02 ppm1      2.079 ppm2      0.688 CV     1
 ASSI {  442}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      2.300     0.300     0.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.88686E-02 ppm1      7.735 ppm2     -0.041 CV     1
 ASSI {  443}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      4.100     0.800     0.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.51616E-03 ppm1      7.735 ppm2      1.193 CV     1
 ASSI {  444}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.500     0.600     0.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.14097E-02 ppm1      7.735 ppm2      1.347 CV     1
 ASSI {  445}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.200     0.200 peak   445 spectrum    1 weight  0.10000E+01 volume  0.10121E-01 ppm1      7.735 ppm2      3.879 CV     1
 ASSI {  447}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      2.700     0.400     0.400 peak   447 spectrum    1 weight  0.10000E+01 volume  0.43338E-02 ppm1      8.207 ppm2     -0.041 CV     1
 ASSI {  448}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.300     0.500     0.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.11342E-02 ppm1      7.923 ppm2      4.118 CV     1
 ASSI {  449}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      2.600     0.300     0.300 peak   449 spectrum    1 weight  0.10000E+01 volume  0.50810E-02 ppm1      6.992 ppm2      3.351 CV     1
 ASSI {  451}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 57   and name HD% )
      1.800     0.200     0.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.28870E-01 ppm1      6.897 ppm2      6.994 CV     1
 ASSI {  452}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.300     0.300 peak   452 spectrum    1 weight  0.10000E+01 volume  0.46662E-02 ppm1      7.482 ppm2      7.924 CV     1
 ASSI {  453}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.300     0.600     0.600 peak   453 spectrum    1 weight  0.10000E+01 volume  0.22961E-02 ppm1      7.482 ppm2      0.776 CV     1
 ASSI {  455}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      3.200     3.200     2.800 peak   455 spectrum    1 weight  0.10000E+01 volume  0.32211E-02 ppm1      8.659 ppm2      1.929 CV     1
 ASSI {  457}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      4.800     1.100     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.20146E-03 ppm1      8.658 ppm2      1.458 CV     1
 ASSI {  458}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG2 ))
      3.100     0.500     0.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.11188E-02 ppm1      9.247 ppm2      1.460 CV     1
 ASSI {  459}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG3 ))
      3.700     0.700     0.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      2.959 ppm2      1.384 CV     1
 OR {  459}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG3 ))
 ASSI {  460}
   (( segid "    " and resid 59   and name HE3 ))
   (( segid "    " and resid 59   and name HG2 ))
      2.900     2.900     3.100 peak   460 spectrum    1 weight  0.10000E+01 volume  0.15169E-02 ppm1      2.957 ppm2      1.461 CV     1
 OR {  460}
   (( segid "    " and resid 59   and name HE2 ))
   (( segid "    " and resid 59   and name HG2 ))
 ASSI {  461}
   (  segid "    " and resid 59   and name HZ% )
   (( segid "    " and resid 59   and name HE2 ))
      3.400     3.400     2.600 peak   461 spectrum    1 weight  0.10000E+01 volume  0.73837E-03 ppm1      7.593 ppm2      2.957 CV     1
 OR {  461}
   (  segid "    " and resid 59   and name HZ% )
   (( segid "    " and resid 59   and name HE3 ))
 ASSI {  462}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      3.200     0.500     0.500 peak   462 spectrum    1 weight  0.10000E+01 volume  0.35783E-02 ppm1      9.246 ppm2      1.756 CV     1
 OR {  462}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB3 ))
 ASSI {  463}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.100     0.200     0.200 peak   463 spectrum    1 weight  0.10000E+01 volume  0.12932E-01 ppm1      9.247 ppm2      4.847 CV     1
 ASSI {  464}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.200     0.200     0.200 peak   464 spectrum    1 weight  0.10000E+01 volume  0.81127E-02 ppm1      9.240 ppm2      4.586 CV     1
 ASSI {  465}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.900     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.91297E-03 ppm1      8.505 ppm2      2.058 CV     1
 ASSI {  466}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
      4.100     0.900     0.900 peak   466 spectrum    1 weight  0.10000E+01 volume  0.63039E-03 ppm1      8.507 ppm2      1.388 CV     1
 OR {  466}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  467}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HG3 ))
      3.400     3.400     2.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.10118E-02 ppm1      2.725 ppm2      1.391 CV     1
 OR {  467}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  468}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HD2 ))
      3.200     0.500     0.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.16558E-02 ppm1      2.726 ppm2      1.755 CV     1
 ASSI {  469}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HD3 ))
      3.000     0.500     0.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.12123E-02 ppm1      2.725 ppm2      1.686 CV     1
 ASSI {  470}
   (( segid "    " and resid 60   and name HE3 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.200     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.58365E-03 ppm1      2.724 ppm2      2.048 CV     1
 ASSI {  471}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG3 ))
      3.900     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.60109E-03 ppm1      2.847 ppm2      1.395 CV     1
 OR {  471}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI {  472}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD3 ))
      3.300     3.300     2.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.11813E-02 ppm1      2.849 ppm2      1.684 CV     1
 ASSI {  473}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HE3 ))
      1.900     0.200     0.300 peak   473 spectrum    1 weight  0.10000E+01 volume  0.12091E-01 ppm1      2.847 ppm2      2.732 CV     1
 ASSI {  476}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     2.700     3.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      8.080 ppm2      4.459 CV     1
 ASSI {  477}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 60   and name HB2 ))
      3.800     0.700     0.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.12451E-02 ppm1      8.080 ppm2      2.058 CV     1
 ASSI {  478}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.000     0.500     0.500 peak   478 spectrum    1 weight  0.10000E+01 volume  0.18813E-02 ppm1      8.080 ppm2      1.557 CV     1
 OR {  478}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  479}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 61   and name HD1%)
      4.000     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.19290E-03 ppm1      8.079 ppm2      0.879 CV     1
 ASSI {  480}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HH2 ))
      4.500     1.000     1.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.45658E-03 ppm1      9.863 ppm2      7.261 CV     1
 ASSI {  481}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 41   and name HZ2 ))
      2.800     0.400     0.400 peak   481 spectrum    1 weight  0.10000E+01 volume  0.36095E-02 ppm1      9.862 ppm2      6.390 CV     1
 ASSI {  482}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      3.600     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.80699E-03 ppm1      9.571 ppm2      7.736 CV     1
 ASSI {  483}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.100     0.500     0.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      9.571 ppm2      9.070 CV     1
 ASSI {  485}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     0.400     0.400 peak   485 spectrum    1 weight  0.10000E+01 volume  0.19159E-02 ppm1      9.545 ppm2      8.621 CV     1
 ASSI {  486}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.600     1.000     1.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.35635E-03 ppm1      9.544 ppm2      7.575 CV     1
 ASSI {  488}
   (( segid "    " and resid 25   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      4.000     0.800     0.800 peak   488 spectrum    1 weight  0.10000E+01 volume  0.34631E-03 ppm1      9.544 ppm2      7.235 CV     1
 ASSI {  489}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.100     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.46925E-03 ppm1      9.456 ppm2      8.916 CV     1
 ASSI {  491}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      4.000     0.800     0.800 peak   491 spectrum    1 weight  0.10000E+01 volume  0.86299E-03 ppm1      9.387 ppm2      7.479 CV     1
 ASSI {  492}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HE% )
      4.500     1.000     1.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.43321E-03 ppm1      9.382 ppm2      7.390 CV     1
 ASSI {  493}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD% )
      2.600     0.300     0.300 peak   493 spectrum    1 weight  0.10000E+01 volume  0.31092E-02 ppm1      9.384 ppm2      7.225 CV     1
 ASSI {  494}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      3.900     0.800     0.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.86611E-03 ppm1      9.379 ppm2      9.071 CV     1
 ASSI {  495}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     0.400     0.400 peak   495 spectrum    1 weight  0.10000E+01 volume  0.21381E-02 ppm1      9.373 ppm2      8.607 CV     1
 ASSI {  497}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     0.400     0.400 peak   497 spectrum    1 weight  0.10000E+01 volume  0.17002E-02 ppm1      9.350 ppm2      9.175 CV     1
 ASSI {  498}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.50069E-03 ppm1      9.353 ppm2      9.089 CV     1
 ASSI {  500}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     3.400     2.600 peak   500 spectrum    1 weight  0.10000E+01 volume  0.49609E-03 ppm1      9.309 ppm2      9.174 CV     1
 ASSI {  501}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HD1 ))
      2.300     0.300     0.300 peak   501 spectrum    1 weight  0.10000E+01 volume  0.93604E-02 ppm1      9.307 ppm2      7.670 CV     1
 ASSI {  502}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HZ2 ))
      2.600     0.300     0.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.51501E-02 ppm1      9.307 ppm2      7.557 CV     1
 ASSI {  503}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HH2 ))
      4.300     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.54283E-03 ppm1      9.307 ppm2      7.225 CV     1
 ASSI {  504}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.100     0.800     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.39486E-03 ppm1      9.246 ppm2      9.014 CV     1
 ASSI {  505}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.300     0.900     0.900 peak   505 spectrum    1 weight  0.10000E+01 volume  0.54645E-03 ppm1      9.246 ppm2      8.507 CV     1
 ASSI {  507}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.800     0.700     0.700 peak   507 spectrum    1 weight  0.10000E+01 volume  0.10501E-02 ppm1      9.244 ppm2      8.659 CV     1
 ASSI {  508}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.900     0.800     0.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.73939E-03 ppm1      9.240 ppm2      9.090 CV     1
 ASSI {  509}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.300     0.300 peak   509 spectrum    1 weight  0.10000E+01 volume  0.43107E-02 ppm1      9.239 ppm2      7.097 CV     1
 ASSI {  511}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     0.700     0.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.10088E-02 ppm1      9.176 ppm2      9.014 CV     1
 ASSI {  512}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.400     1.000     1.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.37857E-03 ppm1      9.176 ppm2      8.353 CV     1
 ASSI {  516}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.500     0.600     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.74592E-03 ppm1      9.090 ppm2      8.896 CV     1
 ASSI {  517}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      3.400     0.600     0.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.81490E-03 ppm1      9.090 ppm2      8.429 CV     1
 ASSI {  519}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.100     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.51946E-03 ppm1      9.067 ppm2      8.879 CV     1
 ASSI {  520}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HD% )
      3.500     0.600     0.600 peak   520 spectrum    1 weight  0.10000E+01 volume  0.97521E-03 ppm1      9.071 ppm2      7.226 CV     1
 ASSI {  521}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.300     0.900     0.900 peak   521 spectrum    1 weight  0.10000E+01 volume  0.56406E-03 ppm1      9.068 ppm2      8.613 CV     1
 ASSI {  524}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.900     0.700     0.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.80504E-03 ppm1      9.070 ppm2      9.376 CV     1
 ASSI {  527}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      4.300     0.900     0.900 peak   527 spectrum    1 weight  0.10000E+01 volume  0.39898E-03 ppm1      9.017 ppm2      8.414 CV     1
 ASSI {  528}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.400     0.400 peak   528 spectrum    1 weight  0.10000E+01 volume  0.25595E-02 ppm1      9.012 ppm2      8.659 CV     1
 ASSI {  529}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      4.100     0.900     0.900 peak   529 spectrum    1 weight  0.10000E+01 volume  0.64537E-03 ppm1      9.009 ppm2      8.506 CV     1
 ASSI {  530}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     0.900     0.900 peak   530 spectrum    1 weight  0.10000E+01 volume  0.52620E-03 ppm1      8.916 ppm2      8.721 CV     1
 ASSI {  531}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      3.800     0.700     0.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.81389E-03 ppm1      8.916 ppm2      8.611 CV     1
 ASSI {  532}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.800     0.400     0.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.19406E-02 ppm1      8.916 ppm2      8.186 CV     1
 ASSI {  536}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.000     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.53114E-03 ppm1      8.886 ppm2      8.622 CV     1
 ASSI {  537}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      4.500     1.000     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.37149E-03 ppm1      8.870 ppm2      9.373 CV     1
 ASSI {  539}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.600     3.600     2.400 peak   539 spectrum    1 weight  0.10000E+01 volume  0.36523E-03 ppm1      8.864 ppm2      8.721 CV     1
 ASSI {  540}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      4.300     0.900     0.900 peak   540 spectrum    1 weight  0.10000E+01 volume  0.92451E-03 ppm1      8.870 ppm2      8.620 CV     1
 ASSI {  541}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.400     0.600     0.600 peak   541 spectrum    1 weight  0.10000E+01 volume  0.98276E-03 ppm1      8.869 ppm2      8.502 CV     1
 ASSI {  542}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      4.200     0.900     0.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.45971E-03 ppm1      8.869 ppm2      8.240 CV     1
 ASSI {  543}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     0.500     0.500 peak   543 spectrum    1 weight  0.10000E+01 volume  0.15128E-02 ppm1      8.864 ppm2      7.567 CV     1
 ASSI {  547}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     0.400     0.400 peak   547 spectrum    1 weight  0.10000E+01 volume  0.18352E-02 ppm1      8.721 ppm2      9.457 CV     1
 ASSI {  549}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     2.400     3.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.43321E-02 ppm1      8.720 ppm2      8.195 CV     1
 ASSI {  551}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.000     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.66282E-03 ppm1      8.715 ppm2      8.515 CV     1
 ASSI {  552}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      4.900     1.200     1.100 peak   552 spectrum    1 weight  0.10000E+01 volume  0.41181E-03 ppm1      8.715 ppm2      7.967 CV     1
 ASSI {  553}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.400     1.000     1.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.54168E-03 ppm1      8.670 ppm2      8.354 CV     1
 ASSI {  554}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.600     0.600     0.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.10689E-02 ppm1      8.672 ppm2      8.026 CV     1
 ASSI {  557}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.300     0.900     0.900 peak   557 spectrum    1 weight  0.10000E+01 volume  0.42465E-03 ppm1      8.621 ppm2      7.539 CV     1
 ASSI {  559}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     0.600     0.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.10530E-02 ppm1      8.628 ppm2      8.228 CV     1
 ASSI {  561}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      3.700     0.700     0.700 peak   561 spectrum    1 weight  0.10000E+01 volume  0.13534E-02 ppm1      8.616 ppm2      8.509 CV     1
 ASSI {  565}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      4.600     1.100     1.100 peak   565 spectrum    1 weight  0.10000E+01 volume  0.35108E-03 ppm1      8.615 ppm2      7.235 CV     1
 ASSI {  568}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      3.000     0.400     0.400 peak   568 spectrum    1 weight  0.10000E+01 volume  0.16455E-02 ppm1      8.612 ppm2      8.414 CV     1
 ASSI {  570}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.100     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.49559E-03 ppm1      8.554 ppm2      8.188 CV     1
 ASSI {  572}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.200     0.900     0.900 peak   572 spectrum    1 weight  0.10000E+01 volume  0.93916E-03 ppm1      8.514 ppm2      8.323 CV     1
 ASSI {  573}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      4.300     0.900     0.900 peak   573 spectrum    1 weight  0.10000E+01 volume  0.42317E-03 ppm1      8.514 ppm2      7.967 CV     1
 ASSI {  575}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.100     0.800     0.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.56126E-03 ppm1      8.501 ppm2      7.104 CV     1
 ASSI {  578}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.300     0.300 peak   578 spectrum    1 weight  0.10000E+01 volume  0.42350E-02 ppm1      8.453 ppm2      8.511 CV     1
 ASSI {  580}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     0.400     0.400 peak   580 spectrum    1 weight  0.10000E+01 volume  0.24129E-02 ppm1      8.432 ppm2      8.227 CV     1
 ASSI {  581}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.100     0.500     0.500 peak   581 spectrum    1 weight  0.10000E+01 volume  0.18665E-02 ppm1      8.433 ppm2      8.024 CV     1
 ASSI {  583}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.300     0.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.34482E-02 ppm1      8.429 ppm2      8.896 CV     1
 ASSI {  589}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.900     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.41033E-03 ppm1      8.355 ppm2      8.080 CV     1
 ASSI {  591}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HD21))
      4.200     0.900     0.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.33610E-03 ppm1      8.320 ppm2      7.972 CV     1
 ASSI {  593}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HD1 ))
      3.300     0.600     0.600 peak   593 spectrum    1 weight  0.10000E+01 volume  0.10708E-02 ppm1      8.315 ppm2      7.045 CV     1
 ASSI {  594}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.500     1.000     1.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.25347E-03 ppm1      8.314 ppm2      9.572 CV     1
 ASSI {  599}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     0.900     0.900 peak   599 spectrum    1 weight  0.10000E+01 volume  0.43404E-03 ppm1      8.214 ppm2      9.348 CV     1
 ASSI {  600}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.400     0.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.27224E-02 ppm1      8.207 ppm2      7.923 CV     1
 ASSI {  601}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     0.400     0.400 peak   601 spectrum    1 weight  0.10000E+01 volume  0.23767E-02 ppm1      8.207 ppm2      7.735 CV     1
 ASSI {  602}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 42   and name HD1 ))
      4.500     1.000     1.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.36161E-03 ppm1      8.206 ppm2      7.668 CV     1
 ASSI {  603}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.500     1.000     1.000 peak   603 spectrum    1 weight  0.10000E+01 volume  0.45181E-03 ppm1      8.208 ppm2      7.484 CV     1
 ASSI {  604}
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.600     0.600     0.600 peak   604 spectrum    1 weight  0.10000E+01 volume  0.73786E-03 ppm1      8.207 ppm2      6.992 CV     1
 ASSI {  605}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.300     0.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      8.204 ppm2      8.716 CV     1
 ASSI {  606}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HD22))
      3.900     0.800     0.800 peak   606 spectrum    1 weight  0.10000E+01 volume  0.40506E-03 ppm1      8.205 ppm2      7.207 CV     1
 ASSI {  611}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     1.000     1.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.64192E-03 ppm1      8.087 ppm2      9.543 CV     1
 ASSI {  612}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.300     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.52456E-03 ppm1      8.087 ppm2      8.609 CV     1
 ASSI {  613}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      3.700     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.68208E-03 ppm1      8.087 ppm2      7.574 CV     1
 ASSI {  614}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     0.800     0.800 peak   614 spectrum    1 weight  0.10000E+01 volume  0.65558E-03 ppm1      8.087 ppm2      7.537 CV     1
 ASSI {  615}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.300     0.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.35783E-02 ppm1      8.080 ppm2      8.506 CV     1
 ASSI {  620}
   (( segid "    " and resid 38   and name HD21))
   (( segid "    " and resid 38   and name HD22))
      1.800     0.200     0.400 peak   620 spectrum    1 weight  0.10000E+01 volume  0.20508E-01 ppm1      7.965 ppm2      7.530 CV     1
 ASSI {  624}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 57   and name HE% )
      4.500     1.000     1.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.46152E-03 ppm1      7.924 ppm2      6.898 CV     1
 ASSI {  628}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.500     0.600     0.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.93009E-03 ppm1      7.891 ppm2      7.765 CV     1
 ASSI {  630}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.300     0.300 peak   630 spectrum    1 weight  0.10000E+01 volume  0.53230E-02 ppm1      7.765 ppm2      8.610 CV     1
 ASSI {  632}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     0.600     0.600 peak   632 spectrum    1 weight  0.10000E+01 volume  0.79321E-03 ppm1      7.763 ppm2      7.573 CV     1
 ASSI {  635}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.100     0.800     0.800 peak   635 spectrum    1 weight  0.10000E+01 volume  0.45527E-03 ppm1      7.736 ppm2      7.921 CV     1
 ASSI {  637}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.18089E-02 ppm1      7.670 ppm2      8.865 CV     1
 ASSI {  638}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     0.500     0.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.13118E-02 ppm1      7.670 ppm2      8.718 CV     1
 ASSI {  639}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.400     1.000     1.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.37989E-03 ppm1      7.670 ppm2      8.459 CV     1
 ASSI {  640}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.200     0.500     0.500 peak   640 spectrum    1 weight  0.10000E+01 volume  0.12119E-02 ppm1      7.670 ppm2      8.314 CV     1
 ASSI {  643}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HD22))
      1.600     0.100     0.600 peak   643 spectrum    1 weight  0.10000E+01 volume  0.43798E-01 ppm1      7.636 ppm2      7.013 CV     1
 ASSI {  646}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.300     0.300 peak   646 spectrum    1 weight  0.10000E+01 volume  0.45428E-02 ppm1      7.573 ppm2      7.893 CV     1
 ASSI {  649}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      4.000     0.800     0.800 peak   649 spectrum    1 weight  0.10000E+01 volume  0.52242E-03 ppm1      7.566 ppm2      9.169 CV     1
 ASSI {  650}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.300     0.300 peak   650 spectrum    1 weight  0.10000E+01 volume  0.51518E-02 ppm1      7.566 ppm2      9.067 CV     1
 ASSI {  651}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 42   and name HE3 ))
      4.100     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.42268E-03 ppm1      7.558 ppm2      7.115 CV     1
 ASSI {  657}
   (( segid "    " and resid 16   and name HE21))
   (( segid "    " and resid 16   and name HE22))
      1.600     0.100     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.48209E-01 ppm1      7.512 ppm2      6.842 CV     1
 ASSI {  660}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 42   and name HE3 ))
      4.300     4.300     1.700 peak   660 spectrum    1 weight  0.10000E+01 volume  0.51616E-03 ppm1      7.477 ppm2      7.114 CV     1
 ASSI {  661}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     0.900     0.900 peak   661 spectrum    1 weight  0.10000E+01 volume  0.36803E-03 ppm1      7.482 ppm2      8.658 CV     1
 ASSI {  662}
   (( segid "    " and resid 58   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.300     3.300     2.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.56719E-03 ppm1      7.482 ppm2      6.992 CV     1
 ASSI {  663}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      3.300     3.300     2.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.96767E-03 ppm1      7.477 ppm2      7.237 CV     1
 ASSI {  664}
   (  segid "    " and resid 52   and name HE% )
   (  segid "    " and resid 43   and name HZ% )
      3.900     0.700     0.700 peak   664 spectrum    1 weight  0.10000E+01 volume  0.43749E-03 ppm1      7.390 ppm2      7.653 CV     1
 ASSI {  666}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HN  ))
      3.500     0.600     0.600 peak   666 spectrum    1 weight  0.10000E+01 volume  0.67747E-03 ppm1      7.390 ppm2      8.866 CV     1
 ASSI {  667}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 38   and name HD21))
      3.500     0.600     0.600 peak   667 spectrum    1 weight  0.10000E+01 volume  0.44556E-03 ppm1      7.390 ppm2      7.978 CV     1
 ASSI {  672}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 41   and name HZ3 ))
      2.400     0.300     0.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.71467E-02 ppm1      7.261 ppm2      6.574 CV     1
 ASSI {  673}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 15   and name HE% )
      2.400     0.300     0.300 peak   673 spectrum    1 weight  0.10000E+01 volume  0.50760E-02 ppm1      7.240 ppm2      6.894 CV     1
 ASSI {  674}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 57   and name HD% )
      3.400     0.600     0.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.13761E-02 ppm1      7.238 ppm2      6.991 CV     1
 ASSI {  677}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HN  ))
      3.500     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.58052E-03 ppm1      7.225 ppm2      8.866 CV     1
 ASSI {  679}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HD1 ))
      3.100     3.100     2.900 peak   679 spectrum    1 weight  0.10000E+01 volume  0.78015E-03 ppm1      7.227 ppm2      7.044 CV     1
 ASSI {  680}
   (( segid "    " and resid 42   and name HH2 ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.46794E-03 ppm1      7.223 ppm2      9.245 CV     1
 ASSI {  682}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 42   and name HN  ))
      3.300     0.500     0.500 peak   682 spectrum    1 weight  0.10000E+01 volume  0.10320E-02 ppm1      7.225 ppm2      9.569 CV     1
 ASSI {  685}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HZ3 ))
      4.300     4.300     1.700 peak   685 spectrum    1 weight  0.10000E+01 volume  0.53690E-03 ppm1      7.224 ppm2      6.575 CV     1
 ASSI {  688}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HE22))
      1.600     0.100     0.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.40342E-01 ppm1      7.186 ppm2      6.699 CV     1
 ASSI {  692}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 57   and name HD% )
      3.100     0.500     0.500 peak   692 spectrum    1 weight  0.10000E+01 volume  0.13818E-02 ppm1      7.092 ppm2      6.995 CV     1
 ASSI {  693}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      3.000     0.400     0.400 peak   693 spectrum    1 weight  0.10000E+01 volume  0.17068E-02 ppm1      7.095 ppm2      6.679 CV     1
 ASSI {  695}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 57   and name HE% )
      3.800     3.800     2.200 peak   695 spectrum    1 weight  0.10000E+01 volume  0.89556E-03 ppm1      7.094 ppm2      6.902 CV     1
 ASSI {  696}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     0.600     0.600 peak   696 spectrum    1 weight  0.10000E+01 volume  0.14448E-02 ppm1      7.044 ppm2      8.457 CV     1
 ASSI {  697}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 38   and name HD21))
      3.800     0.700     0.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.91334E-03 ppm1      7.044 ppm2      7.967 CV     1
 ASSI {  698}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 38   and name HD22))
      2.900     0.400     0.400 peak   698 spectrum    1 weight  0.10000E+01 volume  0.19801E-02 ppm1      7.044 ppm2      7.530 CV     1
 ASSI {  701}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.300     0.300 peak   701 spectrum    1 weight  0.10000E+01 volume  0.37511E-02 ppm1      6.993 ppm2      7.923 CV     1
 ASSI {  702}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 13   and name HD% )
      2.700     0.400     0.400 peak   702 spectrum    1 weight  0.10000E+01 volume  0.27108E-02 ppm1      6.991 ppm2      6.678 CV     1
 ASSI {  709}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     0.600     0.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.96701E-03 ppm1      6.940 ppm2      9.572 CV     1
 ASSI {  710}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 55   and name HN  ))
      4.200     0.900     0.900 peak   710 spectrum    1 weight  0.10000E+01 volume  0.50185E-03 ppm1      6.939 ppm2      7.736 CV     1
 ASSI {  711}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 52   and name HD% )
      3.400     0.600     0.600 peak   711 spectrum    1 weight  0.10000E+01 volume  0.17529E-02 ppm1      6.940 ppm2      7.230 CV     1
 ASSI {  712}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     0.500     0.500 peak   712 spectrum    1 weight  0.10000E+01 volume  0.13255E-02 ppm1      6.939 ppm2      9.071 CV     1
 ASSI {  713}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HH2 ))
      3.600     0.700     0.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      6.940 ppm2      7.251 CV     1
 ASSI {  717}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      3.100     0.500     0.500 peak   717 spectrum    1 weight  0.10000E+01 volume  0.17134E-02 ppm1      6.897 ppm2      6.680 CV     1
 ASSI {  718}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 23   and name HN  ))
      3.300     0.500     0.500 peak   718 spectrum    1 weight  0.10000E+01 volume  0.10251E-02 ppm1      6.894 ppm2      7.479 CV     1
 ASSI {  719}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 18   and name HN  ))
      3.800     0.700     0.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.69639E-03 ppm1      6.892 ppm2      8.614 CV     1
 ASSI {  720}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      3.300     0.500     0.500 peak   720 spectrum    1 weight  0.10000E+01 volume  0.12045E-02 ppm1      6.893 ppm2      7.536 CV     1
 ASSI {  722}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 41   and name HZ3 ))
      3.300     0.500     0.500 peak   722 spectrum    1 weight  0.10000E+01 volume  0.10237E-02 ppm1      6.892 ppm2      6.584 CV     1
 ASSI {  724}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.400     0.600     0.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.84123E-03 ppm1      6.729 ppm2      9.246 CV     1
 ASSI {  729}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
      3.900     0.800     0.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.64916E-03 ppm1      6.678 ppm2      9.242 CV     1
 ASSI {  730}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      4.100     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.93916E-03 ppm1      6.677 ppm2      8.503 CV     1
 ASSI {  734}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      4.400     1.000     1.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.47798E-03 ppm1      6.600 ppm2      9.240 CV     1
 ASSI {  735}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HN  ))
      4.000     0.800     0.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.63418E-03 ppm1      6.596 ppm2      7.096 CV     1
 ASSI {  736}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 57   and name HD% )
      3.300     0.500     0.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.14856E-02 ppm1      6.598 ppm2      6.992 CV     1
 ASSI {  737}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      1.700     0.100     0.500 peak   737 spectrum    1 weight  0.10000E+01 volume  0.39008E-01 ppm1      6.598 ppm2      6.677 CV     1
 ASSI {  745}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     0.400     0.400 peak   745 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      5.561 ppm2      9.572 CV     1
 ASSI {  746}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.200     0.200 peak   746 spectrum    1 weight  0.10000E+01 volume  0.75237E-02 ppm1      5.550 ppm2      8.660 CV     1
 ASSI {  748}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.300     0.300 peak   748 spectrum    1 weight  0.10000E+01 volume  0.32260E-02 ppm1      5.550 ppm2      9.379 CV     1
 ASSI {  749}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.200     0.200     0.200 peak   749 spectrum    1 weight  0.10000E+01 volume  0.88976E-02 ppm1      5.549 ppm2      9.071 CV     1
 ASSI {  751}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.300     0.300 peak   751 spectrum    1 weight  0.10000E+01 volume  0.39782E-02 ppm1      5.548 ppm2      9.241 CV     1
 ASSI {  752}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.300     0.600     0.600 peak   752 spectrum    1 weight  0.10000E+01 volume  0.19010E-02 ppm1      5.530 ppm2      8.915 CV     1
 ASSI {  755}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.300     0.300 peak   755 spectrum    1 weight  0.10000E+01 volume  0.59468E-02 ppm1      5.479 ppm2      9.386 CV     1
 ASSI {  758}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.000     0.400     0.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.19076E-02 ppm1      5.416 ppm2      9.019 CV     1
 ASSI {  759}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.200     0.200 peak   759 spectrum    1 weight  0.10000E+01 volume  0.80881E-02 ppm1      5.415 ppm2      9.176 CV     1
 ASSI {  761}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     0.400     0.400 peak   761 spectrum    1 weight  0.10000E+01 volume  0.18566E-02 ppm1      5.414 ppm2      8.353 CV     1
 ASSI {  763}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.300     0.300 peak   763 spectrum    1 weight  0.10000E+01 volume  0.34976E-02 ppm1      5.384 ppm2      9.069 CV     1
 ASSI {  764}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.400     0.400 peak   764 spectrum    1 weight  0.10000E+01 volume  0.23866E-02 ppm1      5.380 ppm2      9.371 CV     1
 ASSI {  765}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.300     0.300 peak   765 spectrum    1 weight  0.10000E+01 volume  0.56966E-02 ppm1      5.222 ppm2      9.014 CV     1
 ASSI {  767}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.400     0.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.24771E-02 ppm1      5.217 ppm2      9.175 CV     1
 ASSI {  769}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     0.400     0.400 peak   769 spectrum    1 weight  0.10000E+01 volume  0.21002E-02 ppm1      5.210 ppm2      7.735 CV     1
 ASSI {  776}
   (( segid "    " and resid 41   and name HE1 ))
   (( segid "    " and resid 40   and name HB2 ))
      3.900     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.63895E-03 ppm1      9.861 ppm2      2.888 CV     1
 ASSI {  778}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 42   and name HA  ))
      4.400     0.900     0.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.81802E-03 ppm1      9.307 ppm2      5.566 CV     1
 ASSI {  781}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     0.900     0.900 peak   781 spectrum    1 weight  0.10000E+01 volume  0.55896E-03 ppm1      9.012 ppm2      5.547 CV     1
 ASSI {  786}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      4.100     0.800     0.800 peak   786 spectrum    1 weight  0.10000E+01 volume  0.50745E-03 ppm1      9.070 ppm2      5.214 CV     1
 ASSI {  787}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     0.600     0.600 peak   787 spectrum    1 weight  0.10000E+01 volume  0.85342E-03 ppm1      9.350 ppm2      5.111 CV     1
 ASSI {  788}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      4.200     0.900     0.900 peak   788 spectrum    1 weight  0.10000E+01 volume  0.37939E-03 ppm1      9.175 ppm2      4.981 CV     1
 ASSI {  789}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.400     0.600     0.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.10776E-02 ppm1      9.091 ppm2      4.979 CV     1
 ASSI {  790}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.400     0.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.36819E-02 ppm1      8.870 ppm2      4.653 CV     1
 ASSI {  791}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.200     0.200 peak   791 spectrum    1 weight  0.10000E+01 volume  0.87402E-02 ppm1      9.018 ppm2      4.610 CV     1
 ASSI {  792}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.700     0.700     0.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.88418E-03 ppm1      9.173 ppm2      4.607 CV     1
 ASSI {  793}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.800     0.700     0.700 peak   793 spectrum    1 weight  0.10000E+01 volume  0.79104E-03 ppm1      9.544 ppm2      4.573 CV     1
 ASSI {  794}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.700     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.84486E-03 ppm1      9.012 ppm2      4.482 CV     1
 ASSI {  795}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.200     0.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.56900E-02 ppm1      9.069 ppm2      4.388 CV     1
 ASSI {  796}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 39   and name HA  ))
      2.700     0.400     0.400 peak   796 spectrum    1 weight  0.10000E+01 volume  0.39535E-02 ppm1      9.307 ppm2      4.261 CV     1
 ASSI {  797}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.700     0.700     0.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.11800E-02 ppm1      9.072 ppm2      4.237 CV     1
 ASSI {  798}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     0.500     0.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.14838E-02 ppm1      9.307 ppm2      3.984 CV     1
 ASSI {  799}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      4.300     0.900     0.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.43914E-03 ppm1      9.017 ppm2      4.048 CV     1
 ASSI {  800}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.000     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.41741E-03 ppm1      8.865 ppm2      3.984 CV     1
 ASSI {  803}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.900     0.400     0.400 peak   803 spectrum    1 weight  0.10000E+01 volume  0.15584E-02 ppm1      9.570 ppm2      2.998 CV     1
 ASSI {  804}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      3.700     0.700     0.700 peak   804 spectrum    1 weight  0.10000E+01 volume  0.14989E-02 ppm1      9.072 ppm2      2.997 CV     1
 ASSI {  805}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     0.400     0.400 peak   805 spectrum    1 weight  0.10000E+01 volume  0.15982E-02 ppm1      9.307 ppm2      2.899 CV     1
 ASSI {  806}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      5.400     1.500     0.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.20130E-03 ppm1      9.384 ppm2      2.752 CV     1
 ASSI {  807}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      3.600     0.700     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.80351E-03 ppm1      9.568 ppm2      2.746 CV     1
 ASSI {  808}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      4.100     4.100     1.900 peak   808 spectrum    1 weight  0.10000E+01 volume  0.39864E-03 ppm1      8.869 ppm2      2.743 CV     1
 ASSI {  809}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 35   and name HB3 ))
      3.300     0.500     0.500 peak   809 spectrum    1 weight  0.10000E+01 volume  0.94852E-03 ppm1      8.865 ppm2      2.618 CV     1
 ASSI {  812}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      4.200     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.39947E-03 ppm1      9.387 ppm2      2.356 CV     1
 ASSI {  813}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.100     0.900     0.900 peak   813 spectrum    1 weight  0.10000E+01 volume  0.80946E-03 ppm1      9.307 ppm2      2.040 CV     1
 ASSI {  814}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      4.600     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.39684E-03 ppm1      9.069 ppm2      2.101 CV     1
 ASSI {  815}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.200     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.55748E-03 ppm1      9.243 ppm2      1.927 CV     1
 ASSI {  816}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 58   and name HB  ))
      4.100     4.100     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.98428E-03 ppm1      9.010 ppm2      1.927 CV     1
 ASSI {  817}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.800     0.700     0.700 peak   817 spectrum    1 weight  0.10000E+01 volume  0.62760E-03 ppm1      9.353 ppm2      1.676 CV     1
 ASSI {  818}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      3.100     0.500     0.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      9.009 ppm2      1.643 CV     1
 ASSI {  819}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.700     0.400     0.400 peak   819 spectrum    1 weight  0.10000E+01 volume  0.34367E-02 ppm1      8.894 ppm2      1.672 CV     1
 ASSI {  820}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 31   and name HB3 ))
      4.300     0.900     0.900 peak   820 spectrum    1 weight  0.10000E+01 volume  0.43288E-03 ppm1      9.173 ppm2      1.468 CV     1
 ASSI {  821}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      3.700     0.700     0.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.61311E-03 ppm1      9.383 ppm2      1.411 CV     1
 ASSI {  822}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.000     3.000     3.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.17792E-02 ppm1      9.247 ppm2      1.384 CV     1
 OR {  822}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG3 ))
 ASSI {  823}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
      3.800     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.10337E-02 ppm1      9.092 ppm2      1.393 CV     1
 ASSI {  825}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 30   and name HG12))
      4.100     0.800     0.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.67138E-03 ppm1      9.174 ppm2      1.141 CV     1
 OR {  825}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 30   and name HG13))
 ASSI {  826}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG1%)
      2.600     0.300     0.300 peak   826 spectrum    1 weight  0.10000E+01 volume  0.46679E-02 ppm1      9.067 ppm2      1.142 CV     1
 ASSI {  827}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HG1%)
      3.300     0.500     0.500 peak   827 spectrum    1 weight  0.10000E+01 volume  0.18122E-02 ppm1      9.015 ppm2      1.050 CV     1
 ASSI {  829}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 30   and name HG2%)
      3.200     0.500     0.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      9.177 ppm2      0.899 CV     1
 ASSI {  830}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     0.500     0.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.17694E-02 ppm1      9.090 ppm2      0.914 CV     1
 ASSI {  831}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 61   and name HD2%)
      3.500     0.600     0.600 peak   831 spectrum    1 weight  0.10000E+01 volume  0.16254E-02 ppm1      9.012 ppm2      0.862 CV     1
 ASSI {  832}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.200     0.500     0.500 peak   832 spectrum    1 weight  0.10000E+01 volume  0.12746E-02 ppm1      8.894 ppm2      0.852 CV     1
 ASSI {  833}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.300     4.300     1.700 peak   833 spectrum    1 weight  0.10000E+01 volume  0.38696E-03 ppm1      9.572 ppm2      0.827 CV     1
 ASSI {  834}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.500     0.600     0.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.96832E-03 ppm1      9.245 ppm2      0.820 CV     1
 ASSI {  835}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      3.400     0.600     0.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.17167E-02 ppm1      9.240 ppm2      0.774 CV     1
 ASSI {  836}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.400     0.600     0.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      9.175 ppm2      0.777 CV     1
 ASSI {  837}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      3.300     0.600     0.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.14188E-02 ppm1      9.074 ppm2      0.776 CV     1
 ASSI {  838}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 8    and name HD2%)
      3.400     0.600     0.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.20114E-02 ppm1      9.017 ppm2      0.776 CV     1
 ASSI {  839}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     0.600     0.600 peak   839 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      8.867 ppm2      0.699 CV     1
 ASSI {  840}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 23   and name HG1%)
      3.600     0.600     0.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.72981E-03 ppm1      8.914 ppm2      0.690 CV     1
 ASSI {  841}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      2.300     0.300     0.300 peak   841 spectrum    1 weight  0.10000E+01 volume  0.75186E-02 ppm1      9.069 ppm2      0.699 CV     1
 ASSI {  842}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.900     0.700     0.700 peak   842 spectrum    1 weight  0.10000E+01 volume  0.51452E-03 ppm1      9.172 ppm2      0.700 CV     1
 ASSI {  843}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.500     0.600     0.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.13001E-02 ppm1      9.374 ppm2      0.692 CV     1
 ASSI {  844}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      3.300     0.500     0.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      9.570 ppm2      0.700 CV     1
 ASSI {  845}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      3.800     0.700     0.700 peak   845 spectrum    1 weight  0.10000E+01 volume  0.13951E-02 ppm1      9.242 ppm2      0.653 CV     1
 ASSI {  846}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.700     0.700     0.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.76405E-03 ppm1      9.381 ppm2      0.606 CV     1
 ASSI {  847}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.100     0.800     0.800 peak   847 spectrum    1 weight  0.10000E+01 volume  0.38103E-03 ppm1      8.920 ppm2      0.607 CV     1
 ASSI {  848}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      4.200     0.900     0.900 peak   848 spectrum    1 weight  0.10000E+01 volume  0.45724E-03 ppm1      9.174 ppm2      0.385 CV     1
 ASSI {  849}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      3.700     0.700     0.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.66924E-03 ppm1      9.572 ppm2     -0.041 CV     1
 ASSI {  850}
   (( segid "    " and resid 42   and name HE1 ))
   (  segid "    " and resid 55   and name HB% )
      2.700     0.400     0.400 peak   850 spectrum    1 weight  0.10000E+01 volume  0.35519E-02 ppm1      9.307 ppm2     -0.041 CV     1
 ASSI {  851}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.400     1.000     1.000 peak   851 spectrum    1 weight  0.10000E+01 volume  0.39256E-03 ppm1      8.412 ppm2      5.396 CV     1
 ASSI {  852}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.400     1.000     1.000 peak   852 spectrum    1 weight  0.10000E+01 volume  0.31026E-03 ppm1      8.186 ppm2      5.414 CV     1
 ASSI {  853}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.400     0.900     0.900 peak   853 spectrum    1 weight  0.10000E+01 volume  0.46777E-03 ppm1      8.658 ppm2      5.221 CV     1
 ASSI {  854}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.300     0.300 peak   854 spectrum    1 weight  0.10000E+01 volume  0.29512E-02 ppm1      8.506 ppm2      5.221 CV     1
 ASSI {  855}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     0.900     0.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.61163E-03 ppm1      8.620 ppm2      5.029 CV     1
 ASSI {  856}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      3.600     0.600     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.14873E-02 ppm1      8.621 ppm2      4.909 CV     1
 ASSI {  857}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      4.500     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.44836E-03 ppm1      8.500 ppm2      4.911 CV     1
 ASSI {  858}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      4.400     1.000     1.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.57081E-03 ppm1      8.458 ppm2      4.830 CV     1
 ASSI {  861}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.000     0.800     0.800 peak   861 spectrum    1 weight  0.10000E+01 volume  0.62578E-03 ppm1      8.660 ppm2      4.588 CV     1
 ASSI {  862}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     3.900     2.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.46185E-03 ppm1      8.617 ppm2      4.578 CV     1
 ASSI {  863}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.100     0.200     0.200 peak   863 spectrum    1 weight  0.10000E+01 volume  0.91544E-02 ppm1      8.504 ppm2      4.479 CV     1
 ASSI {  865}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.900     0.700     0.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.63039E-03 ppm1      8.612 ppm2      4.387 CV     1
 ASSI {  866}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.800     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.76122E-03 ppm1      8.607 ppm2      4.234 CV     1
 ASSI {  869}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      3.200     0.500     0.500 peak   869 spectrum    1 weight  0.10000E+01 volume  0.12289E-02 ppm1      8.612 ppm2      4.046 CV     1
 ASSI {  874}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.85850E-03 ppm1      8.206 ppm2      3.882 CV     1
 ASSI {  876}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HD3 ))
      4.300     0.900     0.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.36639E-03 ppm1      8.553 ppm2      3.308 CV     1
 ASSI {  877}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.300     0.900     0.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.42334E-03 ppm1      8.501 ppm2      3.309 CV     1
 ASSI {  878}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     0.600     0.600 peak   878 spectrum    1 weight  0.10000E+01 volume  0.15982E-02 ppm1      8.429 ppm2      3.310 CV     1
 ASSI {  879}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.900     0.400     0.400 peak   879 spectrum    1 weight  0.10000E+01 volume  0.31618E-02 ppm1      8.501 ppm2      3.192 CV     1
 ASSI {  880}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HB3 ))
      5.300     1.400     0.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.33725E-03 ppm1      8.458 ppm2      2.757 CV     1
 ASSI {  881}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.400     1.000     1.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.42400E-03 ppm1      8.516 ppm2      2.889 CV     1
 ASSI {  882}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      4.100     0.800     0.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.53575E-03 ppm1      8.205 ppm2      2.806 CV     1
 ASSI {  883}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.300     0.500     0.500 peak   883 spectrum    1 weight  0.10000E+01 volume  0.62348E-03 ppm1      8.315 ppm2      2.804 CV     1
 ASSI {  884}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      2.900     0.400     0.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.21315E-02 ppm1      8.616 ppm2      2.748 CV     1
 ASSI {  885}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 25   and name HG3 ))
      3.200     0.500     0.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.94757E-03 ppm1      8.621 ppm2      2.564 CV     1
 ASSI {  887}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.500     1.000     1.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.41132E-03 ppm1      8.353 ppm2      2.375 CV     1
 ASSI {  888}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.800     0.700     0.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.40490E-03 ppm1      8.186 ppm2      2.336 CV     1
 ASSI {  889}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
      3.000     0.500     0.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.14567E-02 ppm1      8.501 ppm2      2.328 CV     1
 ASSI {  890}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HG2 ))
      3.900     0.800     0.800 peak   890 spectrum    1 weight  0.10000E+01 volume  0.57295E-03 ppm1      8.721 ppm2      2.339 CV     1
 ASSI {  893}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      3.400     0.600     0.600 peak   893 spectrum    1 weight  0.10000E+01 volume  0.89970E-03 ppm1      8.412 ppm2      2.110 CV     1
 ASSI {  894}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.200     0.900     0.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.72273E-03 ppm1      8.411 ppm2      1.963 CV     1
 ASSI {  895}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     3.100     2.900 peak   895 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      8.671 ppm2      1.803 CV     1
 ASSI {  897}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      2.400     0.300     0.300 peak   897 spectrum    1 weight  0.10000E+01 volume  0.70035E-02 ppm1      8.429 ppm2      1.671 CV     1
 ASSI {  898}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.000     0.800     0.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.40572E-03 ppm1      8.353 ppm2      1.557 CV     1
 OR {  898}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 61   and name HB3 ))
 ASSI {  899}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 34   and name HG  ))
      3.400     0.600     0.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.91283E-03 ppm1      8.612 ppm2      1.421 CV     1
 ASSI {  900}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.700     0.700     0.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.60982E-03 ppm1      8.618 ppm2      1.348 CV     1
 ASSI {  901}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 12   and name HG  ))
      3.900     3.900     2.100 peak   901 spectrum    1 weight  0.10000E+01 volume  0.93604E-03 ppm1      8.658 ppm2      1.328 CV     1
 ASSI {  902}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 37   and name HG2%)
      3.600     0.700     0.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.69656E-03 ppm1      8.719 ppm2      1.322 CV     1
 ASSI {  904}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      3.600     0.700     0.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.10114E-02 ppm1      8.614 ppm2      1.142 CV     1
 ASSI {  905}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HG2 ))
      4.500     1.000     1.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.41658E-03 ppm1      8.502 ppm2      1.139 CV     1
 OR {  905}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 27   and name HG3 ))
 ASSI {  908}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      3.100     3.100     2.900 peak   908 spectrum    1 weight  0.10000E+01 volume  0.83122E-03 ppm1      8.607 ppm2      0.958 CV     1
 ASSI {  909}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 46   and name HG2%)
      4.000     0.800     0.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.42416E-03 ppm1      8.186 ppm2      0.961 CV     1
 ASSI {  910}
   (( segid "    " and resid 46   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.200     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.39321E-03 ppm1      8.913 ppm2      0.894 CV     1
 ASSI {  911}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.700     0.700     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.57509E-03 ppm1      8.612 ppm2      0.898 CV     1
 ASSI {  912}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     0.600     0.600 peak   912 spectrum    1 weight  0.10000E+01 volume  0.95069E-03 ppm1      8.411 ppm2      0.898 CV     1
 ASSI {  913}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.400     0.600     0.600 peak   913 spectrum    1 weight  0.10000E+01 volume  0.87910E-03 ppm1      8.429 ppm2      0.852 CV     1
 ASSI {  914}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      2.900     0.400     0.400 peak   914 spectrum    1 weight  0.10000E+01 volume  0.16756E-02 ppm1      8.658 ppm2      0.824 CV     1
 ASSI {  915}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      4.100     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.55764E-03 ppm1      8.412 ppm2      0.822 CV     1
 ASSI {  916}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 44   and name HG2%)
      4.000     0.800     0.800 peak   916 spectrum    1 weight  0.10000E+01 volume  0.75020E-03 ppm1      8.412 ppm2      0.776 CV     1
 ASSI {  917}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      3.000     0.400     0.400 peak   917 spectrum    1 weight  0.10000E+01 volume  0.28360E-02 ppm1      8.609 ppm2      0.689 CV     1
 ASSI {  918}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 34   and name HD1%)
      4.500     1.000     1.000 peak   918 spectrum    1 weight  0.10000E+01 volume  0.38153E-03 ppm1      8.553 ppm2      0.689 CV     1
 ASSI {  919}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 12   and name HD2%)
      4.200     0.900     0.900 peak   919 spectrum    1 weight  0.10000E+01 volume  0.55978E-03 ppm1      8.658 ppm2      0.654 CV     1
 ASSI {  920}
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 12   and name HD1%)
      3.600     3.600     2.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.56867E-03 ppm1      8.658 ppm2      0.609 CV     1
 ASSI {  921}
   (( segid "    " and resid 51   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      3.000     0.400     0.400 peak   921 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      8.606 ppm2      0.605 CV     1
 ASSI {  922}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 43   and name HG3 ))
      3.700     0.700     0.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.53493E-03 ppm1      8.606 ppm2      0.135 CV     1
 ASSI {  923}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      3.800     0.700     0.700 peak   923 spectrum    1 weight  0.10000E+01 volume  0.42877E-03 ppm1      8.315 ppm2     -0.041 CV     1
 ASSI {  924}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      3.500     0.600     0.600 peak   924 spectrum    1 weight  0.10000E+01 volume  0.39338E-03 ppm1      7.923 ppm2     -0.040 CV     1
 ASSI {  925}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 55   and name HB% )
      2.600     0.300     0.300 peak   925 spectrum    1 weight  0.10000E+01 volume  0.42959E-02 ppm1      7.670 ppm2     -0.041 CV     1
 ASSI {  926}
   (( segid "    " and resid 42   and name HZ2 ))
   (  segid "    " and resid 55   and name HB% )
      3.300     0.500     0.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.12815E-02 ppm1      7.556 ppm2     -0.041 CV     1
 ASSI {  928}
   (( segid "    " and resid 42   and name HD1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.800     0.700     0.700 peak   928 spectrum    1 weight  0.10000E+01 volume  0.95236E-03 ppm1      7.670 ppm2      0.699 CV     1
 ASSI {  930}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
      4.000     0.800     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.66973E-03 ppm1      7.923 ppm2      0.775 CV     1
 ASSI {  931}
   (( segid "    " and resid 57   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      3.800     0.700     0.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.98029E-03 ppm1      7.925 ppm2      0.823 CV     1
 ASSI {  932}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.900     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.89651E-03 ppm1      7.564 ppm2      0.827 CV     1
 ASSI {  934}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HG2 ))
      3.800     0.700     0.700 peak   934 spectrum    1 weight  0.10000E+01 volume  0.90608E-03 ppm1      7.569 ppm2      0.966 CV     1
 ASSI {  935}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
      3.100     3.100     2.900 peak   935 spectrum    1 weight  0.10000E+01 volume  0.90826E-03 ppm1      7.569 ppm2      1.004 CV     1
 ASSI {  937}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.600     0.600     0.600 peak   937 spectrum    1 weight  0.10000E+01 volume  0.66776E-03 ppm1      8.207 ppm2      1.195 CV     1
 ASSI {  939}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.100     0.500     0.500 peak   939 spectrum    1 weight  0.10000E+01 volume  0.11215E-02 ppm1      7.923 ppm2      1.195 CV     1
 ASSI {  940}
   (( segid "    " and resid 35   and name HD21))
   (  segid "    " and resid 37   and name HG2%)
      4.200     0.900     0.900 peak   940 spectrum    1 weight  0.10000E+01 volume  0.80830E-03 ppm1      7.944 ppm2      1.323 CV     1
 ASSI {  941}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HB3 ))
      3.500     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.19027E-02 ppm1      7.922 ppm2      1.350 CV     1
 ASSI {  942}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      3.400     0.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.23076E-02 ppm1      8.087 ppm2      1.348 CV     1
 ASSI {  943}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     0.700     0.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.20574E-02 ppm1      7.569 ppm2      1.466 CV     1
 ASSI {  944}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG  ))
      4.400     1.000     1.000 peak   944 spectrum    1 weight  0.10000E+01 volume  0.51287E-03 ppm1      8.080 ppm2      1.641 CV     1
 ASSI {  946}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB3 ))
      4.400     0.900     0.900 peak   946 spectrum    1 weight  0.10000E+01 volume  0.79793E-03 ppm1      7.765 ppm2      1.791 CV     1
 ASSI {  951}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.000     0.800     0.800 peak   951 spectrum    1 weight  0.10000E+01 volume  0.71039E-03 ppm1      7.670 ppm2      2.041 CV     1
 ASSI {  952}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.300     0.900     0.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.52044E-03 ppm1      7.560 ppm2      2.042 CV     1
 ASSI {  954}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.800     2.800     3.200 peak   954 spectrum    1 weight  0.10000E+01 volume  0.27553E-02 ppm1      7.765 ppm2      2.267 CV     1
 OR {  954}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  955}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.600     3.600     2.400 peak   955 spectrum    1 weight  0.10000E+01 volume  0.14259E-02 ppm1      7.765 ppm2      2.351 CV     1
 ASSI {  956}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      4.500     1.000     1.000 peak   956 spectrum    1 weight  0.10000E+01 volume  0.66249E-03 ppm1      7.574 ppm2      2.253 CV     1
 ASSI {  957}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HG3 ))
      3.700     3.700     2.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.72669E-03 ppm1      7.574 ppm2      2.356 CV     1
 ASSI {  958}
   (( segid "    " and resid 16   and name HE21))
   (( segid "    " and resid 16   and name HG3 ))
      3.100     0.500     0.500 peak   958 spectrum    1 weight  0.10000E+01 volume  0.11184E-02 ppm1      7.512 ppm2      2.236 CV     1
 ASSI {  959}
   (( segid "    " and resid 16   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
      3.900     3.900     2.100 peak   959 spectrum    1 weight  0.10000E+01 volume  0.42646E-03 ppm1      7.512 ppm2      2.353 CV     1
 OR {  959}
   (( segid "    " and resid 16   and name HE21))
   (( segid "    " and resid 17   and name HG3 ))
 ASSI {  960}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     0.600     0.600 peak   960 spectrum    1 weight  0.10000E+01 volume  0.60768E-03 ppm1      7.923 ppm2      2.723 CV     1
 ASSI {  961}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.500     0.600     0.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1      7.764 ppm2      2.747 CV     1
 ASSI {  962}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.900     0.800     0.800 peak   962 spectrum    1 weight  0.10000E+01 volume  0.60620E-03 ppm1      7.670 ppm2      2.729 CV     1
 ASSI {  963}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 36   and name HB2 ))
      3.500     0.600     0.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      7.670 ppm2      2.899 CV     1
 ASSI {  968}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.300     0.300 peak   968 spectrum    1 weight  0.10000E+01 volume  0.53328E-02 ppm1      7.670 ppm2      3.983 CV     1
 ASSI {  970}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HB  ))
      4.300     0.900     0.900 peak   970 spectrum    1 weight  0.10000E+01 volume  0.54793E-03 ppm1      8.087 ppm2      4.002 CV     1
 ASSI {  971}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.800     0.700     0.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.19587E-02 ppm1      7.765 ppm2      4.160 CV     1
 ASSI {  972}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      3.300     0.500     0.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.92175E-03 ppm1      7.571 ppm2      4.195 CV     1
 ASSI {  973}
   (( segid "    " and resid 42   and name HZ2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.100     0.800     0.800 peak   973 spectrum    1 weight  0.10000E+01 volume  0.36853E-03 ppm1      7.558 ppm2      4.259 CV     1
 ASSI {  976}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      3.900     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.12394E-02 ppm1      7.567 ppm2      4.387 CV     1
 ASSI {  977}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     0.600     0.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.66397E-03 ppm1      7.736 ppm2      4.550 CV     1
 ASSI {  978}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.100     0.200     0.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.10356E-01 ppm1      8.088 ppm2      4.571 CV     1
 ASSI {  980}
   (( segid "    " and resid 35   and name HD21))
   (( segid "    " and resid 35   and name HA  ))
      3.700     0.700     0.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.80373E-03 ppm1      7.944 ppm2      4.726 CV     1
 ASSI {  981}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      3.600     0.600     0.600 peak   981 spectrum    1 weight  0.10000E+01 volume  0.86430E-03 ppm1      7.574 ppm2      4.893 CV     1
 ASSI {  982}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.300     0.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.36227E-02 ppm1      8.087 ppm2      5.035 CV     1
 ASSI {  984}
   (( segid "    " and resid 42   and name HD1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.900     0.700     0.700 peak   984 spectrum    1 weight  0.10000E+01 volume  0.56110E-03 ppm1      7.670 ppm2      5.207 CV     1
 ASSI {  985}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      4.300     0.900     0.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.62134E-03 ppm1      7.567 ppm2      5.384 CV     1
 ASSI {  986}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.100     3.100     2.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.80932E-03 ppm1      7.392 ppm2      5.559 CV     1
 ASSI {  987}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 22   and name HA  ))
      4.100     0.800     0.800 peak   987 spectrum    1 weight  0.10000E+01 volume  0.91051E-03 ppm1      7.227 ppm2      5.477 CV     1
 ASSI {  988}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     0.900     0.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.54662E-03 ppm1      7.099 ppm2      5.549 CV     1
 ASSI {  989}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 52   and name HA  ))
      4.100     0.800     0.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.61295E-03 ppm1      6.939 ppm2      5.550 CV     1
 ASSI {  990}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HA  ))
      3.800     0.700     0.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.73903E-03 ppm1      7.225 ppm2      5.209 CV     1
 ASSI {  991}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     0.400     0.400 peak   991 spectrum    1 weight  0.10000E+01 volume  0.25117E-02 ppm1      6.939 ppm2      5.207 CV     1
 ASSI {  992}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 24   and name HA  ))
      3.500     0.600     0.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.57328E-03 ppm1      7.238 ppm2      5.035 CV     1
 ASSI {  995}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     0.500     0.500 peak   995 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      6.939 ppm2      4.787 CV     1
 ASSI {  996}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 57   and name HA  ))
      2.600     2.600     3.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      6.897 ppm2      4.769 CV     1
 ASSI {  998}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.400     0.600     0.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.16338E-02 ppm1      7.095 ppm2      4.586 CV     1
 ASSI {  999}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 21   and name HA  ))
      3.700     0.700     0.700 peak   999 spectrum    1 weight  0.10000E+01 volume  0.59221E-03 ppm1      7.227 ppm2      4.550 CV     1
 ASSI { 1002}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HA  ))
      4.300     0.900     0.900 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.60982E-03 ppm1      7.045 ppm2      4.549 CV     1
 ASSI { 1005}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HA  ))
      3.800     0.700     0.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.61427E-03 ppm1      7.389 ppm2      4.237 CV     1
 ASSI { 1006}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HA  ))
      3.200     0.500     0.500 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.12147E-02 ppm1      7.225 ppm2      4.238 CV     1
 ASSI { 1008}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 51   and name HA2 ))
      3.100     3.100     2.900 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.78610E-03 ppm1      7.225 ppm2      3.959 CV     1
 ASSI { 1009}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 51   and name HA1 ))
      3.200     0.500     0.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.10687E-02 ppm1      7.225 ppm2      3.904 CV     1
 ASSI { 1011}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.900     0.800     0.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.53279E-03 ppm1      7.479 ppm2      4.157 CV     1
 ASSI { 1012}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.500     0.600     0.600 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.91907E-03 ppm1      7.483 ppm2      4.119 CV     1
 ASSI { 1013}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 56   and name HA  ))
      4.200     0.900     0.900 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.46119E-03 ppm1      6.992 ppm2      4.118 CV     1
 ASSI { 1018}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 54   and name HA  ))
      3.000     3.000     3.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.16476E-02 ppm1      6.939 ppm2      3.880 CV     1
 ASSI { 1027}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 57   and name HB2 ))
      4.500     1.000     1.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.60340E-03 ppm1      7.095 ppm2      3.352 CV     1
 ASSI { 1028}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      3.400     0.600     0.600 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.83644E-03 ppm1      7.097 ppm2      3.310 CV     1
 ASSI { 1029}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 57   and name HB3 ))
      2.400     0.300     0.300 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.47666E-02 ppm1      6.992 ppm2      3.184 CV     1
 ASSI { 1031}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      2.400     0.300     0.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.40177E-02 ppm1      6.994 ppm2      3.103 CV     1
 ASSI { 1034}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      2.900     0.400     0.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.21825E-02 ppm1      7.238 ppm2      3.102 CV     1
 ASSI { 1036}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 52   and name HB2 ))
      3.000     3.000     3.000 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.47107E-02 ppm1      6.938 ppm2      3.006 CV     1
 ASSI { 1037}
   (( segid "    " and resid 41   and name HD1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.400     0.300     0.300 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.60077E-02 ppm1      7.045 ppm2      2.887 CV     1
 ASSI { 1038}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 15   and name HB3 ))
      3.600     0.600     0.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.17200E-02 ppm1      6.990 ppm2      2.835 CV     1
 ASSI { 1039}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB3 ))
      3.900     0.700     0.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.10876E-02 ppm1      6.895 ppm2      2.834 CV     1
 ASSI { 1040}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.800     0.400     0.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.22500E-02 ppm1      7.113 ppm2      2.815 CV     1
 ASSI { 1041}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB3 ))
      2.600     0.300     0.300 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1      7.235 ppm2      2.836 CV     1
 ASSI { 1043}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 41   and name HB3 ))
      3.800     0.700     0.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.59007E-03 ppm1      7.391 ppm2      2.761 CV     1
 ASSI { 1044}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 41   and name HB3 ))
      2.500     0.300     0.300 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.31322E-02 ppm1      7.231 ppm2      2.757 CV     1
 ASSI { 1045}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     0.500     0.500 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      7.113 ppm2      2.725 CV     1
 ASSI { 1046}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 41   and name HB3 ))
      3.000     0.400     0.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.15243E-02 ppm1      6.941 ppm2      2.755 CV     1
 ASSI { 1047}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 22   and name HG2 ))
      3.000     0.500     0.500 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      6.891 ppm2      2.750 CV     1
 ASSI { 1048}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HE2 ))
      3.000     0.400     0.400 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.12481E-02 ppm1      7.393 ppm2      2.618 CV     1
 ASSI { 1050}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 52   and name HB3 ))
      2.900     0.400     0.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.15174E-02 ppm1      6.939 ppm2      2.439 CV     1
 ASSI { 1052}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 13   and name HB3 ))
      3.600     0.700     0.700 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.31635E-02 ppm1      6.992 ppm2      2.324 CV     1
 ASSI { 1054}
   (( segid "    " and resid 50   and name HE21))
   (( segid "    " and resid 50   and name HG3 ))
      3.000     0.500     0.500 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.17118E-02 ppm1      7.183 ppm2      2.099 CV     1
 ASSI { 1059}
   (( segid "    " and resid 41   and name HE3 ))
   (( segid "    " and resid 54   and name HD3 ))
      3.600     0.600     0.600 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.87315E-03 ppm1      6.937 ppm2      2.229 CV     1
 ASSI { 1062}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     0.700     0.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.10037E-02 ppm1      7.479 ppm2      2.251 CV     1
 ASSI { 1063}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 54   and name HD2 ))
      3.600     0.600     0.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.54826E-03 ppm1      7.245 ppm2      2.074 CV     1
 ASSI { 1066}
   (( segid "    " and resid 42   and name HE3 ))
   (( segid "    " and resid 36   and name HB3 ))
      4.100     0.800     0.800 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.50300E-03 ppm1      7.113 ppm2      2.032 CV     1
 ASSI { 1074}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HB% )
      3.100     0.500     0.500 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.17266E-02 ppm1      7.097 ppm2      1.672 CV     1
 ASSI { 1075}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HB2 ))
      3.200     0.500     0.500 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.76158E-03 ppm1      7.392 ppm2      1.470 CV     1
 ASSI { 1076}
   (  segid "    " and resid 52   and name HE% )
   (  segid "    " and resid 21   and name HB% )
      3.200     0.500     0.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.14565E-02 ppm1      7.392 ppm2      1.409 CV     1
 ASSI { 1077}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HB2 ))
      3.600     0.600     0.600 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.47090E-03 ppm1      7.225 ppm2      1.463 CV     1
 ASSI { 1078}
   (  segid "    " and resid 52   and name HD% )
   (  segid "    " and resid 21   and name HB% )
      2.500     0.300     0.300 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.48868E-02 ppm1      7.225 ppm2      1.408 CV     1
 ASSI { 1080}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HD2 ))
      3.100     0.500     0.500 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14950E-02 ppm1      7.391 ppm2      1.309 CV     1
 OR { 1080}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 1081}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 43   and name HD2 ))
      3.200     0.500     0.500 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.13237E-02 ppm1      7.347 ppm2      1.307 CV     1
 OR { 1081}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 1082}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 53   and name HG1%)
      2.900     0.400     0.400 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.16509E-02 ppm1      7.236 ppm2      1.144 CV     1
 ASSI { 1084}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HB3 ))
      2.600     0.300     0.300 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.54728E-02 ppm1      6.992 ppm2      1.350 CV     1
 ASSI { 1085}
   (  segid "    " and resid 57   and name HE% )
   (  segid "    " and resid 56   and name HB% )
      2.900     0.400     0.400 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.25677E-02 ppm1      6.895 ppm2      1.351 CV     1
 ASSI { 1086}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.300     0.300 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.31010E-02 ppm1      6.992 ppm2      1.194 CV     1
 ASSI { 1087}
   (  segid "    " and resid 57   and name HE% )
   (( segid "    " and resid 54   and name HB2 ))
      3.500     0.600     0.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      6.897 ppm2      1.193 CV     1
 ASSI { 1088}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 53   and name HG1%)
      3.400     0.600     0.600 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.94097E-03 ppm1      6.891 ppm2      1.148 CV     1
 ASSI { 1091}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.000     0.400     0.400 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1      7.095 ppm2      1.063 CV     1
 ASSI { 1092}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 9    and name HG1%)
      4.000     0.800     0.800 peak  1092 spectrum    1 weight  0.10000E+01 volume  0.99378E-03 ppm1      7.223 ppm2      1.042 CV     1
 ASSI { 1097}
   (( segid "    " and resid 47   and name HD22))
   (  segid "    " and resid 46   and name HG1%)
      3.900     0.800     0.800 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.92088E-03 ppm1      7.013 ppm2      1.029 CV     1
 ASSI { 1098}
   (( segid "    " and resid 47   and name HD22))
   (  segid "    " and resid 46   and name HG2%)
      4.100     0.800     0.800 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.53328E-03 ppm1      7.013 ppm2      0.962 CV     1
 ASSI { 1099}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 58   and name HG1%)
      3.700     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.11533E-02 ppm1      7.223 ppm2      0.825 CV     1
 ASSI { 1101}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 58   and name HG2%)
      3.800     0.700     0.700 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.13306E-02 ppm1      7.112 ppm2      0.774 CV     1
 ASSI { 1102}
   (  segid "    " and resid 57   and name HD% )
   (  segid "    " and resid 58   and name HG2%)
      3.300     3.300     2.700 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.57525E-03 ppm1      6.990 ppm2      0.775 CV     1
 ASSI { 1104}
   (( segid "    " and resid 50   and name HE21))
   (  segid "    " and resid 34   and name HD1%)
      3.300     0.500     0.500 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.91007E-03 ppm1      7.187 ppm2      0.683 CV     1
 ASSI { 1105}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 33   and name HD2%)
      2.200     0.200     0.200 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.71845E-02 ppm1      7.112 ppm2      0.700 CV     1
 ASSI { 1106}
   (( segid "    " and resid 41   and name HE3 ))
   (  segid "    " and resid 53   and name HG2%)
      4.100     0.800     0.800 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.55238E-03 ppm1      6.937 ppm2      0.699 CV     1
 ASSI { 1107}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 54   and name HG3 ))
      3.700     0.700     0.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.47798E-03 ppm1      7.255 ppm2      0.603 CV     1
 ASSI { 1109}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HG3 ))
      3.400     3.400     2.600 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.50563E-03 ppm1      6.992 ppm2      0.603 CV     1
 ASSI { 1111}
   (( segid "    " and resid 42   and name HH2 ))
   (  segid "    " and resid 33   and name HD1%)
      4.000     0.800     0.800 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.57673E-03 ppm1      7.224 ppm2      0.385 CV     1
 ASSI { 1112}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 33   and name HD1%)
      3.100     0.500     0.500 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.15088E-02 ppm1      7.113 ppm2      0.385 CV     1
 ASSI { 1113}
   (( segid "    " and resid 41   and name HH2 ))
   (( segid "    " and resid 54   and name HG2 ))
      4.600     1.000     1.000 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.44917E-03 ppm1      7.255 ppm2      0.289 CV     1
 ASSI { 1114}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 54   and name HG2 ))
      3.500     0.600     0.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.87765E-03 ppm1      6.992 ppm2      0.290 CV     1
 ASSI { 1115}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 54   and name HG2 ))
      3.200     0.500     0.500 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      6.893 ppm2      0.289 CV     1
 ASSI { 1116}
   (  segid "    " and resid 52   and name HE% )
   (( segid "    " and resid 43   and name HG3 ))
      3.300     0.600     0.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.71647E-03 ppm1      7.391 ppm2      0.135 CV     1
 ASSI { 1117}
   (  segid "    " and resid 52   and name HD% )
   (( segid "    " and resid 43   and name HG3 ))
      3.600     0.600     0.600 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.40671E-03 ppm1      7.225 ppm2      0.134 CV     1
 ASSI { 1119}
   (( segid "    " and resid 42   and name HE3 ))
   (  segid "    " and resid 55   and name HB% )
      3.900     0.800     0.800 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.42284E-03 ppm1      7.113 ppm2     -0.042 CV     1
 ASSI { 1120}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HG2 ))
      4.200     0.900     0.900 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.92915E-03 ppm1      6.574 ppm2      0.290 CV     1
 ASSI { 1121}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 33   and name HD1%)
      2.900     0.400     0.400 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.22187E-02 ppm1      6.728 ppm2      0.384 CV     1
 ASSI { 1122}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB3 ))
      3.200     0.500     0.500 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.13870E-02 ppm1      6.678 ppm2      0.449 CV     1
 ASSI { 1123}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HB3 ))
      3.100     0.500     0.500 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.15552E-02 ppm1      6.595 ppm2      0.452 CV     1
 ASSI { 1124}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HG3 ))
      3.200     0.500     0.500 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.14150E-02 ppm1      6.575 ppm2      0.600 CV     1
 ASSI { 1125}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 12   and name HD1%)
      3.700     0.700     0.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.94083E-03 ppm1      6.599 ppm2      0.611 CV     1
 ASSI { 1126}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 12   and name HD1%)
      4.200     0.900     0.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.53246E-03 ppm1      6.676 ppm2      0.610 CV     1
 ASSI { 1128}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 12   and name HD2%)
      2.700     0.400     0.400 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.36491E-02 ppm1      6.597 ppm2      0.652 CV     1
 ASSI { 1129}
   (( segid "    " and resid 50   and name HE22))
   (  segid "    " and resid 34   and name HD1%)
      3.400     0.600     0.600 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.11378E-02 ppm1      6.702 ppm2      0.682 CV     1
 ASSI { 1130}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 33   and name HD2%)
      3.400     0.600     0.600 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.17282E-02 ppm1      6.728 ppm2      0.699 CV     1
 ASSI { 1131}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 58   and name HG1%)
      2.400     0.300     0.300 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.67006E-02 ppm1      6.728 ppm2      0.823 CV     1
 ASSI { 1132}
   (( segid "    " and resid 42   and name HZ3 ))
   (  segid "    " and resid 9    and name HG1%)
      2.400     0.300     0.300 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.53230E-02 ppm1      6.729 ppm2      1.050 CV     1
 ASSI { 1133}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      2.800     0.400     0.400 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.22582E-02 ppm1      6.678 ppm2      1.065 CV     1
 ASSI { 1134}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 12   and name HB2 ))
      2.900     0.400     0.400 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.20130E-02 ppm1      6.597 ppm2      1.066 CV     1
 ASSI { 1135}
   (( segid "    " and resid 41   and name HZ3 ))
   (  segid "    " and resid 53   and name HG1%)
      4.100     0.800     0.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.65311E-03 ppm1      6.573 ppm2      1.147 CV     1
 ASSI { 1137}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 56   and name HB% )
      3.700     0.700     0.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.57311E-03 ppm1      6.597 ppm2      1.348 CV     1
 ASSI { 1139}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.800     0.400     0.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.27454E-02 ppm1      6.728 ppm2      1.760 CV     1
 ASSI { 1141}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HD2 ))
      4.200     0.900     0.900 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.14133E-02 ppm1      6.573 ppm2      2.075 CV     1
 ASSI { 1151}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 36   and name HB3 ))
      3.200     3.200     2.800 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.73757E-03 ppm1      6.729 ppm2      2.042 CV     1
 ASSI { 1152}
   (( segid "    " and resid 50   and name HE22))
   (( segid "    " and resid 50   and name HG3 ))
      3.700     0.700     0.700 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.12980E-02 ppm1      6.699 ppm2      2.100 CV     1
 ASSI { 1153}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HD3 ))
      2.600     0.300     0.300 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.28442E-02 ppm1      6.577 ppm2      2.228 CV     1
 ASSI { 1156}
   (( segid "    " and resid 16   and name HE22))
   (( segid "    " and resid 16   and name HG3 ))
      4.300     0.900     0.900 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.64652E-03 ppm1      6.842 ppm2      2.237 CV     1
 ASSI { 1157}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 22   and name HG3 ))
      3.400     0.600     0.600 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.11900E-02 ppm1      6.573 ppm2      2.352 CV     1
 ASSI { 1158}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HE3 ))
      3.800     0.700     0.700 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.68569E-03 ppm1      6.728 ppm2      2.725 CV     1
 ASSI { 1159}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HE2 ))
      4.100     0.800     0.800 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.69211E-03 ppm1      6.729 ppm2      2.843 CV     1
 ASSI { 1161}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 18   and name HE3 ))
      3.900     0.800     0.800 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.62151E-03 ppm1      6.573 ppm2      3.005 CV     1
 ASSI { 1163}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 57   and name HB2 ))
      3.600     0.600     0.600 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.15219E-02 ppm1      6.677 ppm2      3.348 CV     1
 ASSI { 1164}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 57   and name HB2 ))
      4.400     1.000     1.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.61706E-03 ppm1      6.597 ppm2      3.352 CV     1
 ASSI { 1166}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     0.700     0.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.60768E-03 ppm1      6.573 ppm2      3.884 CV     1
 ASSI { 1168}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.900     0.800     0.800 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.54480E-03 ppm1      6.728 ppm2      4.483 CV     1
 ASSI { 1170}
   (( segid "    " and resid 42   and name HZ3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     0.700     0.700 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.52078E-03 ppm1      6.729 ppm2      4.846 CV     1
 ASSI { 1171}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 57   and name HA  ))
      2.300     0.300     0.300 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.60637E-02 ppm1      6.678 ppm2      4.750 CV     1
 ASSI { 1173}
   (( segid "    " and resid 41   and name HZ3 ))
   (( segid "    " and resid 53   and name HA  ))
      2.700     0.400     0.400 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.33989E-02 ppm1      6.573 ppm2      4.788 CV     1
 ASSI { 1174}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.300     0.300 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.37215E-02 ppm1      5.549 ppm2      4.587 CV     1
 ASSI { 1175}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      2.600     0.300     0.300 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.30911E-02 ppm1      5.415 ppm2      4.610 CV     1
 ASSI { 1176}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.400     0.400 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.30170E-02 ppm1      5.221 ppm2      4.481 CV     1
 ASSI { 1177}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.400     0.400 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.30911E-02 ppm1      5.383 ppm2      4.388 CV     1
 ASSI { 1178}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 43   and name HA  ))
      2.300     2.300     3.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.58283E-02 ppm1      5.550 ppm2      4.237 CV     1
 ASSI { 1179}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     0.500     0.500 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1      5.567 ppm2      3.983 CV     1
 ASSI { 1181}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
      2.700     0.400     0.400 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.23751E-02 ppm1      5.414 ppm2      2.234 CV     1
 ASSI { 1183}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.700     1.100     1.100 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.17562E-03 ppm1      5.383 ppm2      1.422 CV     1
 ASSI { 1184}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 12   and name HG  ))
      3.400     3.400     2.600 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.29034E-02 ppm1      5.550 ppm2      1.323 CV     1
 ASSI { 1186}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 30   and name HG2%)
      3.400     0.600     0.600 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.14568E-02 ppm1      5.416 ppm2      0.901 CV     1
 ASSI { 1187}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      2.400     0.300     0.300 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.58809E-02 ppm1      5.386 ppm2      0.828 CV     1
 ASSI { 1188}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.300     0.300     0.300 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.74019E-02 ppm1      5.549 ppm2      0.774 CV     1
 ASSI { 1190}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      3.200     0.500     0.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.20756E-02 ppm1      5.385 ppm2      0.692 CV     1
 ASSI { 1191}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 34   and name HD1%)
      3.200     0.500     0.500 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.17891E-02 ppm1      5.412 ppm2      0.688 CV     1
 ASSI { 1192}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      2.900     2.900     3.100 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.17430E-02 ppm1      5.544 ppm2      0.608 CV     1
 ASSI { 1193}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     0.600     0.600 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.12675E-02 ppm1      3.879 ppm2      9.571 CV     1
 ASSI { 1195}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.300     0.300 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.63928E-02 ppm1      4.495 ppm2      9.457 CV     1
 ASSI { 1201}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.900     0.400     0.400 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.21479E-02 ppm1      3.986 ppm2      9.169 CV     1
 ASSI { 1205}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.700     0.400     0.400 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.39601E-02 ppm1      4.509 ppm2      8.720 CV     1
 ASSI { 1208}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.300     0.300 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.43518E-02 ppm1      3.898 ppm2      8.718 CV     1
 ASSI { 1215}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.400     0.400 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.38745E-02 ppm1      4.262 ppm2      8.516 CV     1
 ASSI { 1216}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.300     0.300 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.45197E-02 ppm1      4.290 ppm2      8.432 CV     1
 ASSI { 1223}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.300     0.300 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.45313E-02 ppm1      4.290 ppm2      8.222 CV     1
 ASSI { 1225}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.300     0.300 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.50300E-02 ppm1      4.002 ppm2      8.205 CV     1
 ASSI { 1226}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     0.400     0.400 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.21743E-02 ppm1      3.983 ppm2      8.203 CV     1
 ASSI { 1227}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.300     0.300 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.31816E-02 ppm1      4.159 ppm2      8.088 CV     1
 ASSI { 1228}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.300     0.300 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.66842E-02 ppm1      3.959 ppm2      8.026 CV     1
 OR { 1228}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
 ASSI { 1230}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HD21))
      2.600     0.300     0.300 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.23965E-02 ppm1      3.898 ppm2      7.967 CV     1
 ASSI { 1234}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HD22))
      4.000     0.800     0.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.11713E-02 ppm1      3.900 ppm2      7.531 CV     1
 ASSI { 1238}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      2.600     0.300     0.300 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.29413E-02 ppm1      4.159 ppm2      6.892 CV     1
 ASSI { 1242}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 41   and name HA  ))
      2.600     0.300     0.300 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.40737E-02 ppm1      3.879 ppm2      5.208 CV     1
 ASSI { 1243}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      3.100     0.500     0.500 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.16591E-02 ppm1      4.000 ppm2      5.034 CV     1
 ASSI { 1244}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.700     0.400     0.400 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.38366E-02 ppm1      4.195 ppm2      4.895 CV     1
 ASSI { 1245}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     2.400     3.600 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.15552E-01 ppm1      3.906 ppm2      4.893 CV     1
 ASSI { 1246}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.400     0.400 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.27224E-02 ppm1      3.898 ppm2      4.829 CV     1
 ASSI { 1251}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     0.400     0.400 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.18385E-02 ppm1      4.051 ppm2      4.610 CV     1
 ASSI { 1252}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     0.700     0.700 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      4.000 ppm2      4.577 CV     1
 ASSI { 1253}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     0.700     0.700 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.93785E-03 ppm1      3.832 ppm2      4.580 CV     1
 ASSI { 1257}
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      2.200     0.300     0.300 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.10755E-01 ppm1      4.002 ppm2      4.297 CV     1
 ASSI { 1266}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.000     0.400     0.400 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.14339E-02 ppm1      3.057 ppm2      8.721 CV     1
 ASSI { 1276}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      3.300     0.500     0.500 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.36112E-02 ppm1      3.178 ppm2      7.923 CV     1
 ASSI { 1277}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.900     0.700     0.700 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.86481E-03 ppm1      3.104 ppm2      7.540 CV     1
 ASSI { 1278}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      3.900     0.800     0.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.69343E-03 ppm1      3.180 ppm2      7.482 CV     1
 ASSI { 1288}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 57   and name HE% )
      3.100     0.500     0.500 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.10442E-02 ppm1      3.188 ppm2      6.899 CV     1
 ASSI { 1289}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 57   and name HE% )
      4.300     0.900     0.900 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.56308E-03 ppm1      3.352 ppm2      6.898 CV     1
 ASSI { 1290}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      3.500     3.500     2.500 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.17578E-02 ppm1      3.108 ppm2      6.896 CV     1
 ASSI { 1293}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 13   and name HE% )
      4.100     0.900     0.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.75005E-03 ppm1      3.190 ppm2      6.600 CV     1
 ASSI { 1294}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA1 ))
      4.400     1.000     1.000 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.80206E-03 ppm1      3.309 ppm2      4.480 CV     1
 ASSI { 1295}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      4.000     0.800     0.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.63978E-03 ppm1      3.308 ppm2      4.913 CV     1
 ASSI { 1300}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HA  ))
      3.700     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.53082E-03 ppm1      3.352 ppm2      4.750 CV     1
 ASSI { 1301}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     0.400     0.400 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.43552E-02 ppm1      3.192 ppm2      4.745 CV     1
 ASSI { 1303}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.300     0.300 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.42679E-02 ppm1      3.107 ppm2      4.721 CV     1
 ASSI { 1304}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HA1 ))
      2.000     0.200     0.200 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.12127E-01 ppm1      3.532 ppm2      4.475 CV     1
 ASSI { 1305}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.700     0.400     0.400 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.33379E-02 ppm1      3.115 ppm2      4.511 CV     1
 ASSI { 1312}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HA2 ))
      3.600     3.600     2.400 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      3.310 ppm2      3.528 CV     1
 ASSI { 1314}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.63270E-03 ppm1      3.104 ppm2      9.546 CV     1
 ASSI { 1315}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.000     0.800     0.800 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.84551E-03 ppm1      3.024 ppm2      9.569 CV     1
 ASSI { 1318}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      3.500     0.600     0.600 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.84566E-03 ppm1      2.731 ppm2      9.570 CV     1
 ASSI { 1325}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     0.500     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.14479E-02 ppm1      2.834 ppm2      9.545 CV     1
 ASSI { 1330}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     0.700     0.700 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.14738E-02 ppm1      2.992 ppm2      8.866 CV     1
 ASSI { 1333}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      4.100     0.800     0.800 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.52209E-03 ppm1      2.811 ppm2      9.069 CV     1
 ASSI { 1338}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     0.400     0.400 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.17661E-02 ppm1      2.834 ppm2      8.622 CV     1
 ASSI { 1342}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HN  ))
      3.800     0.700     0.700 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.77769E-03 ppm1      2.489 ppm2      8.672 CV     1
 ASSI { 1352}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     0.500     0.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.23735E-02 ppm1      2.757 ppm2      8.314 CV     1
 ASSI { 1353}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      3.800     0.700     0.700 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.13563E-02 ppm1      2.898 ppm2      8.219 CV     1
 ASSI { 1355}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     0.500     0.500 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.11979E-02 ppm1      2.727 ppm2      8.208 CV     1
 ASSI { 1357}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     0.400     0.400 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.32277E-02 ppm1      2.982 ppm2      8.079 CV     1
 OR { 1357}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1366}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 42   and name HD1 ))
      3.200     0.500     0.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.84950E-03 ppm1      2.807 ppm2      7.671 CV     1
 ASSI { 1372}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 42   and name HZ2 ))
      3.300     0.500     0.500 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.97804E-03 ppm1      2.900 ppm2      7.557 CV     1
 ASSI { 1375}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 38   and name HD22))
      4.900     1.200     1.100 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.53987E-03 ppm1      2.757 ppm2      7.532 CV     1
 ASSI { 1379}
   (( segid "    " and resid 38   and name HB3 ))
   (  segid "    " and resid 52   and name HE% )
      3.900     0.800     0.800 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.45773E-03 ppm1      2.803 ppm2      7.390 CV     1
 ASSI { 1384}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HD22))
      3.800     0.700     0.700 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.17644E-02 ppm1      2.808 ppm2      7.212 CV     1
 ASSI { 1386}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HD22))
      4.200     0.900     0.900 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.83463E-03 ppm1      2.617 ppm2      7.208 CV     1
 ASSI { 1387}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HE3 ))
      2.300     2.300     3.700 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.78313E-02 ppm1      2.983 ppm2      7.117 CV     1
 ASSI { 1401}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 22   and name HA  ))
      3.700     3.700     2.300 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.60307E-03 ppm1      3.006 ppm2      5.479 CV     1
 ASSI { 1403}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.200     0.500     0.500 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.16076E-02 ppm1      3.023 ppm2      5.209 CV     1
 ASSI { 1404}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 41   and name HA  ))
      2.900     0.400     0.400 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.15211E-02 ppm1      2.757 ppm2      5.208 CV     1
 ASSI { 1405}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      4.400     1.000     1.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.27092E-03 ppm1      2.977 ppm2      4.912 CV     1
 ASSI { 1406}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      4.100     0.900     0.900 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.50974E-03 ppm1      2.759 ppm2      5.034 CV     1
 ASSI { 1407}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HA  ))
      3.700     0.700     0.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.10694E-02 ppm1      2.755 ppm2      4.905 CV     1
 ASSI { 1408}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HA  ))
      3.900     0.800     0.800 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.69705E-03 ppm1      2.566 ppm2      4.902 CV     1
 ASSI { 1409}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     0.400     0.400 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.36671E-02 ppm1      2.805 ppm2      4.828 CV     1
 ASSI { 1412}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     0.500     0.500 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.22253E-02 ppm1      2.883 ppm2      4.741 CV     1
 ASSI { 1413}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HA  ))
      3.100     0.500     0.500 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.20920E-02 ppm1      2.617 ppm2      4.725 CV     1
 ASSI { 1414}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HA  ))
      3.000     0.500     0.500 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.27783E-02 ppm1      2.834 ppm2      4.725 CV     1
 ASSI { 1415}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.500     0.300     0.300 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.45313E-02 ppm1      2.809 ppm2      4.725 CV     1
 ASSI { 1416}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.000     0.500     0.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.15748E-02 ppm1      2.977 ppm2      4.653 CV     1
 ASSI { 1417}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      2.800     0.400     0.400 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.28557E-02 ppm1      2.739 ppm2      4.652 CV     1
 ASSI { 1418}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     0.400     0.400 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.41050E-02 ppm1      3.004 ppm2      4.513 CV     1
 ASSI { 1420}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.900     0.400     0.400 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.29166E-02 ppm1      2.900 ppm2      4.571 CV     1
 ASSI { 1421}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     0.500     0.500 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.26763E-02 ppm1      2.888 ppm2      4.546 CV     1
 ASSI { 1422}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     0.500     0.500 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.16341E-02 ppm1      2.629 ppm2      4.575 CV     1
 ASSI { 1424}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.800     0.400     0.400 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.33116E-02 ppm1      3.056 ppm2      4.333 CV     1
 ASSI { 1425}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.400     0.400 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.29429E-02 ppm1      2.871 ppm2      4.334 CV     1
 ASSI { 1429}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
      4.600     1.000     1.000 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.38893E-03 ppm1      2.991 ppm2      3.983 CV     1
 ASSI { 1430}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.600     1.000     1.000 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.35025E-03 ppm1      3.022 ppm2      3.890 CV     1
 ASSI { 1431}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     0.600     0.600 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.78103E-03 ppm1      2.812 ppm2      3.984 CV     1
 ASSI { 1432}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      1.900     0.200     0.300 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.10590E-01 ppm1      2.807 ppm2      3.895 CV     1
 ASSI { 1437}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.900     0.200     0.300 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.11872E-01 ppm1      2.835 ppm2      3.103 CV     1
 ASSI { 1440}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HB2 ))
      1.800     0.200     0.400 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.23603E-01 ppm1      3.003 ppm2      3.108 CV     1
 ASSI { 1442}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      1.900     0.200     0.300 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.16028E-01 ppm1      2.739 ppm2      2.978 CV     1
 ASSI { 1444}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.000     0.200     0.200 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.10539E-01 ppm1      2.565 ppm2      2.758 CV     1
 ASSI { 1445}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HE2 ))
      2.000     0.200     0.200 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.86756E-02 ppm1      2.528 ppm2      2.615 CV     1
 ASSI { 1446}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HE1 ))
      4.600     1.000     1.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.20393E-03 ppm1      1.976 ppm2      9.864 CV     1
 ASSI { 1469}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     0.700     0.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.46349E-03 ppm1      1.894 ppm2      8.917 CV     1
 OR { 1469}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI { 1472}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     3.200     2.800 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.10037E-02 ppm1      2.286 ppm2      8.610 CV     1
 OR { 1472}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1477}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      3.000     3.000     3.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.15198E-02 ppm1      2.053 ppm2      8.671 CV     1
 ASSI { 1480}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      3.000     0.500     0.500 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.21002E-02 ppm1      1.965 ppm2      8.618 CV     1
 ASSI { 1483}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.100     0.500     0.500 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.19438E-02 ppm1      1.894 ppm2      8.556 CV     1
 OR { 1483}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1491}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.800     0.700     0.700 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.66167E-03 ppm1      2.016 ppm2      8.353 CV     1
 ASSI { 1493}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      4.300     0.900     0.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.46613E-03 ppm1      2.488 ppm2      8.353 CV     1
 ASSI { 1501}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.900     0.800     0.800 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.58349E-03 ppm1      2.289 ppm2      8.088 CV     1
 ASSI { 1509}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     3.600     2.400 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.99298E-03 ppm1      1.994 ppm2      7.892 CV     1
 ASSI { 1510}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.200     0.500     0.500 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.14093E-02 ppm1      2.251 ppm2      7.765 CV     1
 ASSI { 1512}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      3.900     0.800     0.800 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.55501E-03 ppm1      2.359 ppm2      7.573 CV     1
 OR { 1512}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 1531}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HE21))
      3.000     0.400     0.400 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.14825E-02 ppm1      2.244 ppm2      7.186 CV     1
 ASSI { 1541}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 57   and name HE% )
      3.700     0.700     0.700 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.12926E-02 ppm1      2.328 ppm2      6.896 CV     1
 ASSI { 1542}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      3.400     3.400     2.600 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.74396E-03 ppm1      2.273 ppm2      6.891 CV     1
 OR { 1542}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1553}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 42   and name HZ3 ))
      4.600     1.000     1.000 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.41642E-03 ppm1      1.854 ppm2      6.726 CV     1
 ASSI { 1558}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 13   and name HE% )
      4.100     0.800     0.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.77834E-03 ppm1      2.326 ppm2      6.596 CV     1
 ASSI { 1571}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 22   and name HA  ))
      3.900     0.800     0.800 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.11949E-02 ppm1      2.438 ppm2      5.478 CV     1
 ASSI { 1580}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 31   and name HA  ))
      3.800     0.700     0.700 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.12144E-02 ppm1      2.111 ppm2      5.010 CV     1
 ASSI { 1581}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 14   and name HA  ))
      3.800     0.700     0.700 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.46432E-03 ppm1      2.562 ppm2      4.653 CV     1
 ASSI { 1583}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.400     0.400 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.31767E-02 ppm1      2.147 ppm2      4.900 CV     1
 ASSI { 1584}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      4.000     4.000     2.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.10847E-02 ppm1      1.999 ppm2      4.893 CV     1
 ASSI { 1585}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.700     0.400     0.400 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.31684E-02 ppm1      1.923 ppm2      4.900 CV     1
 ASSI { 1586}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
      5.000     1.300     1.000 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.52752E-03 ppm1      1.850 ppm2      4.844 CV     1
 ASSI { 1587}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 53   and name HA  ))
      2.300     0.300     0.300 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.48999E-02 ppm1      2.227 ppm2      4.788 CV     1
 ASSI { 1590}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.400     0.400 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.26697E-02 ppm1      2.326 ppm2      4.743 CV     1
 ASSI { 1594}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.300     0.500     0.500 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.20525E-02 ppm1      2.077 ppm2      4.790 CV     1
 ASSI { 1595}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 15   and name HA  ))
      3.800     3.800     2.200 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.96288E-03 ppm1      2.076 ppm2      4.728 CV     1
 ASSI { 1599}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.500     0.300     0.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.55188E-02 ppm1      1.897 ppm2      4.696 CV     1
 OR { 1599}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1600}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      4.100     0.800     0.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.98392E-03 ppm1      2.357 ppm2      4.576 CV     1
 OR { 1600}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1601}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.500     0.600     0.600 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.10526E-02 ppm1      2.292 ppm2      4.574 CV     1
 ASSI { 1603}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.300     0.500     0.500 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.16020E-02 ppm1      2.372 ppm2      4.521 CV     1
 ASSI { 1605}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 48   and name HA  ))
      3.700     0.700     0.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.73424E-03 ppm1      2.231 ppm2      4.508 CV     1
 ASSI { 1606}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.500     3.500     2.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.41165E-03 ppm1      2.016 ppm2      4.383 CV     1
 ASSI { 1607}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     3.900     2.100 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.54777E-03 ppm1      2.177 ppm2      4.457 CV     1
 ASSI { 1609}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.900     0.400     0.400 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.25891E-02 ppm1      2.053 ppm2      4.522 CV     1
 ASSI { 1610}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     0.400     0.400 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.23998E-02 ppm1      2.059 ppm2      4.487 CV     1
 ASSI { 1611}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      4.000     0.800     0.800 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.59451E-03 ppm1      1.996 ppm2      4.193 CV     1
 ASSI { 1613}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     0.900     0.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.68208E-03 ppm1      1.923 ppm2      4.583 CV     1
 ASSI { 1614}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     3.000     3.000 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      1.852 ppm2      4.481 CV     1
 ASSI { 1615}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     0.600     0.600 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.80765E-03 ppm1      1.962 ppm2      4.459 CV     1
 ASSI { 1616}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.300     0.300 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.52620E-02 ppm1      2.048 ppm2      4.433 CV     1
 OR { 1616}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1617}
   (( segid "    " and resid 3    and name HG3 ))
   (( segid "    " and resid 3    and name HA  ))
      3.600     3.600     2.400 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.80605E-03 ppm1      2.459 ppm2      4.457 CV     1
 OR { 1617}
   (( segid "    " and resid 3    and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 1618}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      3.900     0.800     0.800 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.58135E-03 ppm1      2.106 ppm2      4.387 CV     1
 ASSI { 1625}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      4.300     0.900     0.900 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.73097E-03 ppm1      2.048 ppm2      4.159 CV     1
 OR { 1625}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 1626}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 32   and name HB  ))
      3.400     0.600     0.600 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.27059E-02 ppm1      1.964 ppm2      4.047 CV     1
 ASSI { 1627}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 32   and name HB  ))
      2.900     2.900     3.100 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.13979E-02 ppm1      1.857 ppm2      4.047 CV     1
 ASSI { 1654}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 13   and name HB2 ))
      1.900     0.200     0.300 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.11136E-01 ppm1      2.325 ppm2      3.192 CV     1
 ASSI { 1657}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 57   and name HB3 ))
      4.000     0.800     0.800 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.55254E-03 ppm1      2.070 ppm2      3.180 CV     1
 ASSI { 1658}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 29   and name HB2 ))
      3.600     0.600     0.600 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.48226E-03 ppm1      2.145 ppm2      2.897 CV     1
 ASSI { 1659}
   (( segid "    " and resid 52   and name HB3 ))
   (( segid "    " and resid 52   and name HB2 ))
      2.000     0.200     0.200 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.80583E-02 ppm1      2.438 ppm2      2.998 CV     1
 ASSI { 1661}
   (( segid "    " and resid 22   and name HG3 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.500     2.500     3.500 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.26105E-02 ppm1      2.352 ppm2      2.750 CV     1
 ASSI { 1662}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HG2 ))
      2.500     0.300     0.300 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      2.282 ppm2      2.749 CV     1
 OR { 1662}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 1666}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HB2 ))
      2.000     0.200     0.200 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.91972E-02 ppm1      2.041 ppm2      2.899 CV     1
 ASSI { 1669}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HG2 ))
      3.000     3.000     3.000 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.11833E-02 ppm1      1.924 ppm2      2.758 CV     1
 ASSI { 1671}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      2.600     0.300     0.300 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.31224E-02 ppm1      2.150 ppm2      2.564 CV     1
 ASSI { 1675}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HG3 ))
      2.300     2.300     3.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.45411E-02 ppm1      2.121 ppm2      2.478 CV     1
 ASSI { 1676}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB3 ))
      1.800     0.200     0.400 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.17578E-01 ppm1      2.000 ppm2      2.479 CV     1
 ASSI { 1683}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG3 ))
      1.900     0.200     0.300 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.13724E-01 ppm1      2.375 ppm2      2.484 CV     1
 ASSI { 1685}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HB2 ))
      2.000     0.200     0.200 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.10361E-01 ppm1      1.846 ppm2      2.058 CV     1
 ASSI { 1697}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 60   and name HN  ))
      3.500     0.600     0.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.11159E-02 ppm1      1.378 ppm2      9.246 CV     1
 ASSI { 1698}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     0.500     0.500 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.23751E-02 ppm1      1.323 ppm2      9.241 CV     1
 ASSI { 1700}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     0.800     0.800 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.11146E-02 ppm1      1.676 ppm2      9.175 CV     1
 ASSI { 1709}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      4.700     1.100     1.100 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.40309E-03 ppm1      1.561 ppm2      9.012 CV     1
 OR { 1709}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 1718}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      3.500     3.500     2.500 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.23191E-02 ppm1      1.716 ppm2      8.659 CV     1
 ASSI { 1723}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      4.000     0.800     0.800 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.52423E-03 ppm1      1.466 ppm2      8.612 CV     1
 ASSI { 1724}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     0.600     0.600 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.84537E-03 ppm1      1.421 ppm2      8.612 CV     1
 OR { 1724}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1729}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     0.800     0.800 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.91254E-03 ppm1      1.710 ppm2      8.555 CV     1
 ASSI { 1734}
   (( segid "    " and resid 60   and name HD3 ))
   (( segid "    " and resid 61   and name HN  ))
      4.200     0.900     0.900 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.86858E-03 ppm1      1.686 ppm2      8.506 CV     1
 ASSI { 1741}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
      4.200     0.900     0.900 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.75825E-03 ppm1      1.590 ppm2      8.413 CV     1
 ASSI { 1752}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 55   and name HN  ))
      4.100     0.800     0.800 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.80649E-03 ppm1      1.349 ppm2      7.735 CV     1
 ASSI { 1763}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HN  ))
      3.300     0.500     0.500 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.15195E-02 ppm1      1.356 ppm2      7.922 CV     1
 ASSI { 1767}
   (( segid "    " and resid 39   and name HG3 ))
   (  segid "    " and resid 39   and name HZ% )
      4.100     0.800     0.800 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.10919E-02 ppm1      1.456 ppm2      7.567 CV     1
 OR { 1767}
   (( segid "    " and resid 39   and name HG2 ))
   (  segid "    " and resid 39   and name HZ% )
 ASSI { 1768}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     0.400     0.400 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.22286E-02 ppm1      1.738 ppm2      7.574 CV     1
 ASSI { 1773}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 58   and name HN  ))
      4.400     1.000     1.000 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.46481E-03 ppm1      1.351 ppm2      7.482 CV     1
 ASSI { 1781}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 35   and name HD22))
      3.300     0.500     0.500 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.98377E-03 ppm1      1.322 ppm2      7.207 CV     1
 ASSI { 1783}
   (  segid "    " and resid 56   and name HB% )
   (  segid "    " and resid 57   and name HD% )
      2.600     0.300     0.300 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.36523E-02 ppm1      1.349 ppm2      6.992 CV     1
 ASSI { 1787}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 42   and name HZ3 ))
      3.900     0.800     0.800 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.50826E-03 ppm1      1.388 ppm2      6.729 CV     1
 OR { 1787}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 42   and name HZ3 ))
 ASSI { 1789}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      3.800     0.700     0.700 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.16204E-02 ppm1      1.672 ppm2      5.111 CV     1
 ASSI { 1791}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HA  ))
      4.100     0.800     0.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.40967E-03 ppm1      1.408 ppm2      5.481 CV     1
 ASSI { 1796}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     2.900     3.100 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.14647E-02 ppm1      1.636 ppm2      5.222 CV     1
 ASSI { 1797}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.700     0.700     0.700 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.72257E-03 ppm1      1.559 ppm2      5.222 CV     1
 OR { 1797}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1798}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.300     0.900     0.900 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.53147E-03 ppm1      1.388 ppm2      5.222 CV     1
 OR { 1798}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1799}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HA  ))
      4.000     0.800     0.800 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.40046E-03 ppm1      1.342 ppm2      5.214 CV     1
 OR { 1799}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1800}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.400     0.400 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.18369E-02 ppm1      1.716 ppm2      5.112 CV     1
 ASSI { 1801}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     0.500     0.500 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.23784E-02 ppm1      1.393 ppm2      5.111 CV     1
 ASSI { 1802}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     0.600     0.600 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.10406E-02 ppm1      1.239 ppm2      5.112 CV     1
 ASSI { 1803}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.300     0.300 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.48243E-02 ppm1      1.349 ppm2      5.035 CV     1
 ASSI { 1804}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     0.400     0.400 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.19636E-02 ppm1      1.468 ppm2      5.009 CV     1
 ASSI { 1805}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HA  ))
      3.200     0.500     0.500 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.24755E-02 ppm1      1.584 ppm2      5.009 CV     1
 ASSI { 1806}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     0.400     0.400 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.33561E-02 ppm1      1.628 ppm2      5.010 CV     1
 ASSI { 1807}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 30   and name HA  ))
      3.400     3.400     2.600 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.13882E-02 ppm1      1.676 ppm2      4.979 CV     1
 ASSI { 1808}
   (( segid "    " and resid 30   and name HB  ))
   (( segid "    " and resid 30   and name HA  ))
      3.200     0.500     0.500 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      1.809 ppm2      4.978 CV     1
 ASSI { 1810}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.800     0.400     0.400 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.22845E-02 ppm1      1.751 ppm2      4.911 CV     1
 OR { 1810}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1811}
   (( segid "    " and resid 26   and name HD2 ))
   (( segid "    " and resid 26   and name HA  ))
      3.000     0.500     0.500 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      1.664 ppm2      4.910 CV     1
 OR { 1811}
   (( segid "    " and resid 26   and name HD3 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1812}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      4.900     1.200     1.100 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.43832E-03 ppm1      1.544 ppm2      4.912 CV     1
 OR { 1812}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1813}
   (( segid "    " and resid 26   and name HG3 ))
   (( segid "    " and resid 26   and name HA  ))
      3.300     3.300     2.700 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.10634E-02 ppm1      1.444 ppm2      4.910 CV     1
 OR { 1813}
   (( segid "    " and resid 26   and name HG2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1814}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      3.200     0.500     0.500 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.13457E-02 ppm1      1.346 ppm2      4.901 CV     1
 ASSI { 1815}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.400     0.400 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.28014E-02 ppm1      1.753 ppm2      4.846 CV     1
 OR { 1815}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HA  ))
 ASSI { 1817}
   (( segid "    " and resid 59   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     0.500     0.500 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.15951E-02 ppm1      1.457 ppm2      4.844 CV     1
 ASSI { 1818}
   (( segid "    " and resid 59   and name HG3 ))
   (( segid "    " and resid 59   and name HA  ))
      3.300     0.500     0.500 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.96926E-03 ppm1      1.377 ppm2      4.846 CV     1
 ASSI { 1819}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      3.700     0.700     0.700 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.59073E-03 ppm1      1.320 ppm2      4.833 CV     1
 ASSI { 1820}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 57   and name HA  ))
      4.100     4.100     1.900 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.11923E-02 ppm1      1.345 ppm2      4.769 CV     1
 ASSI { 1823}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      3.800     3.800     2.200 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.73576E-03 ppm1      1.675 ppm2      4.748 CV     1
 ASSI { 1824}
   (( segid "    " and resid 27   and name HD3 ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     0.600     0.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.86974E-03 ppm1      1.628 ppm2      4.746 CV     1
 OR { 1824}
   (( segid "    " and resid 27   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1825}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     3.100     2.900 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.10949E-02 ppm1      1.542 ppm2      4.746 CV     1
 OR { 1825}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 1827}
   (( segid "    " and resid 49   and name HG2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.200     0.500     0.500 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.12670E-02 ppm1      1.742 ppm2      4.691 CV     1
 ASSI { 1828}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     0.600     0.600 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.15871E-02 ppm1      1.670 ppm2      4.689 CV     1
 ASSI { 1830}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HA  ))
      2.700     0.400     0.400 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.41181E-02 ppm1      1.808 ppm2      4.575 CV     1
 ASSI { 1831}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 23   and name HA  ))
      2.500     0.300     0.300 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.48621E-02 ppm1      1.740 ppm2      4.579 CV     1
 ASSI { 1832}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 11   and name HA  ))
      2.300     0.300     0.300 peak  1832 spectrum    1 weight  0.10000E+01 volume  0.72785E-02 ppm1      1.672 ppm2      4.585 CV     1
 ASSI { 1833}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.300     0.300 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.52505E-02 ppm1      1.349 ppm2      4.572 CV     1
 ASSI { 1834}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 11   and name HA  ))
      4.300     4.300     1.700 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.68997E-03 ppm1      1.324 ppm2      4.588 CV     1
 ASSI { 1835}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.600     2.600     3.400 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.60965E-02 ppm1      1.421 ppm2      4.518 CV     1
 ASSI { 1836}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.200     0.200 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.11962E-01 ppm1      1.411 ppm2      4.544 CV     1
 ASSI { 1837}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.100     0.500     0.500 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.15259E-02 ppm1      1.387 ppm2      4.479 CV     1
 OR { 1837}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1838}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.000     0.400     0.400 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.10929E-02 ppm1      1.756 ppm2      4.481 CV     1
 ASSI { 1839}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HA  ))
      3.600     0.600     0.600 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.22500E-02 ppm1      1.692 ppm2      4.434 CV     1
 OR { 1839}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI { 1840}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name HA  ))
      2.900     0.400     0.400 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.19159E-02 ppm1      1.639 ppm2      4.459 CV     1
 ASSI { 1841}
   (( segid "    " and resid 8    and name HG  ))
   (( segid "    " and resid 7    and name HA  ))
      3.600     0.600     0.600 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.10404E-02 ppm1      1.677 ppm2      4.515 CV     1
 ASSI { 1842}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.300     0.300 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.44276E-02 ppm1      1.558 ppm2      4.460 CV     1
 OR { 1842}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1843}
   (( segid "    " and resid 18   and name HG3 ))
   (( segid "    " and resid 18   and name HA  ))
      3.600     0.600     0.600 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.10797E-02 ppm1      1.504 ppm2      4.433 CV     1
 ASSI { 1844}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.100     3.100     2.900 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.14311E-02 ppm1      1.683 ppm2      4.379 CV     1
 ASSI { 1845}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.900     2.900     3.100 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.27734E-02 ppm1      1.810 ppm2      4.383 CV     1
 ASSI { 1846}
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      3.700     0.700     0.700 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.10557E-02 ppm1      1.422 ppm2      4.386 CV     1
 OR { 1846}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1847}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.800     0.700     0.700 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.78313E-03 ppm1      1.333 ppm2      4.379 CV     1
 ASSI { 1848}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.600     0.600     0.600 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.81671E-03 ppm1      1.403 ppm2      4.381 CV     1
 ASSI { 1851}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HA  ))
      4.600     1.100     1.100 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.41296E-03 ppm1      1.713 ppm2      4.262 CV     1
 OR { 1851}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HA  ))
 ASSI { 1852}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     3.200     2.800 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.71779E-03 ppm1      1.469 ppm2      4.236 CV     1
 ASSI { 1855}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 56   and name HA  ))
      2.200     0.300     0.300 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.11202E-01 ppm1      1.354 ppm2      4.117 CV     1
 ASSI { 1857}
   (( segid "    " and resid 12   and name HG  ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     3.200     2.800 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.10215E-02 ppm1      1.325 ppm2      3.827 CV     1
 ASSI { 1858}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HA  ))
      2.600     0.300     0.300 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.27602E-02 ppm1      1.341 ppm2      3.879 CV     1
 ASSI { 1861}
   (( segid "    " and resid 23   and name HB  ))
   (( segid "    " and resid 51   and name HA1 ))
      5.100     1.300     0.900 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.57525E-03 ppm1      1.738 ppm2      3.916 CV     1
 ASSI { 1865}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 28   and name HA2 ))
      4.500     1.000     1.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.54118E-03 ppm1      1.674 ppm2      3.541 CV     1
 ASSI { 1874}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 29   and name HB2 ))
      2.700     0.400     0.400 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.27734E-02 ppm1      1.672 ppm2      2.895 CV     1
 ASSI { 1876}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB2 ))
      4.000     0.800     0.800 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.50959E-03 ppm1      1.552 ppm2      2.977 CV     1
 OR { 1876}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR { 1876}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 62   and name HB3 ))
 OR { 1876}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI { 1878}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE3 ))
      3.200     3.200     2.800 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.12334E-02 ppm1      1.456 ppm2      3.031 CV     1
 OR { 1878}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE2 ))
 OR { 1878}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE2 ))
 OR { 1878}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE3 ))
 ASSI { 1879}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 59   and name HE3 ))
      3.700     3.700     2.300 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.10013E-02 ppm1      1.385 ppm2      2.958 CV     1
 OR { 1879}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 59   and name HE3 ))
 OR { 1879}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 59   and name HE2 ))
 OR { 1879}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 59   and name HE2 ))
 ASSI { 1884}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 25   and name HG2 ))
      3.800     0.700     0.700 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.95033E-03 ppm1      1.674 ppm2      2.750 CV     1
 ASSI { 1887}
   (  segid "    " and resid 37   and name HG2%)
   (( segid "    " and resid 38   and name HB3 ))
      4.300     4.300     1.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.64800E-03 ppm1      1.316 ppm2      2.801 CV     1
 ASSI { 1889}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 29   and name HB3 ))
      3.700     0.700     0.700 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.15362E-02 ppm1      1.674 ppm2      2.629 CV     1
 ASSI { 1890}
   (  segid "    " and resid 11   and name HB% )
   (( segid "    " and resid 25   and name HG3 ))
      3.000     0.400     0.400 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.14804E-02 ppm1      1.672 ppm2      2.566 CV     1
 ASSI { 1894}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HE2 ))
      3.000     3.000     3.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.15931E-02 ppm1      1.304 ppm2      2.618 CV     1
 OR { 1894}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 43   and name HE2 ))
 ASSI { 1895}
   (( segid "    " and resid 43   and name HD3 ))
   (( segid "    " and resid 43   and name HE3 ))
      3.200     3.200     2.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.10638E-02 ppm1      1.304 ppm2      2.528 CV     1
 OR { 1895}
   (( segid "    " and resid 43   and name HD2 ))
   (( segid "    " and resid 43   and name HE3 ))
 ASSI { 1896}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 43   and name HE3 ))
      3.600     3.600     2.400 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.54464E-03 ppm1      1.708 ppm2      2.523 CV     1
 ASSI { 1898}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.700     0.400     0.400 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.28919E-02 ppm1      1.791 ppm2      2.355 CV     1
 OR { 1898}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1899}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.900     0.200     0.300 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.11018E-01 ppm1      1.790 ppm2      2.242 CV     1
 ASSI { 1902}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 16   and name HG2 ))
      4.100     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.59731E-03 ppm1      1.345 ppm2      2.298 CV     1
 ASSI { 1903}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 16   and name HG3 ))
      3.300     3.300     2.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.12482E-02 ppm1      1.346 ppm2      2.235 CV     1
 ASSI { 1904}
   (  segid "    " and resid 11   and name HB% )
   (  segid "    " and resid 25   and name HE% )
      3.100     0.500     0.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.14520E-02 ppm1      1.672 ppm2      2.147 CV     1
 ASSI { 1905}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 44   and name HB  ))
      3.600     0.600     0.600 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.28409E-02 ppm1      1.629 ppm2      2.108 CV     1
 ASSI { 1907}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 44   and name HB  ))
      2.800     2.800     3.200 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.14717E-02 ppm1      1.469 ppm2      2.108 CV     1
 ASSI { 1909}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.000     3.000     3.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.31207E-02 ppm1      1.757 ppm2      2.056 CV     1
 ASSI { 1910}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.600     0.300     0.300 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.44572E-02 ppm1      1.688 ppm2      2.050 CV     1
 OR { 1910}
   (( segid "    " and resid 18   and name HD2 ))
   (( segid "    " and resid 18   and name HB2 ))
 OR { 1910}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HB3 ))
 OR { 1910}
   (( segid "    " and resid 18   and name HD3 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1911}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB3 ))
      2.800     0.400     0.400 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.26121E-02 ppm1      1.630 ppm2      2.047 CV     1
 OR { 1911}
   (( segid "    " and resid 18   and name HG2 ))
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1913}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB2 ))
      3.100     3.100     2.900 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.12845E-02 ppm1      1.389 ppm2      2.053 CV     1
 OR { 1913}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 1916}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 40   and name HB3 ))
      3.200     3.200     2.800 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.76753E-03 ppm1      1.354 ppm2      1.989 CV     1
 ASSI { 1917}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.400     0.300     0.300 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.50514E-02 ppm1      1.672 ppm2      1.895 CV     1
 OR { 1917}
   (( segid "    " and resid 49   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 1918}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HB3 ))
      4.100     0.800     0.800 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.58661E-03 ppm1      1.349 ppm2      1.918 CV     1
 ASSI { 1920}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.800     0.200     0.400 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.12372E-01 ppm1      1.467 ppm2      1.628 CV     1
 ASSI { 1921}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 60   and name HB3 ))
      3.300     3.300     2.700 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      1.392 ppm2      1.852 CV     1
 OR { 1921}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HB3 ))
 ASSI { 1924}
   (( segid "    " and resid 6    and name HG3 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     2.900     3.100 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      1.331 ppm2      1.800 CV     1
 ASSI { 1925}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG  ))
      2.200     0.200     0.200 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.12017E-01 ppm1      1.338 ppm2      1.678 CV     1
 OR { 1925}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HG  ))
 ASSI { 1928}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     0.300     0.300 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.30976E-02 ppm1      1.237 ppm2      1.392 CV     1
 ASSI { 1932}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      3.700     0.700     0.700 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.67632E-03 ppm1      1.143 ppm2      9.366 CV     1
 ASSI { 1933}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      3.100     0.500     0.500 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.18698E-02 ppm1      0.815 ppm2      9.348 CV     1
 ASSI { 1934}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     0.600     0.600 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.70413E-03 ppm1      0.971 ppm2      9.369 CV     1
 ASSI { 1935}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.400     0.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.37445E-02 ppm1      0.906 ppm2      9.351 CV     1
 ASSI { 1936}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      3.100     3.100     2.900 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.90855E-03 ppm1      0.868 ppm2      9.351 CV     1
 ASSI { 1943}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 9    and name HN  ))
      3.200     0.500     0.500 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.15347E-02 ppm1      1.050 ppm2      9.175 CV     1
 ASSI { 1944}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 12   and name HN  ))
      3.700     3.700     2.300 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.91036E-03 ppm1      0.818 ppm2      9.243 CV     1
 ASSI { 1949}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 9    and name HN  ))
      4.200     0.900     0.900 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.85378E-03 ppm1      0.847 ppm2      9.173 CV     1
 ASSI { 1957}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      3.300     0.500     0.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.20591E-02 ppm1      0.829 ppm2      9.071 CV     1
 ASSI { 1959}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      3.600     0.600     0.600 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.10800E-02 ppm1      0.733 ppm2      9.066 CV     1
 ASSI { 1962}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      3.500     0.600     0.600 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.83956E-03 ppm1      1.140 ppm2      8.671 CV     1
 ASSI { 1963}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      3.700     0.700     0.700 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.84486E-03 ppm1      0.886 ppm2      9.013 CV     1
 ASSI { 1977}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      3.800     0.700     0.700 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.63122E-03 ppm1      1.049 ppm2      8.660 CV     1
 ASSI { 1979}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.600     0.700     0.700 peak  1979 spectrum    1 weight  0.10000E+01 volume  0.49625E-03 ppm1      0.962 ppm2      8.607 CV     1
 ASSI { 1983}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.200     0.500     0.500 peak  1983 spectrum    1 weight  0.10000E+01 volume  0.18105E-02 ppm1      0.772 ppm2      8.659 CV     1
 ASSI { 1986}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 45   and name HN  ))
      3.900     0.800     0.800 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.59007E-03 ppm1      0.733 ppm2      8.610 CV     1
 ASSI { 1992}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 61   and name HN  ))
      3.300     0.500     0.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.19570E-02 ppm1      1.051 ppm2      8.506 CV     1
 ASSI { 1996}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      4.500     1.000     1.000 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.57493E-03 ppm1      0.917 ppm2      8.422 CV     1
 ASSI { 2001}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HN  ))
      3.900     0.700     0.700 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.10906E-02 ppm1      0.845 ppm2      8.354 CV     1
 ASSI { 2016}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
      4.600     1.100     1.100 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.47485E-03 ppm1      0.733 ppm2      7.567 CV     1
 ASSI { 2017}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 24   and name HN  ))
      3.000     0.400     0.400 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.43156E-02 ppm1      0.696 ppm2      7.570 CV     1
 ASSI { 2019}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 23   and name HN  ))
      3.000     0.400     0.400 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.16690E-02 ppm1      1.146 ppm2      7.478 CV     1
 ASSI { 2023}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 58   and name HN  ))
      3.700     0.700     0.700 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.67006E-03 ppm1      0.655 ppm2      7.484 CV     1
 ASSI { 2030}
   (( segid "    " and resid 43   and name HG2 ))
   (  segid "    " and resid 52   and name HD% )
      4.500     1.000     1.000 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.39173E-03 ppm1      0.962 ppm2      7.223 CV     1
 ASSI { 2033}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 15   and name HD% )
      4.400     1.000     1.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.37939E-03 ppm1      0.603 ppm2      7.229 CV     1
 ASSI { 2035}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 42   and name HE3 ))
      4.100     0.800     0.800 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.42482E-03 ppm1      1.137 ppm2      7.109 CV     1
 ASSI { 2036}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 42   and name HE3 ))
      2.700     0.400     0.400 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.30894E-02 ppm1      1.049 ppm2      7.109 CV     1
 ASSI { 2037}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 42   and name HE3 ))
      2.300     0.300     0.300 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.69541E-02 ppm1      0.824 ppm2      7.115 CV     1
 ASSI { 2052}
   (  segid "    " and resid 12   and name HD2%)
   (  segid "    " and resid 13   and name HD% )
      3.900     0.700     0.700 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.76964E-03 ppm1      0.655 ppm2      6.678 CV     1
 ASSI { 2057}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     0.700     0.700 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.51436E-03 ppm1      1.146 ppm2      5.550 CV     1
 ASSI { 2058}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      4.400     1.000     1.000 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.46037E-03 ppm1      1.055 ppm2      5.549 CV     1
 ASSI { 2060}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 50   and name HA  ))
      4.300     0.900     0.900 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.44391E-03 ppm1      0.960 ppm2      5.539 CV     1
 ASSI { 2063}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 52   and name HA  ))
      3.600     0.600     0.600 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.13991E-02 ppm1      0.694 ppm2      5.549 CV     1
 ASSI { 2064}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 50   and name HA  ))
      3.100     0.500     0.500 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.13375E-02 ppm1      0.684 ppm2      5.539 CV     1
 ASSI { 2065}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
      3.900     0.700     0.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      0.653 ppm2      5.547 CV     1
 ASSI { 2067}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
      5.500     5.500     0.500 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.84109E-04 ppm1      0.691 ppm2      5.481 CV     1
 ASSI { 2068}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      4.400     1.000     1.000 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.38614E-03 ppm1      0.603 ppm2      5.477 CV     1
 ASSI { 2069}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     0.800     0.800 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.15343E-02 ppm1      1.140 ppm2      5.389 CV     1
 ASSI { 2070}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 8    and name HA  ))
      3.700     0.700     0.700 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.63500E-03 ppm1      1.049 ppm2      5.413 CV     1
 ASSI { 2071}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 45   and name HA  ))
      4.700     1.100     1.100 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.36836E-03 ppm1      1.027 ppm2      5.407 CV     1
 ASSI { 2072}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 45   and name HA  ))
      4.200     0.900     0.900 peak  2072 spectrum    1 weight  0.10000E+01 volume  0.69607E-03 ppm1      0.960 ppm2      5.409 CV     1
 ASSI { 2077}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 44   and name HA  ))
      4.200     0.900     0.900 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.88700E-03 ppm1      0.735 ppm2      5.389 CV     1
 ASSI { 2080}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      3.600     0.700     0.700 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.74476E-03 ppm1      0.886 ppm2      5.224 CV     1
 ASSI { 2082}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      4.400     4.400     1.600 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.47205E-03 ppm1      0.773 ppm2      5.220 CV     1
 ASSI { 2083}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 10   and name HA  ))
      4.000     0.800     0.800 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.40786E-03 ppm1      1.140 ppm2      5.111 CV     1
 OR { 2083}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 2084}
   (( segid "    " and resid 30   and name HG12))
   (( segid "    " and resid 30   and name HA  ))
      3.000     0.500     0.500 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.14012E-02 ppm1      1.138 ppm2      4.979 CV     1
 OR { 2084}
   (( segid "    " and resid 30   and name HG13))
   (( segid "    " and resid 30   and name HA  ))
 ASSI { 2085}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.300     0.600     0.600 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.12634E-02 ppm1      0.892 ppm2      5.112 CV     1
 ASSI { 2087}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HA  ))
      3.200     3.200     2.800 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.14210E-02 ppm1      0.818 ppm2      5.112 CV     1
 ASSI { 2088}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      4.100     0.900     0.900 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.73242E-03 ppm1      1.029 ppm2      5.010 CV     1
 ASSI { 2089}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      3.500     3.500     2.500 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.39025E-03 ppm1      0.960 ppm2      5.009 CV     1
 ASSI { 2090}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      2.500     0.300     0.300 peak  2090 spectrum    1 weight  0.10000E+01 volume  0.57394E-02 ppm1      0.901 ppm2      4.981 CV     1
 ASSI { 2091}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 30   and name HA  ))
      2.600     2.600     3.400 peak  2091 spectrum    1 weight  0.10000E+01 volume  0.23010E-02 ppm1      0.868 ppm2      4.979 CV     1
 ASSI { 2092}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 30   and name HA  ))
      4.200     0.900     0.900 peak  2092 spectrum    1 weight  0.10000E+01 volume  0.83579E-03 ppm1      0.816 ppm2      4.992 CV     1
 ASSI { 2093}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      4.500     1.000     1.000 peak  2093 spectrum    1 weight  0.10000E+01 volume  0.53970E-03 ppm1      0.777 ppm2      5.002 CV     1
 ASSI { 2094}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 25   and name HA  ))
      3.600     0.700     0.700 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.56077E-03 ppm1      1.028 ppm2      4.902 CV     1
 ASSI { 2095}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
      3.400     0.600     0.600 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.90775E-03 ppm1      0.962 ppm2      4.900 CV     1
 ASSI { 2096}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.900     0.800     0.800 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.10261E-02 ppm1      1.140 ppm2      4.747 CV     1
 OR { 2096}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2097}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HA  ))
      4.500     1.000     1.000 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.31256E-03 ppm1      0.908 ppm2      4.903 CV     1
 ASSI { 2098}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      4.100     0.800     0.800 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.38680E-03 ppm1      1.047 ppm2      4.847 CV     1
 ASSI { 2099}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      3.400     0.600     0.600 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.79285E-03 ppm1      0.822 ppm2      4.846 CV     1
 ASSI { 2100}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 59   and name HA  ))
      4.000     0.800     0.800 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.78248E-03 ppm1      0.653 ppm2      4.846 CV     1
 ASSI { 2101}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 59   and name HA  ))
      4.400     0.900     0.900 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.37511E-03 ppm1      0.610 ppm2      4.846 CV     1
 ASSI { 2102}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.300     0.300 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.35667E-02 ppm1      1.146 ppm2      4.788 CV     1
 ASSI { 2105}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 53   and name HA  ))
      3.300     0.600     0.600 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.15896E-02 ppm1      0.696 ppm2      4.787 CV     1
 ASSI { 2106}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 57   and name HA  ))
      4.000     4.000     2.000 peak  2106 spectrum    1 weight  0.10000E+01 volume  0.45362E-03 ppm1      0.651 ppm2      4.770 CV     1
 ASSI { 2107}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 53   and name HA  ))
      4.500     1.000     1.000 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.70232E-03 ppm1      0.598 ppm2      4.782 CV     1
 ASSI { 2108}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.300     0.300 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.53542E-02 ppm1      1.140 ppm2      4.609 CV     1
 ASSI { 2109}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 11   and name HA  ))
      4.300     4.300     1.700 peak  2109 spectrum    1 weight  0.10000E+01 volume  0.50448E-03 ppm1      1.050 ppm2      4.588 CV     1
 ASSI { 2110}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 29   and name HA  ))
      3.700     0.700     0.700 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.71647E-03 ppm1      0.903 ppm2      4.578 CV     1
 ASSI { 2111}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.000     4.000     2.000 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.82810E-03 ppm1      0.852 ppm2      4.592 CV     1
 ASSI { 2113}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 32   and name HA  ))
      2.200     0.300     0.300 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.86328E-02 ppm1      0.773 ppm2      4.597 CV     1
 ASSI { 2114}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.400     0.400 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.27520E-02 ppm1      0.692 ppm2      4.584 CV     1
 ASSI { 2115}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HA  ))
      3.000     0.400     0.400 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.30582E-02 ppm1      0.604 ppm2      4.582 CV     1
 ASSI { 2116}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HA  ))
      4.300     0.900     0.900 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.78857E-03 ppm1      0.692 ppm2      4.517 CV     1
 ASSI { 2117}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HA  ))
      2.300     0.300     0.300 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.92320E-02 ppm1      0.734 ppm2      4.518 CV     1
 ASSI { 2118}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      4.000     0.800     0.800 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.71368E-03 ppm1      0.773 ppm2      4.517 CV     1
 ASSI { 2119}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.400     0.400 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.25973E-02 ppm1      1.138 ppm2      4.518 CV     1
 ASSI { 2120}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.200     0.200 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.75629E-02 ppm1      1.053 ppm2      4.484 CV     1
 ASSI { 2122}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HA  ))
      2.900     0.400     0.400 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.31125E-02 ppm1      0.960 ppm2      4.492 CV     1
 ASSI { 2123}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 28   and name HA1 ))
      2.700     2.700     3.300 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.19110E-02 ppm1      0.897 ppm2      4.473 CV     1
 ASSI { 2124}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HA  ))
      4.100     0.800     0.800 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.85821E-03 ppm1      0.825 ppm2      4.478 CV     1
 ASSI { 2125}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.400     0.400 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.32046E-02 ppm1      0.876 ppm2      4.462 CV     1
 OR { 2125}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 2126}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HA  ))
      2.400     0.300     0.300 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.44046E-02 ppm1      1.141 ppm2      4.387 CV     1
 ASSI { 2127}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      4.100     0.800     0.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.77638E-03 ppm1      1.050 ppm2      4.389 CV     1
 ASSI { 2128}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HA  ))
      2.400     2.400     3.600 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.46218E-02 ppm1      0.829 ppm2      4.388 CV     1
 ASSI { 2129}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      4.600     1.000     1.000 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.66035E-03 ppm1      0.779 ppm2      4.385 CV     1
 ASSI { 2130}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      3.900     0.800     0.800 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.65541E-03 ppm1      0.733 ppm2      4.388 CV     1
 ASSI { 2131}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HA  ))
      2.200     0.300     0.300 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.63270E-02 ppm1      0.699 ppm2      4.388 CV     1
 ASSI { 2132}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HA  ))
      4.400     0.900     0.900 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.58891E-03 ppm1      1.028 ppm2      4.333 CV     1
 ASSI { 2135}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 43   and name HA  ))
      3.700     0.700     0.700 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.56834E-03 ppm1      0.831 ppm2      4.239 CV     1
 ASSI { 2136}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.800     0.700     0.700 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.10957E-02 ppm1      0.777 ppm2      4.236 CV     1
 ASSI { 2137}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 43   and name HA  ))
      3.500     3.500     2.500 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.39716E-03 ppm1      0.689 ppm2      4.236 CV     1
 ASSI { 2138}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 32   and name HB  ))
      2.300     0.300     0.300 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.73786E-02 ppm1      1.140 ppm2      4.047 CV     1
 ASSI { 2139}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 51   and name HA2 ))
      3.300     3.300     2.700 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.62925E-03 ppm1      1.141 ppm2      3.962 CV     1
 ASSI { 2140}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 32   and name HB  ))
      4.600     1.000     1.000 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.35733E-03 ppm1      0.777 ppm2      4.050 CV     1
 ASSI { 2141}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 32   and name HB  ))
      3.500     0.600     0.600 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.77986E-03 ppm1      0.734 ppm2      4.047 CV     1
 ASSI { 2142}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 36   and name HA  ))
      3.300     0.500     0.500 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.18319E-02 ppm1      0.696 ppm2      3.980 CV     1
 ASSI { 2143}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 51   and name HA1 ))
      4.900     4.900     1.100 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.55419E-03 ppm1      0.692 ppm2      3.910 CV     1
 ASSI { 2148}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     0.500     0.500 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      1.065 ppm2      3.823 CV     1
 ASSI { 2149}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      3.800     0.700     0.700 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.50662E-03 ppm1      0.814 ppm2      3.825 CV     1
 ASSI { 2150}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HA  ))
      3.800     0.700     0.700 peak  2150 spectrum    1 weight  0.10000E+01 volume  0.12437E-02 ppm1      0.654 ppm2      3.825 CV     1
 ASSI { 2151}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HA  ))
      2.400     0.300     0.300 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.92175E-02 ppm1      0.610 ppm2      3.825 CV     1
 ASSI { 2152}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 28   and name HA2 ))
      3.500     0.600     0.600 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.37445E-02 ppm1      0.852 ppm2      3.532 CV     1
 ASSI { 2153}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 28   and name HA2 ))
      4.900     1.200     1.100 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.36194E-03 ppm1      0.815 ppm2      3.534 CV     1
 ASSI { 2155}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HB2 ))
      3.600     0.700     0.700 peak  2155 spectrum    1 weight  0.10000E+01 volume  0.62381E-03 ppm1      0.772 ppm2      3.354 CV     1
 ASSI { 2157}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 49   and name HD2 ))
      4.100     4.100     1.900 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.60455E-03 ppm1      0.604 ppm2      3.309 CV     1
 OR { 2157}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 49   and name HD3 ))
 ASSI { 2159}
   (  segid "    " and resid 56   and name HB% )
   (( segid "    " and resid 57   and name HB3 ))
      5.300     1.400     0.700 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.40012E-03 ppm1      1.351 ppm2      3.187 CV     1
 ASSI { 2161}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 57   and name HB3 ))
      3.500     0.600     0.600 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.64208E-03 ppm1      0.773 ppm2      3.180 CV     1
 ASSI { 2162}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HB2 ))
      4.500     1.000     1.000 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.37758E-03 ppm1      1.027 ppm2      3.049 CV     1
 ASSI { 2163}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      4.500     4.500     1.500 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.35766E-03 ppm1      0.960 ppm2      3.053 CV     1
 ASSI { 2165}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 59   and name HE3 ))
      3.600     0.700     0.700 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.11497E-02 ppm1      0.885 ppm2      2.960 CV     1
 OR { 2165}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 59   and name HE2 ))
 ASSI { 2167}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 59   and name HE2 ))
      3.200     0.500     0.500 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.12768E-02 ppm1      0.813 ppm2      2.957 CV     1
 OR { 2167}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 59   and name HE3 ))
 ASSI { 2169}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 42   and name HB2 ))
      3.200     0.500     0.500 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.45707E-02 ppm1      0.699 ppm2      2.990 CV     1
 ASSI { 2170}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 59   and name HE2 ))
      4.000     0.800     0.800 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.82629E-03 ppm1      0.608 ppm2      2.958 CV     1
 OR { 2170}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 59   and name HE3 ))
 ASSI { 2171}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 36   and name HB2 ))
      3.900     0.800     0.800 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      0.700 ppm2      2.900 CV     1
 ASSI { 2172}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 29   and name HB2 ))
      4.500     1.000     1.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.39519E-03 ppm1      0.894 ppm2      2.894 CV     1
 ASSI { 2173}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 25   and name HG2 ))
      4.200     0.900     0.900 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.29100E-03 ppm1      0.893 ppm2      2.759 CV     1
 ASSI { 2174}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 47   and name HB3 ))
      3.800     0.700     0.700 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.89440E-03 ppm1      1.029 ppm2      2.879 CV     1
 ASSI { 2175}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 47   and name HB3 ))
      4.000     4.000     2.000 peak  2175 spectrum    1 weight  0.10000E+01 volume  0.83122E-03 ppm1      0.963 ppm2      2.874 CV     1
 ASSI { 2176}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 15   and name HB3 ))
      3.800     0.700     0.700 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.56094E-03 ppm1      1.145 ppm2      2.823 CV     1
 ASSI { 2179}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.500     1.000     1.000 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.42054E-03 ppm1      0.964 ppm2      2.806 CV     1
 ASSI { 2182}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 55   and name HA  ))
      3.400     0.600     0.600 peak  2182 spectrum    1 weight  0.10000E+01 volume  0.96433E-03 ppm1      0.698 ppm2      2.728 CV     1
 ASSI { 2184}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 55   and name HA  ))
      2.600     2.600     3.400 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.41264E-02 ppm1      0.824 ppm2      2.725 CV     1
 ASSI { 2185}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 29   and name HB3 ))
      3.200     0.500     0.500 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.10267E-02 ppm1      1.027 ppm2      2.624 CV     1
 ASSI { 2189}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
      3.400     3.400     2.600 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.76550E-03 ppm1      0.917 ppm2      2.629 CV     1
 ASSI { 2191}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HG3 ))
      3.900     0.700     0.700 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.22500E-03 ppm1      0.918 ppm2      2.564 CV     1
 ASSI { 2192}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HE3 ))
      3.800     0.700     0.700 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.52390E-03 ppm1      0.960 ppm2      2.527 CV     1
 ASSI { 2193}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HE3 ))
      3.200     0.500     0.500 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.12002E-02 ppm1      0.681 ppm2      2.527 CV     1
 ASSI { 2194}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HD3 ))
      4.400     0.900     0.900 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.42531E-03 ppm1      1.194 ppm2      2.235 CV     1
 ASSI { 2202}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 46   and name HB  ))
      2.300     0.300     0.300 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.65804E-02 ppm1      1.028 ppm2      2.118 CV     1
 ASSI { 2203}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 46   and name HB  ))
      2.200     0.300     0.300 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.84058E-02 ppm1      0.958 ppm2      2.117 CV     1
 ASSI { 2204}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 46   and name HB  ))
      3.600     3.600     2.400 peak  2204 spectrum    1 weight  0.10000E+01 volume  0.21595E-02 ppm1      0.916 ppm2      2.113 CV     1
 ASSI { 2205}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      2.300     0.300     0.300 peak  2205 spectrum    1 weight  0.10000E+01 volume  0.68948E-02 ppm1      0.827 ppm2      2.106 CV     1
 ASSI { 2206}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.300     0.300     0.300 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.65130E-02 ppm1      0.774 ppm2      2.107 CV     1
 ASSI { 2207}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 44   and name HB  ))
      4.300     0.900     0.900 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.63368E-03 ppm1      0.734 ppm2      2.102 CV     1
 ASSI { 2208}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 50   and name HG3 ))
      3.300     0.500     0.500 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.24689E-02 ppm1      0.691 ppm2      2.103 CV     1
 ASSI { 2210}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 36   and name HB3 ))
      2.500     2.500     3.500 peak  2210 spectrum    1 weight  0.10000E+01 volume  0.33050E-02 ppm1      0.699 ppm2      2.043 CV     1
 ASSI { 2215}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 54   and name HD2 ))
      3.700     0.700     0.700 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      1.143 ppm2      2.076 CV     1
 ASSI { 2217}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 25   and name HB3 ))
      3.200     0.500     0.500 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.10076E-02 ppm1      1.036 ppm2      1.925 CV     1
 ASSI { 2219}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      3.800     0.700     0.700 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.18254E-02 ppm1      1.052 ppm2      1.927 CV     1
 ASSI { 2221}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
      3.200     3.200     2.800 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.12284E-02 ppm1      0.960 ppm2      1.908 CV     1
 OR { 2221}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 2222}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HB3 ))
      3.600     0.700     0.700 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.86510E-03 ppm1      0.918 ppm2      1.922 CV     1
 ASSI { 2223}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.200     0.200     0.200 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.83797E-02 ppm1      0.820 ppm2      1.928 CV     1
 ASSI { 2224}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.300     0.300 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.65228E-02 ppm1      0.771 ppm2      1.927 CV     1
 ASSI { 2228}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 49   and name HB2 ))
      3.400     0.600     0.600 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.13372E-02 ppm1      0.606 ppm2      1.899 CV     1
 OR { 2228}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 49   and name HB3 ))
 ASSI { 2229}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 45   and name HB3 ))
      3.200     0.500     0.500 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.15494E-02 ppm1      0.734 ppm2      1.857 CV     1
 ASSI { 2230}
   (  segid "    " and resid 53   and name HG1%)
   (( segid "    " and resid 53   and name HB  ))
      2.000     0.200     0.200 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.14114E-01 ppm1      1.142 ppm2      1.812 CV     1
 ASSI { 2231}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 33   and name HB3 ))
      3.400     0.600     0.600 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.20114E-02 ppm1      1.051 ppm2      1.820 CV     1
 OR { 2231}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2232}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 30   and name HB  ))
      2.300     0.300     0.300 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.86430E-02 ppm1      0.901 ppm2      1.810 CV     1
 ASSI { 2233}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HB2 ))
      3.000     3.000     3.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.10982E-02 ppm1      0.822 ppm2      1.812 CV     1
 OR { 2233}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HB3 ))
 ASSI { 2238}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HD3 ))
      2.200     0.200     0.200 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.11856E-01 ppm1      1.138 ppm2      1.680 CV     1
 OR { 2238}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 6    and name HD2 ))
 ASSI { 2239}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HD2 ))
      2.500     2.500     3.500 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.47469E-02 ppm1      1.134 ppm2      1.623 CV     1
 OR { 2239}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HD3 ))
 OR { 2239}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HD2 ))
 OR { 2239}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HD3 ))
 ASSI { 2240}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB2 ))
      2.800     2.800     3.200 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.21973E-02 ppm1      1.132 ppm2      1.538 CV     1
 OR { 2240}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB3 ))
 OR { 2240}
   (( segid "    " and resid 27   and name HG2 ))
   (( segid "    " and resid 27   and name HB3 ))
 OR { 2240}
   (( segid "    " and resid 27   and name HG3 ))
   (( segid "    " and resid 27   and name HB2 ))
 ASSI { 2241}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HB2 ))
      1.800     0.200     0.400 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.14525E-01 ppm1      1.136 ppm2      1.420 CV     1
 ASSI { 2243}
   (  segid "    " and resid 8    and name HD1%)
   (( segid "    " and resid 8    and name HG  ))
      2.100     0.200     0.200 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.13510E-01 ppm1      0.847 ppm2      1.671 CV     1
 ASSI { 2245}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
      2.400     2.400     3.600 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.43996E-02 ppm1      0.817 ppm2      1.630 CV     1
 ASSI { 2246}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HG  ))
      2.200     0.200     0.200 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.11245E-01 ppm1      0.776 ppm2      1.669 CV     1
 ASSI { 2247}
   (  segid "    " and resid 23   and name HG1%)
   (( segid "    " and resid 23   and name HB  ))
      2.400     0.300     0.300 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.64010E-02 ppm1      0.690 ppm2      1.738 CV     1
 ASSI { 2249}
   (  segid "    " and resid 23   and name HG2%)
   (( segid "    " and resid 23   and name HB  ))
      2.200     0.300     0.300 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.85821E-02 ppm1      0.604 ppm2      1.735 CV     1
 ASSI { 2251}
   (  segid "    " and resid 46   and name HG1%)
   (( segid "    " and resid 31   and name HG  ))
      3.100     0.500     0.500 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.29314E-02 ppm1      1.028 ppm2      1.583 CV     1
 ASSI { 2253}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 31   and name HB3 ))
      2.600     0.300     0.300 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.56110E-02 ppm1      0.818 ppm2      1.468 CV     1
 ASSI { 2254}
   (  segid "    " and resid 34   and name HD2%)
   (( segid "    " and resid 34   and name HG  ))
      2.100     0.200     0.200 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.11154E-01 ppm1      0.734 ppm2      1.420 CV     1
 ASSI { 2255}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 34   and name HG  ))
      2.100     0.200     0.200 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.10837E-01 ppm1      0.684 ppm2      1.420 CV     1
 ASSI { 2257}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB3 ))
      2.400     0.300     0.300 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.50777E-02 ppm1      0.811 ppm2      1.391 CV     1
 ASSI { 2258}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HG2 ))
      3.200     0.500     0.500 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.24393E-02 ppm1      1.051 ppm2      1.394 CV     1
 OR { 2258}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 60   and name HG3 ))
 ASSI { 2259}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.000     0.200     0.200 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.61048E-02 ppm1      1.193 ppm2      1.342 CV     1
 ASSI { 2261}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG  ))
      3.100     0.500     0.500 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.21019E-02 ppm1      1.059 ppm2      1.324 CV     1
 ASSI { 2262}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 8    and name HB3 ))
      2.700     0.400     0.400 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.35618E-02 ppm1      0.897 ppm2      1.343 CV     1
 OR { 2262}
   (  segid "    " and resid 30   and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2264}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HB3 ))
      2.600     0.300     0.300 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.43288E-02 ppm1      0.775 ppm2      1.342 CV     1
 OR { 2264}
   (  segid "    " and resid 8    and name HD2%)
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2265}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HD3 ))
      3.200     0.500     0.500 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.22089E-02 ppm1      0.682 ppm2      1.312 CV     1
 OR { 2265}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 2266}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HG  ))
      2.500     0.300     0.300 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.50317E-02 ppm1      0.651 ppm2      1.323 CV     1
 ASSI { 2267}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HG  ))
      2.300     0.300     0.300 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.66496E-02 ppm1      0.611 ppm2      1.325 CV     1
 ASSI { 2268}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.300     0.300     0.300 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.86974E-02 ppm1      0.848 ppm2      1.237 CV     1
 ASSI { 2269}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.200     0.200     0.200 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.93046E-02 ppm1      0.809 ppm2      1.237 CV     1
 ASSI { 2270}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.900     0.400     0.400 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.20607E-02 ppm1      0.610 ppm2      1.233 CV     1
 ASSI { 2271}
   (  segid "    " and resid 9    and name HG1%)
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.200     0.200 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.99414E-02 ppm1      1.051 ppm2      1.139 CV     1
 ASSI { 2272}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 34   and name HB3 ))
      3.200     0.500     0.500 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.30499E-02 ppm1      0.965 ppm2      1.137 CV     1
 ASSI { 2273}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG13))
      2.500     2.500     3.500 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.49230E-02 ppm1      0.898 ppm2      1.140 CV     1
 OR { 2273}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 30   and name HG12))
 ASSI { 2274}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 33   and name HG  ))
      2.600     0.300     0.300 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.49872E-02 ppm1      0.824 ppm2      1.141 CV     1
 ASSI { 2275}
   (  segid "    " and resid 8    and name HD2%)
   (  segid "    " and resid 32   and name HG2%)
      2.200     0.200     0.200 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.11698E-01 ppm1      0.776 ppm2      1.144 CV     1
 ASSI { 2276}
   (  segid "    " and resid 34   and name HD2%)
   (  segid "    " and resid 32   and name HG2%)
      2.200     0.300     0.300 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.95019E-02 ppm1      0.734 ppm2      1.140 CV     1
 ASSI { 2278}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 53   and name HG1%)
      2.500     0.300     0.300 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.48111E-02 ppm1      0.604 ppm2      1.145 CV     1
 ASSI { 2279}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 46   and name HG1%)
      2.400     2.400     3.600 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.53641E-02 ppm1      0.894 ppm2      1.029 CV     1
 ASSI { 2280}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 9    and name HG1%)
      2.100     0.200     0.200 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.13171E-01 ppm1      0.819 ppm2      1.049 CV     1
 ASSI { 2282}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 9    and name HG1%)
      2.700     0.400     0.400 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.52834E-02 ppm1      0.698 ppm2      1.045 CV     1
 ASSI { 2283}
   (  segid "    " and resid 12   and name HD2%)
   (( segid "    " and resid 12   and name HB2 ))
      2.600     0.400     0.400 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.41889E-02 ppm1      0.656 ppm2      1.064 CV     1
 ASSI { 2284}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.400     0.400 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.25199E-02 ppm1      0.610 ppm2      1.054 CV     1
 ASSI { 2285}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.000     0.200     0.200 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.17644E-01 ppm1      0.776 ppm2      0.899 CV     1
 ASSI { 2287}
   (  segid "    " and resid 23   and name HG2%)
   (  segid "    " and resid 46   and name HG2%)
      2.800     2.800     3.200 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.25035E-02 ppm1      0.604 ppm2      0.962 CV     1
 ASSI { 2288}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 44   and name HG1%)
      1.900     0.200     0.300 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.20739E-01 ppm1      0.699 ppm2      0.827 CV     1
 ASSI { 2290}
   (  segid "    " and resid 12   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
      2.400     0.300     0.300 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.71713E-02 ppm1      0.609 ppm2      0.813 CV     1
 ASSI { 2295}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      4.000     4.000     2.000 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.49082E-03 ppm1      0.388 ppm2      9.170 CV     1
 ASSI { 2299}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 42   and name HZ2 ))
      4.000     4.000     2.000 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.50415E-03 ppm1      0.385 ppm2      7.563 CV     1
 ASSI { 2311}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      5.000     1.200     1.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.55534E-03 ppm1      0.290 ppm2      4.786 CV     1
 ASSI { 2312}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      3.500     3.500     2.500 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.37527E-03 ppm1      0.386 ppm2      4.519 CV     1
 ASSI { 2313}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      4.400     1.000     1.000 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.38515E-03 ppm1      0.385 ppm2      4.481 CV     1
 ASSI { 2314}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      4.000     0.800     0.800 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      0.385 ppm2      4.387 CV     1
 ASSI { 2315}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     0.400     0.400 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.14333E-02 ppm1      0.133 ppm2      4.237 CV     1
 ASSI { 2316}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      4.200     0.900     0.900 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.65393E-03 ppm1      0.384 ppm2      3.983 CV     1
 ASSI { 2317}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      4.200     0.900     0.900 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.72865E-03 ppm1      0.289 ppm2      3.883 CV     1
 ASSI { 2320}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HB2 ))
      3.400     0.600     0.600 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.16936E-02 ppm1      0.385 ppm2      2.899 CV     1
 ASSI { 2321}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HE2 ))
      3.200     0.500     0.500 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.89818E-03 ppm1      0.385 ppm2      2.845 CV     1
 ASSI { 2322}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HE3 ))
      3.200     0.500     0.500 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.15803E-02 ppm1      0.385 ppm2      2.727 CV     1
 ASSI { 2325}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 7    and name HG3 ))
      3.800     3.800     2.200 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.42712E-03 ppm1      0.383 ppm2      2.483 CV     1
 ASSI { 2326}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 7    and name HG2 ))
      3.300     0.500     0.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.61048E-03 ppm1      0.385 ppm2      2.375 CV     1
 ASSI { 2329}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 36   and name HB3 ))
      2.400     0.300     0.300 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.54579E-02 ppm1      0.385 ppm2      2.043 CV     1
 ASSI { 2330}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB3 ))
      2.500     2.500     3.500 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.49757E-02 ppm1      0.385 ppm2      1.819 CV     1
 OR { 2330}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 2331}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HD2 ))
      3.000     0.500     0.500 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.11594E-02 ppm1      0.385 ppm2      1.755 CV     1
 ASSI { 2332}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HD3 ))
      3.800     3.800     2.200 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.57361E-03 ppm1      0.385 ppm2      1.688 CV     1
 ASSI { 2334}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     0.500     0.500 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.96665E-03 ppm1      0.135 ppm2      1.471 CV     1
 ASSI { 2335}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 59   and name HG2 ))
      4.300     0.900     0.900 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.78661E-03 ppm1      0.608 ppm2      1.460 CV     1
 ASSI { 2336}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HG2 ))
      3.700     0.700     0.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.10588E-02 ppm1      0.385 ppm2      1.394 CV     1
 OR { 2336}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 60   and name HG3 ))
 ASSI { 2337}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HG  ))
      3.000     0.500     0.500 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.13158E-02 ppm1      0.451 ppm2      1.322 CV     1
 ASSI { 2338}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HB3 ))
      3.100     0.500     0.500 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.15803E-02 ppm1      0.288 ppm2      1.343 CV     1
 ASSI { 2339}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HD2 ))
      3.000     3.000     3.000 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.15847E-02 ppm1      0.132 ppm2      1.307 CV     1
 OR { 2339}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HD3 ))
 ASSI { 2340}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.700     0.400     0.400 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.16310E-02 ppm1      0.289 ppm2      1.193 CV     1
 ASSI { 2341}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.200     0.200 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.10472E-01 ppm1      0.386 ppm2      1.142 CV     1
 ASSI { 2342}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 9    and name HG1%)
      2.300     0.300     0.300 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.60916E-02 ppm1      0.385 ppm2      1.050 CV     1
 ASSI { 2343}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.000     0.200     0.200 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.74120E-02 ppm1      0.450 ppm2      1.065 CV     1
 ASSI { 2344}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HG2 ))
      2.200     2.200     3.800 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.44423E-02 ppm1      0.135 ppm2      0.960 CV     1
 ASSI { 2345}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 44   and name HG1%)
      3.600     0.700     0.700 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.22319E-02 ppm1      0.385 ppm2      0.824 CV     1
 ASSI { 2346}
   (  segid "    " and resid 33   and name HD1%)
   (  segid "    " and resid 33   and name HD2%)
      2.100     0.200     0.200 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.12756E-01 ppm1      0.385 ppm2      0.700 CV     1
 ASSI { 2347}
   (( segid "    " and resid 12   and name HB3 ))
   (  segid "    " and resid 12   and name HD2%)
      2.600     0.300     0.300 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.36721E-02 ppm1      0.450 ppm2      0.653 CV     1
 ASSI { 2349}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HG2 ))
      2.200     2.200     3.800 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.49855E-02 ppm1      0.604 ppm2      0.287 CV     1
 ASSI { 2359}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 41   and name HA  ))
      3.800     0.700     0.700 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.61213E-03 ppm1     -0.042 ppm2      5.207 CV     1
 ASSI { 2360}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      3.000     0.500     0.500 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.17694E-02 ppm1     -0.040 ppm2      4.550 CV     1
 ASSI { 2361}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 39   and name HA  ))
      3.700     0.700     0.700 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.52620E-03 ppm1     -0.042 ppm2      4.262 CV     1
 ASSI { 2362}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 56   and name HA  ))
      3.700     0.700     0.700 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.66381E-03 ppm1     -0.042 ppm2      4.118 CV     1
 ASSI { 2366}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 56   and name HB% )
      3.700     0.700     0.700 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.95860E-03 ppm1     -0.042 ppm2      1.353 CV     1
 ASSI { 2367}
   (  segid "    " and resid 55   and name HB% )
   (  segid "    " and resid 58   and name HG1%)
      3.500     0.600     0.600 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.10557E-02 ppm1     -0.042 ppm2      0.823 CV     1
 ASSI { 2369}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.000     0.200     0.200 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.10251E-01 ppm1      4.194 ppm2      3.896 CV     1
 ASSI { 2379}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.200     0.500     0.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.26351E-02 ppm1      4.158 ppm2      2.749 CV     1
 ASSI { 2386}
   (( segid "    " and resid 37   and name HB  ))
   (  segid "    " and resid 37   and name HG2%)
      2.200     0.200     0.200 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.10791E-01 ppm1      4.295 ppm2      1.323 CV     1
 ASSI { 2387}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.800     0.400     0.400 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.35519E-02 ppm1      4.289 ppm2      1.210 CV     1
 ASSI { 2388}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.300     0.300     0.300 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.82839E-02 ppm1      4.223 ppm2      1.210 CV     1
 ASSI { 2391}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 46   and name HG1%)
      2.500     2.500     3.500 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.45510E-02 ppm1      4.494 ppm2      1.032 CV     1
 ASSI { 2393}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
      3.100     3.100     2.900 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.53740E-02 ppm1      4.457 ppm2      0.885 CV     1
 ASSI { 2416}
   (( segid "    " and resid 51   and name HA2 ))
   (( segid "    " and resid 23   and name HB  ))
      3.700     0.700     0.700 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      3.950 ppm2      1.737 CV     1
 ASSI { 2420}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.200     0.200     0.200 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.11197E-01 ppm1      4.000 ppm2      1.353 CV     1
 ASSI { 2423}
   (( segid "    " and resid 37   and name HA  ))
   (  segid "    " and resid 37   and name HG2%)
      2.400     2.400     3.600 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.14957E-01 ppm1      4.002 ppm2      1.327 CV     1
 ASSI { 2425}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      3.100     0.500     0.500 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.20788E-02 ppm1      3.879 ppm2      1.196 CV     1
 ASSI { 2428}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 23   and name HG1%)
      2.900     2.900     3.100 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.13500E-02 ppm1      3.949 ppm2      0.692 CV     1
 ASSI { 2430}
   (( segid "    " and resid 51   and name HA2 ))
   (  segid "    " and resid 23   and name HG2%)
      2.800     0.400     0.400 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.23932E-02 ppm1      3.951 ppm2      0.606 CV     1
 ASSI { 2431}
   (( segid "    " and resid 51   and name HA1 ))
   (  segid "    " and resid 23   and name HG2%)
      3.600     0.600     0.600 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.22401E-02 ppm1      3.912 ppm2      0.606 CV     1
 ASSI { 2435}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG3 ))
      3.000     0.400     0.400 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.17924E-02 ppm1      3.880 ppm2      0.604 CV     1
 ASSI { 2436}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB3 ))
      2.500     0.300     0.300 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.41494E-02 ppm1      3.824 ppm2      0.450 CV     1
 ASSI { 2437}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      3.800     0.700     0.700 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.20739E-02 ppm1      3.878 ppm2     -0.041 CV     1
 ASSI { 2440}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HB3 ))
      2.000     0.200     0.200 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.73801E-02 ppm1      3.351 ppm2      3.180 CV     1
 ASSI { 2455}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 11   and name HB% )
      2.200     0.200     0.200 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.93655E-02 ppm1      3.308 ppm2      1.671 CV     1
 ASSI { 2460}
   (( segid "    " and resid 49   and name HD2 ))
   (  segid "    " and resid 23   and name HG1%)
      3.500     0.600     0.600 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.89404E-03 ppm1      3.308 ppm2      0.691 CV     1
 OR { 2460}
   (( segid "    " and resid 49   and name HD3 ))
   (  segid "    " and resid 23   and name HG1%)
 ASSI { 2464}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB3 ))
      1.900     0.200     0.300 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.15813E-01 ppm1      3.059 ppm2      2.873 CV     1
 ASSI { 2466}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HB3 ))
      2.000     0.200     0.200 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.97572E-02 ppm1      2.991 ppm2      2.814 CV     1
 ASSI { 2467}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HB3 ))
      2.100     2.100     3.900 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.80105E-02 ppm1      3.024 ppm2      2.758 CV     1
 ASSI { 2469}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HB3 ))
      2.000     0.200     0.200 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.12622E-01 ppm1      2.900 ppm2      2.629 CV     1
 ASSI { 2470}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB3 ))
      1.900     0.200     0.300 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.11084E-01 ppm1      2.804 ppm2      2.618 CV     1
 ASSI { 2471}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 25   and name HG3 ))
      4.200     0.900     0.900 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.66446E-03 ppm1      3.106 ppm2      2.568 CV     1
 ASSI { 2477}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 25   and name HB2 ))
      3.400     0.600     0.600 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.69573E-03 ppm1      2.896 ppm2      2.147 CV     1
 OR { 2477}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 25   and name HE% )
 ASSI { 2481}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HB2 ))
      4.000     4.000     2.000 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.85161E-03 ppm1      2.846 ppm2      2.049 CV     1
 ASSI { 2484}
   (( segid "    " and resid 60   and name HE2 ))
   (( segid "    " and resid 60   and name HD2 ))
      2.800     0.400     0.400 peak  2484 spectrum    1 weight  0.10000E+01 volume  0.20443E-02 ppm1      2.848 ppm2      1.755 CV     1
 ASSI { 2486}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HD2 ))
      2.500     0.300     0.300 peak  2486 spectrum    1 weight  0.10000E+01 volume  0.53296E-02 ppm1      3.001 ppm2      1.687 CV     1
 OR { 2486}
   (( segid "    " and resid 18   and name HE2 ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI { 2491}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.500     0.600     0.600 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.64093E-03 ppm1      2.806 ppm2      1.428 CV     1
 ASSI { 2492}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.900     0.800     0.800 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.14932E-02 ppm1      2.806 ppm2      1.472 CV     1
 ASSI { 2493}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HD3 ))
      3.600     0.700     0.700 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.61591E-03 ppm1      2.804 ppm2      1.314 CV     1
 OR { 2493}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 2494}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 54   and name HB3 ))
      5.900     1.700     0.100 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.66759E-03 ppm1      3.179 ppm2      1.347 CV     1
 ASSI { 2495}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 54   and name HB2 ))
      4.500     1.000     1.000 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.90891E-03 ppm1      3.180 ppm2      1.194 CV     1
 ASSI { 2496}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 53   and name HG1%)
      3.700     3.700     2.300 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.10852E-02 ppm1      2.815 ppm2      1.144 CV     1
 ASSI { 2501}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     0.500     0.500 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.17826E-02 ppm1      2.897 ppm2      0.911 CV     1
 ASSI { 2503}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 44   and name HG1%)
      3.300     0.600     0.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.14894E-02 ppm1      2.992 ppm2      0.827 CV     1
 ASSI { 2504}
   (( segid "    " and resid 59   and name HE2 ))
   (  segid "    " and resid 58   and name HG1%)
      3.500     3.500     2.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.15058E-02 ppm1      2.958 ppm2      0.815 CV     1
 OR { 2504}
   (( segid "    " and resid 59   and name HE3 ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 2505}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 44   and name HG1%)
      2.900     0.400     0.400 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.20953E-02 ppm1      2.812 ppm2      0.827 CV     1
 ASSI { 2513}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 55   and name HB% )
      4.000     0.800     0.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.76819E-03 ppm1      2.813 ppm2     -0.041 CV     1
 ASSI { 2515}
   (( segid "    " and resid 41   and name HB3 ))
   (( segid "    " and resid 52   and name HB3 ))
      3.200     0.500     0.500 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.74396E-03 ppm1      2.753 ppm2      2.440 CV     1
 ASSI { 2523}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 25   and name HE% )
      3.300     0.600     0.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.88120E-03 ppm1      2.760 ppm2      2.158 CV     1
 ASSI { 2530}
   (( segid "    " and resid 25   and name HG3 ))
   (( segid "    " and resid 25   and name HB3 ))
      3.600     0.600     0.600 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.11751E-02 ppm1      2.571 ppm2      1.932 CV     1
 ASSI { 2536}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 31   and name HG  ))
      4.600     1.100     1.100 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.32343E-03 ppm1      2.628 ppm2      1.582 CV     1
 ASSI { 2537}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 43   and name HB2 ))
      2.800     0.400     0.400 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.27042E-02 ppm1      2.617 ppm2      1.471 CV     1
 ASSI { 2538}
   (( segid "    " and resid 52   and name HB3 ))
   (  segid "    " and resid 21   and name HB% )
      4.600     1.100     1.100 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.47930E-03 ppm1      2.437 ppm2      1.409 CV     1
 ASSI { 2539}
   (( segid "    " and resid 22   and name HG3 ))
   (  segid "    " and resid 21   and name HB% )
      3.600     0.700     0.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.63582E-03 ppm1      2.354 ppm2      1.409 CV     1
 ASSI { 2542}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 53   and name HG1%)
      3.000     0.400     0.400 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.15707E-02 ppm1      2.759 ppm2      1.145 CV     1
 ASSI { 2543}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 34   and name HB3 ))
      4.100     4.100     1.900 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.64241E-03 ppm1      2.616 ppm2      1.139 CV     1
 ASSI { 2544}
   (( segid "    " and resid 25   and name HG3 ))
   (  segid "    " and resid 53   and name HG1%)
      4.000     0.800     0.800 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.84094E-03 ppm1      2.566 ppm2      1.145 CV     1
 ASSI { 2549}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HG2 ))
      3.100     0.500     0.500 peak  2549 spectrum    1 weight  0.10000E+01 volume  0.18862E-02 ppm1      2.616 ppm2      0.970 CV     1
 ASSI { 2553}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      4.100     0.800     0.800 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.70792E-03 ppm1      2.726 ppm2      0.775 CV     1
 ASSI { 2554}
   (( segid "    " and resid 25   and name HG2 ))
   (  segid "    " and resid 53   and name HG2%)
      3.700     0.700     0.700 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.68718E-03 ppm1      2.758 ppm2      0.697 CV     1
 ASSI { 2556}
   (( segid "    " and resid 43   and name HE2 ))
   (  segid "    " and resid 34   and name HD1%)
      3.900     0.800     0.800 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.76615E-03 ppm1      2.616 ppm2      0.684 CV     1
 ASSI { 2560}
   (( segid "    " and resid 43   and name HE2 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.100     0.500     0.500 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.12119E-02 ppm1      2.617 ppm2      0.135 CV     1
 ASSI { 2561}
   (( segid "    " and resid 43   and name HE3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.900     0.800     0.800 peak  2561 spectrum    1 weight  0.10000E+01 volume  0.65048E-03 ppm1      2.527 ppm2      0.137 CV     1
 ASSI { 2562}
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 55   and name HB% )
      2.200     0.200     0.200 peak  2562 spectrum    1 weight  0.10000E+01 volume  0.11406E-01 ppm1      2.727 ppm2     -0.041 CV     1
 ASSI { 2563}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.000     0.200     0.200 peak  2563 spectrum    1 weight  0.10000E+01 volume  0.92175E-02 ppm1      2.148 ppm2      1.925 CV     1
 ASSI { 2566}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HB3 ))
      2.000     0.200     0.200 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.11093E-01 ppm1      2.181 ppm2      1.970 CV     1
 ASSI { 2567}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.900     1.900     4.100 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.20837E-01 ppm1      2.121 ppm2      1.999 CV     1
 ASSI { 2579}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HG3 ))
      2.800     0.400     0.400 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.25973E-02 ppm1      2.050 ppm2      1.507 CV     1
 OR { 2579}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HG3 ))
 ASSI { 2582}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 21   and name HB% )
      3.100     3.100     2.900 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.15306E-02 ppm1      1.990 ppm2      1.408 CV     1
 ASSI { 2584}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 33   and name HG  ))
      4.000     4.000     2.000 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.56522E-03 ppm1      2.104 ppm2      1.143 CV     1
 ASSI { 2585}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HB2 ))
      3.300     0.500     0.500 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.73837E-03 ppm1      2.075 ppm2      1.189 CV     1
 ASSI { 2590}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 46   and name HG2%)
      3.200     0.500     0.500 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.87221E-03 ppm1      1.921 ppm2      0.960 CV     1
 ASSI { 2594}
   (( segid "    " and resid 46   and name HB  ))
   (  segid "    " and resid 31   and name HD1%)
      3.200     0.500     0.500 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.37099E-02 ppm1      2.115 ppm2      0.899 CV     1
 ASSI { 2600}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 31   and name HD1%)
      3.000     0.500     0.500 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.15169E-02 ppm1      1.924 ppm2      0.905 CV     1
 ASSI { 2608}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.600     0.300     0.300 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.38235E-02 ppm1      1.834 ppm2      1.458 CV     1
 OR { 2608}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 2612}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG3 ))
      2.300     0.300     0.300 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.92647E-02 ppm1      1.756 ppm2      1.391 CV     1
 OR { 2612}
   (( segid "    " and resid 60   and name HD2 ))
   (( segid "    " and resid 60   and name HG2 ))
 ASSI { 2615}
   (( segid "    " and resid 6    and name HD3 ))
   (( segid "    " and resid 6    and name HG3 ))
      2.200     0.200     0.200 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.11790E-01 ppm1      1.683 ppm2      1.342 CV     1
 OR { 2615}
   (( segid "    " and resid 6    and name HD2 ))
   (( segid "    " and resid 6    and name HG3 ))
 ASSI { 2616}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.900     0.400     0.400 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.19900E-02 ppm1      1.555 ppm2      1.349 CV     1
 OR { 2616}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 8    and name HB3 ))
 OR { 2616}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR { 2616}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI { 2617}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.200     0.200 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.14639E-01 ppm1      1.817 ppm2      1.142 CV     1
 OR { 2617}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2620}
   (( segid "    " and resid 60   and name HD2 ))
   (  segid "    " and resid 9    and name HG1%)
      3.100     0.500     0.500 peak  2620 spectrum    1 weight  0.10000E+01 volume  0.12726E-02 ppm1      1.754 ppm2      1.048 CV     1
 ASSI { 2621}
   (( segid "    " and resid 60   and name HD3 ))
   (  segid "    " and resid 9    and name HG1%)
      3.600     3.600     2.400 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.94083E-03 ppm1      1.677 ppm2      1.048 CV     1
 ASSI { 2622}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 9    and name HG1%)
      4.000     0.800     0.800 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.89556E-03 ppm1      1.634 ppm2      1.042 CV     1
 ASSI { 2624}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
      2.200     2.200     3.800 peak  2624 spectrum    1 weight  0.10000E+01 volume  0.39782E-02 ppm1      1.471 ppm2      0.997 CV     1
 ASSI { 2625}
   (( segid "    " and resid 49   and name HG2 ))
   (  segid "    " and resid 46   and name HG2%)
      3.000     3.000     3.000 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.11001E-02 ppm1      1.738 ppm2      0.962 CV     1
 ASSI { 2627}
   (( segid "    " and resid 49   and name HG3 ))
   (  segid "    " and resid 46   and name HG2%)
      3.300     3.300     2.700 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.58463E-03 ppm1      1.673 ppm2      0.961 CV     1
 ASSI { 2628}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 61   and name HD2%)
      2.300     0.300     0.300 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.84566E-02 ppm1      1.559 ppm2      0.870 CV     1
 OR { 2628}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI { 2629}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     0.500     0.500 peak  2629 spectrum    1 weight  0.10000E+01 volume  0.38038E-02 ppm1      1.468 ppm2      0.913 CV     1
 ASSI { 2632}
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      3.300     3.300     2.700 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.15115E-02 ppm1      1.799 ppm2      0.775 CV     1
 ASSI { 2648}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 46   and name HG2%)
      3.900     0.800     0.800 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.77493E-03 ppm1      1.581 ppm2      0.962 CV     1
 ASSI { 2655}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 10   and name HD1%)
      3.000     0.400     0.400 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.58184E-02 ppm1      1.393 ppm2      0.862 CV     1
 ASSI { 2656}
   (( segid "    " and resid 30   and name HG13))
   (  segid "    " and resid 61   and name HD2%)
      2.300     0.300     0.300 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.73866E-02 ppm1      1.142 ppm2      0.878 CV     1
 OR { 2656}
   (( segid "    " and resid 30   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
 OR { 2656}
   (( segid "    " and resid 30   and name HG13))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2657}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 8    and name HD1%)
      2.500     0.300     0.300 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.56719E-02 ppm1      1.341 ppm2      0.850 CV     1
 OR { 2657}
   (( segid "    " and resid 8    and name HB3 ))
   (  segid "    " and resid 8    and name HD1%)
 ASSI { 2663}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 44   and name HG2%)
      2.100     0.200     0.200 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.11928E-01 ppm1      1.143 ppm2      0.776 CV     1
 ASSI { 2664}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 58   and name HG1%)
      2.000     0.200     0.200 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.15655E-01 ppm1      1.049 ppm2      0.819 CV     1
 ASSI { 2666}
   (  segid "    " and resid 9    and name HG1%)
   (  segid "    " and resid 58   and name HG2%)
      3.100     0.500     0.500 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.32590E-02 ppm1      1.049 ppm2      0.776 CV     1
 ASSI { 2667}
   (  segid "    " and resid 53   and name HG1%)
   (  segid "    " and resid 53   and name HG2%)
      2.000     0.200     0.200 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.21693E-01 ppm1      1.143 ppm2      0.697 CV     1
 ASSI { 2676}
   (  segid "    " and resid 46   and name HG1%)
   (  segid "    " and resid 23   and name HG2%)
      3.200     3.200     2.800 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.21035E-02 ppm1      1.031 ppm2      0.608 CV     1
 ASSI { 2684}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 43   and name HG3 ))
      4.700     1.100     1.100 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.50300E-03 ppm1      1.423 ppm2      0.130 CV     1
 ASSI { 2688}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 43   and name HG3 ))
      5.500     1.500     0.500 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.37577E-03 ppm1      1.141 ppm2      0.137 CV     1
 ASSI { 2690}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 23   and name HG1%)
      2.600     0.300     0.300 peak  2690 spectrum    1 weight  0.10000E+01 volume  0.51353E-02 ppm1      0.960 ppm2      0.688 CV     1
 ASSI { 2691}
   (  segid "    " and resid 46   and name HG2%)
   (  segid "    " and resid 44   and name HG2%)
      2.800     0.400     0.400 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.29643E-02 ppm1      0.962 ppm2      0.779 CV     1
 ASSI { 2696}
   (  segid "    " and resid 58   and name HG2%)
   (  segid "    " and resid 53   and name HG2%)
      1.900     1.900     4.100 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.24771E-01 ppm1      0.775 ppm2      0.700 CV     1
 ASSI { 2699}
   (  segid "    " and resid 23   and name HG1%)
   (  segid "    " and resid 23   and name HG2%)
      2.100     0.200     0.200 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.13669E-01 ppm1      0.691 ppm2      0.607 CV     1
 ASSI { 2702}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HB3 ))
      3.000     0.400     0.400 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.49823E-02 ppm1      0.610 ppm2      0.451 CV     1
 ASSI { 2705}
   (  segid "    " and resid 53   and name HG2%)
   (( segid "    " and resid 54   and name HG2 ))
      4.300     0.900     0.900 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.64586E-03 ppm1      0.696 ppm2      0.288 CV     1
 ASSI { 2706}
   (  segid "    " and resid 34   and name HD1%)
   (( segid "    " and resid 43   and name HG3 ))
      4.300     0.900     0.900 peak  2706 spectrum    1 weight  0.10000E+01 volume  0.10623E-02 ppm1      0.681 ppm2      0.135 CV     1
 ASSI { 2718}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 45   and name HA  ))
      2.200     0.300     0.300 peak  2718 spectrum    1 weight  0.10000E+01 volume  0.74084E-02 ppm1      5.529 ppm2      5.414 CV     1
 ASSI { 2720}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 25   and name HG2 ))
      3.600     0.600     0.600 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.20739E-02 ppm1      3.102 ppm2      2.761 CV     1
 ASSI { 2726}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.700     1.100     1.100 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.23027E-03 ppm1      9.572 ppm2      8.868 CV     1
 ASSI { 2729}
   (( segid "    " and resid 42   and name HE1 ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     0.900     0.900 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.31652E-03 ppm1      9.308 ppm2      8.718 CV     1
 ASSI { 2730}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      4.600     1.000     1.000 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.28195E-03 ppm1      9.458 ppm2      8.185 CV     1
 ASSI { 2732}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HD22))
      4.300     0.900     0.900 peak  2732 spectrum    1 weight  0.10000E+01 volume  0.28146E-03 ppm1      8.515 ppm2      7.530 CV     1
 ASSI { 2738}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 40   and name HN  ))
      4.100     0.900     0.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.33248E-03 ppm1      7.532 ppm2      8.456 CV     1
 ASSI { 2739}
   (( segid "    " and resid 38   and name HD22))
   (( segid "    " and resid 41   and name HN  ))
      4.500     1.000     1.000 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.23998E-03 ppm1      7.531 ppm2      8.315 CV     1
 ASSI { 2741}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 41   and name HZ3 ))
      4.900     1.200     1.100 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.17068E-03 ppm1      9.071 ppm2      6.573 CV     1
 ASSI { 2743}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      4.600     1.000     1.000 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.33659E-03 ppm1      8.411 ppm2      9.350 CV     1
 ASSI { 2744}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      3.800     0.700     0.700 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.23701E-03 ppm1      6.992 ppm2      8.500 CV     1
 ASSI { 2745}
   (  segid "    " and resid 57   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      4.100     0.900     0.900 peak  2745 spectrum    1 weight  0.10000E+01 volume  0.30120E-03 ppm1      6.991 ppm2      8.623 CV     1
 ASSI { 2747}
   (( segid "    " and resid 43   and name HE3 ))
   (  segid "    " and resid 52   and name HE% )
      4.500     1.000     1.000 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.37873E-03 ppm1      2.526 ppm2      7.390 CV     1
 ASSI { 2751}
   (( segid "    " and resid 60   and name HG3 ))
   (( segid "    " and resid 62   and name HN  ))
      4.400     1.000     1.000 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.35733E-03 ppm1      1.384 ppm2      8.085 CV     1
 OR { 2751}
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 2753}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 42   and name HH2 ))
      4.200     0.900     0.900 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.32194E-03 ppm1     -0.042 ppm2      7.222 CV     1
 ASSI { 2754}
   (  segid "    " and resid 55   and name HB% )
   (( segid "    " and resid 42   and name HZ3 ))
      4.400     1.000     1.000 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.23043E-03 ppm1     -0.042 ppm2      6.727 CV     1
 ASSI { 2755}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      4.100     4.100     1.900 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.15842E-03 ppm1      0.769 ppm2      9.570 CV     1
 ASSI { 2757}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
      4.300     0.900     0.900 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.27504E-03 ppm1      0.779 ppm2      8.916 CV     1
 ASSI { 2758}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 28   and name HN  ))
      4.300     0.900     0.900 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.30203E-03 ppm1      0.810 ppm2      8.892 CV     1
 ASSI { 2761}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      4.600     1.000     1.000 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.27421E-03 ppm1      7.891 ppm2      9.385 CV     1
 ASSI { 2762}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.700     1.100     1.100 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.37561E-03 ppm1      7.896 ppm2      4.158 CV     1
 ASSI { 2764}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      4.700     1.100     1.100 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.23521E-03 ppm1      7.924 ppm2      3.883 CV     1
 ASSI { 2765}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HD3 ))
      4.600     1.100     1.100 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.30006E-03 ppm1      7.765 ppm2      3.794 CV     1
 ASSI { 2766}
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HA  ))
      4.200     0.900     0.900 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.41724E-03 ppm1      7.636 ppm2      4.332 CV     1
 ASSI { 2768}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.300     3.300     2.700 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.12834E-02 ppm1      8.408 ppm2      4.288 CV     1
 ASSI { 2770}
   (( segid "    " and resid 29   and name HN  ))
   (  segid "    " and resid 30   and name HD1%)
      3.500     0.600     0.600 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.81541E-03 ppm1      8.425 ppm2      0.909 CV     1
 ASSI { 2771}
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.700     3.700     2.300 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.27898E-03 ppm1      8.504 ppm2      0.822 CV     1
 ASSI { 2772}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 23   and name HG2%)
      4.600     1.100     1.100 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.21282E-03 ppm1      8.553 ppm2      0.605 CV     1
 ASSI { 2773}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.200     1.300     0.800 peak  2773 spectrum    1 weight  0.10000E+01 volume  0.13957E-03 ppm1      8.672 ppm2      0.383 CV     1
 ASSI { 2776}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HD2 ))
      4.600     1.100     1.100 peak  2776 spectrum    1 weight  0.10000E+01 volume  0.23849E-03 ppm1      7.765 ppm2      1.687 CV     1
 OR { 2776}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HD3 ))
 ASSI { 2777}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG2 ))
      5.400     1.400     0.600 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.20542E-03 ppm1      7.767 ppm2      1.629 CV     1
 ASSI { 2778}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HG3 ))
      4.900     1.200     1.100 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.24195E-03 ppm1      7.766 ppm2      1.506 CV     1
 ASSI { 2779}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 21   and name HB% )
      4.500     1.000     1.000 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.24788E-03 ppm1      7.764 ppm2      1.411 CV     1
 ASSI { 2781}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      4.700     1.100     1.100 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.23800E-03 ppm1      8.555 ppm2      5.407 CV     1
 ASSI { 2782}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HG3 ))
      4.700     1.100     1.100 peak  2782 spectrum    1 weight  0.10000E+01 volume  0.32936E-03 ppm1      8.718 ppm2      2.233 CV     1
 ASSI { 2783}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 46   and name HG1%)
      3.800     3.800     2.200 peak  2783 spectrum    1 weight  0.10000E+01 volume  0.24854E-03 ppm1      8.719 ppm2      1.027 CV     1
 ASSI { 2784}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 55   and name HB% )
      4.300     0.900     0.900 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.28425E-03 ppm1      8.457 ppm2     -0.042 CV     1
 ASSI { 2788}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 28   and name HA2 ))
      5.100     1.300     0.900 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.24080E-03 ppm1      9.090 ppm2      3.535 CV     1
 ASSI { 2789}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      4.600     1.000     1.000 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.30220E-03 ppm1      9.090 ppm2      3.308 CV     1
 ASSI { 2790}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.100     0.800     0.800 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.36013E-03 ppm1      9.091 ppm2      2.898 CV     1
 ASSI { 2792}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     0.500     0.500 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.13785E-02 ppm1      0.999 ppm2      4.237 CV     1
 ASSI { 2793}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HA  ))
      3.200     0.500     0.500 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.12001E-02 ppm1      0.962 ppm2      4.237 CV     1
 ASSI { 2794}
   (( segid "    " and resid 35   and name HD22))
   (( segid "    " and resid 35   and name HD21))
      1.700     0.100     0.500 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.32573E-01 ppm1      7.203 ppm2      7.945 CV     1
 ASSI { 2795}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.300     0.300 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.50843E-02 ppm1      9.351 ppm2      0.906 CV     1
 ASSI { 2797}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HE  ))
      2.300     0.300     0.300 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.70857E-02 ppm1      3.009 ppm2      7.226 CV     1
 ASSI { 2798}
   (( segid "    " and resid 18   and name HE3 ))
   (( segid "    " and resid 41   and name HE3 ))
      2.900     2.900     3.100 peak  2798 spectrum    1 weight  0.10000E+01 volume  0.37215E-02 ppm1      3.008 ppm2      6.940 CV     1
 ASSI { 2807}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HB3 ))
      2.000     0.200     0.200 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.10720E-01 ppm1      2.888 ppm2      1.982 CV     1
 ASSI { 2808}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 33   and name HD2%)
      2.400     0.300     0.300 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.41774E-02 ppm1      2.812 ppm2      0.699 CV     1
 ASSI { 2815}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HG3 ))
      3.000     0.400     0.400 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.28063E-02 ppm1      0.995 ppm2      0.134 CV     1
 ASSI { 2820}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      4.800     1.200     1.200 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.35371E-03 ppm1      6.676 ppm2      7.927 CV     1
 ASSI { 2822}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 58   and name HN  ))
      5.100     1.300     0.900 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.23701E-03 ppm1      6.678 ppm2      7.477 CV     1
 ASSI { 2823}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 58   and name HN  ))
      4.500     1.000     1.000 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.30878E-03 ppm1      6.595 ppm2      7.474 CV     1
 ASSI { 2827}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      3.900     0.800     0.800 peak  2827 spectrum    1 weight  0.10000E+01 volume  0.87975E-03 ppm1      0.886 ppm2      8.506 CV     1
 ASSI { 2828}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
      3.500     3.500     2.500 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.41346E-03 ppm1      0.867 ppm2      8.077 CV     1
 ASSI { 2829}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      4.000     0.800     0.800 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.12527E-02 ppm1      0.864 ppm2      5.221 CV     1
 ASSI { 2830}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HD2 ))
      4.900     1.200     1.100 peak  2830 spectrum    1 weight  0.10000E+01 volume  0.27372E-03 ppm1      0.959 ppm2      3.305 CV     1
 OR { 2830}
   (  segid "    " and resid 46   and name HG2%)
   (( segid "    " and resid 49   and name HD3 ))
 ASSI { 2831}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 27   and name HA  ))
      4.800     1.100     1.100 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.28639E-03 ppm1      0.853 ppm2      3.312 CV     1
 ASSI { 2833}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 25   and name HG2 ))
      3.300     3.300     2.700 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.59764E-03 ppm1      0.917 ppm2      2.759 CV     1
 ASSI { 2834}
   (  segid "    " and resid 30   and name HD1%)
   (( segid "    " and resid 29   and name HB3 ))
      3.600     3.600     2.400 peak  2834 spectrum    1 weight  0.10000E+01 volume  0.13686E-02 ppm1      0.893 ppm2      2.629 CV     1
 ASSI { 2835}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 25   and name HG3 ))
      3.500     3.500     2.500 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.40078E-03 ppm1      0.894 ppm2      2.566 CV     1
 ASSI { 2839}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
      2.600     0.300     0.300 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.28853E-02 ppm1      0.890 ppm2      1.467 CV     1
 ASSI { 2840}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 31   and name HB3 ))
      3.200     0.500     0.500 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.12842E-02 ppm1      0.779 ppm2      1.466 CV     1
 ASSI { 2841}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HD3 ))
      2.800     2.800     3.200 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.19866E-02 ppm1      0.955 ppm2      1.309 CV     1
 OR { 2841}
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HD2 ))
 ASSI { 2842}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 46   and name HG1%)
      2.400     2.400     3.600 peak  2842 spectrum    1 weight  0.10000E+01 volume  0.66842E-02 ppm1      0.921 ppm2      1.025 CV     1
 ASSI { 2843}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 23   and name HG2%)
      3.500     3.500     2.500 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.10858E-02 ppm1      0.917 ppm2      0.610 CV     1
 ASSI { 2844}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 23   and name HG2%)
      3.000     0.400     0.400 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.19652E-02 ppm1      0.891 ppm2      0.607 CV     1
 ASSI { 2845}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 30   and name HG13))
      2.400     2.400     3.600 peak  2845 spectrum    1 weight  0.10000E+01 volume  0.73721E-02 ppm1      0.870 ppm2      1.138 CV     1
 ASSI { 2847}
   (( segid "    " and resid 43   and name HG3 ))
   (( segid "    " and resid 43   and name HN  ))
      5.300     1.400     0.700 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.18550E-03 ppm1      0.134 ppm2      8.867 CV     1
 ASSI { 2852}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG1%)
      4.400     4.400     1.600 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.34845E-03 ppm1      7.736 ppm2      0.823 CV     1
 ASSI { 2853}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 53   and name HG2%)
      4.200     0.900     0.900 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.29314E-03 ppm1      7.734 ppm2      0.698 CV     1
 ASSI { 2854}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG3 ))
      5.500     1.500     0.500 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.17480E-03 ppm1      7.734 ppm2      0.607 CV     1
 ASSI { 2855}
   (( segid "    " and resid 52   and name HZ  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.800     0.700     0.700 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.32754E-03 ppm1      7.346 ppm2      1.471 CV     1
 ASSI { 2859}
   (( segid "    " and resid 16   and name HE22))
   (  segid "    " and resid 24   and name HG2%)
      3.400     0.600     0.600 peak  2859 spectrum    1 weight  0.10000E+01 volume  0.51057E-03 ppm1      6.843 ppm2      1.347 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   9.209  -8.011  -0.195
    2   2H    MET   1          2H        MET   1   8.874  -9.666   0.002
    3   3H    MET   1          3H        MET   1   9.542  -9.103  -1.450
    4    HA   MET   1           HA       MET   1  10.882  -9.027   1.186
    5   1HB   MET   1          2HB       MET   1  10.448 -11.282  -0.114
    6   1HG   MET   1          2HG       MET   1  12.654 -12.171   0.506
    7   1HE   MET   1          1HE       MET   1  13.921 -11.568   3.270
    8   2HE   MET   1          2HE       MET   1  12.770 -12.328   4.369
    9   3HE   MET   1          3HE       MET   1  13.200 -13.124   2.854
   10    H    ASP   2           H        ASP   2  10.452  -6.853  -0.697
   11    HA   ASP   2           HA       ASP   2  13.046  -6.640  -2.084
   12   1HB   ASP   2          2HB       ASP   2  10.619  -4.804  -2.358
   13    H    GLU   3           H        GLU   3  13.154  -3.813  -2.162
   14    HA   GLU   3           HA       GLU   3  14.043  -3.299   0.563
   15   1HB   GLU   3          2HB       GLU   3  14.883  -2.239  -2.122
   16   1HG   GLU   3          2HG       GLU   3  16.555  -2.945   0.278
   17    H    THR   4           H        THR   4  13.140  -1.567   1.667
   18    HA   THR   4           HA       THR   4  10.544  -0.803   0.704
   19    HB   THR   4           HB       THR   4  10.452   0.291   3.063
   20    HG1  THR   4           1HG      THR   4  12.143  -1.384   4.216
   21   1HG2  THR   4          1HG2      THR   4  10.663  -2.698   2.676
   22   2HG2  THR   4          2HG2      THR   4   9.201  -1.714   2.563
   23   3HG2  THR   4          3HG2      THR   4  10.006  -1.925   4.118
   24    H    GLY   5           H        GLY   5  12.201   0.412  -0.913
   25   1HA   GLY   5          1HA       GLY   5  12.088   3.236  -0.052
   26   2HA   GLY   5          2HA       GLY   5  13.118   2.627  -1.345
   27    H    LYS   6           H        LYS   6  12.409   3.089  -3.323
   28    HA   LYS   6           HA       LYS   6  10.983   3.521  -5.128
   29   1HB   LYS   6          2HB       LYS   6   9.158   1.473  -3.872
   30   1HG   LYS   6          2HG       LYS   6  11.617   0.734  -5.464
   31   1HD   LYS   6          2HD       LYS   6   9.415  -0.908  -4.226
   32   1HE   LYS   6          2HE       LYS   6  11.865  -1.764  -5.762
   33   1HZ   LYS   6          1HZ       LYS   6   9.691  -3.380  -4.551
   34   2HZ   LYS   6          2HZ       LYS   6  11.087  -3.999  -5.274
   35   3HZ   LYS   6          3HZ       LYS   6   9.953  -3.164  -6.205
   36    H    GLU   7           H        GLU   7  10.479   5.204  -2.844
   37    HA   GLU   7           HA       GLU   7   8.998   6.885  -2.223
   38   1HB   GLU   7          2HB       GLU   7   7.391   5.748  -4.511
   39   1HG   GLU   7          2HG       GLU   7   7.647   8.021  -5.446
   40    H    LEU   8           H        LEU   8   8.350   6.518  -0.240
   41    HA   LEU   8           HA       LEU   8   6.774   4.150   0.353
   42   1HB   LEU   8          2HB       LEU   8   8.181   6.147   2.105
   43    HG   LEU   8           HG       LEU   8   9.643   4.471   1.062
   44   1HD1  LEU   8          1HD1      LEU   8  10.215   5.311   3.266
   45   2HD1  LEU   8          2HD1      LEU   8   9.204   4.076   4.016
   46   3HD1  LEU   8          3HD1      LEU   8  10.653   3.607   3.126
   47   1HD2  LEU   8          1HD2      LEU   8   8.140   2.662   0.674
   48   2HD2  LEU   8          2HD2      LEU   8   9.398   2.096   1.770
   49   3HD2  LEU   8          3HD2      LEU   8   7.802   2.508   2.399
   50    H    VAL   9           H        VAL   9   4.957   4.220   1.699
   51    HA   VAL   9           HA       VAL   9   3.508   6.770   1.748
   52    HB   VAL   9           HB       VAL   9   1.382   5.398   1.242
   53   1HG1  VAL   9          1HG1      VAL   9   1.551   5.869  -1.105
   54   2HG1  VAL   9          2HG1      VAL   9   2.324   7.164  -0.192
   55   3HG1  VAL   9          3HG1      VAL   9   3.310   5.946  -1.003
   56   1HG2  VAL   9          1HG2      VAL   9   3.450   3.632  -0.052
   57   2HG2  VAL   9          2HG2      VAL   9   2.409   3.197   1.304
   58   3HG2  VAL   9          3HG2      VAL   9   1.705   3.519  -0.281
   59    H    LEU  10           H        LEU  10   1.792   6.851   3.224
   60    HA   LEU  10           HA       LEU  10   2.214   5.109   5.550
   61   1HB   LEU  10          2HB       LEU  10   2.556   7.474   5.980
   62    HG   LEU  10           HG       LEU  10   0.013   6.397   7.161
   63   1HD1  LEU  10          1HD1      LEU  10   2.038   5.323   7.888
   64   2HD1  LEU  10          2HD1      LEU  10   2.772   6.882   8.263
   65   3HD1  LEU  10          3HD1      LEU  10   1.390   6.311   9.198
   66   1HD2  LEU  10          1HD2      LEU  10   1.335   9.036   7.770
   67   2HD2  LEU  10          2HD2      LEU  10  -0.267   8.791   7.068
   68   3HD2  LEU  10          3HD2      LEU  10   0.054   8.289   8.728
   69    H    ALA  11           H        ALA  11   0.571   3.881   6.326
   70    HA   ALA  11           HA       ALA  11  -1.892   3.792   4.822
   71   1HB   ALA  11          1HB       ALA  11  -2.403   1.834   6.014
   72   2HB   ALA  11          2HB       ALA  11  -0.653   1.774   5.802
   73   3HB   ALA  11          3HB       ALA  11  -1.342   2.263   7.357
   74    H    LEU  12           H        LEU  12  -3.372   5.310   5.225
   75    HA   LEU  12           HA       LEU  12  -3.502   6.749   7.676
   76   1HB   LEU  12          2HB       LEU  12  -5.218   6.681   5.212
   77    HG   LEU  12           HG       LEU  12  -3.527   8.860   6.430
   78   1HD1  LEU  12          1HD1      LEU  12  -2.304   8.754   4.328
   79   2HD1  LEU  12          2HD1      LEU  12  -2.236   7.229   5.211
   80   3HD1  LEU  12          3HD1      LEU  12  -3.308   7.394   3.821
   81   1HD2  LEU  12          1HD2      LEU  12  -4.242  10.238   4.548
   82   2HD2  LEU  12          2HD2      LEU  12  -5.313   8.947   4.003
   83   3HD2  LEU  12          3HD2      LEU  12  -5.625   9.762   5.536
   84    H    TYR  13           H        TYR  13  -5.259   4.023   6.340
   85    HA   TYR  13           HA       TYR  13  -6.853   3.915   8.811
   86   1HB   TYR  13          2HB       TYR  13  -8.060   3.169   6.154
   87    HD1  TYR  13           1HD      TYR  13  -8.704   5.980   8.515
   88    HD2  TYR  13           2HD      TYR  13  -7.848   4.789   4.526
   89    HE1  TYR  13           1HE      TYR  13  -9.032   8.297   7.761
   90    HE2  TYR  13           2HE      TYR  13  -8.169   7.096   3.751
   91    HH   TYR  13           HH       TYR  13  -9.468   9.151   4.588
   92    H    ASP  14           H        ASP  14  -7.937   1.747   9.033
   93    HA   ASP  14           HA       ASP  14  -6.061  -0.380   8.446
   94   1HB   ASP  14          2HB       ASP  14  -7.215  -0.132  10.661
   95    H    TYR  15           H        TYR  15  -6.237  -1.648   6.718
   96    HA   TYR  15           HA       TYR  15  -8.835  -1.790   5.350
   97   1HB   TYR  15          2HB       TYR  15  -7.481  -0.297   4.030
   98    HD1  TYR  15           1HD      TYR  15  -5.770  -2.781   2.243
   99    HD2  TYR  15           2HD      TYR  15  -9.694  -1.334   3.013
  100    HE1  TYR  15           1HE      TYR  15  -6.566  -3.864   0.182
  101    HE2  TYR  15           2HE      TYR  15 -10.501  -2.412   0.964
  102    HH   TYR  15           HH       TYR  15  -8.646  -4.678  -0.782
  103    H    GLN  16           H        GLN  16  -9.452  -3.746   4.611
  104    HA   GLN  16           HA       GLN  16  -7.618  -6.004   5.122
  105   1HB   GLN  16          2HB       GLN  16  -9.582  -6.069   6.560
  106   1HG   GLN  16          2HG       GLN  16 -10.778  -8.127   5.743
  107   1HE2  GLN  16          1HE2      GLN  16  -8.675  -7.190   7.532
  108   2HE2  GLN  16          2HE2      GLN  16  -7.607  -8.534   7.731
  109    H    GLU  17           H        GLU  17  -7.032  -7.190   3.440
  110    HA   GLU  17           HA       GLU  17  -7.597  -6.542   0.780
  111   1HB   GLU  17          2HB       GLU  17  -6.523  -8.726   0.273
  112   1HG   GLU  17          2HG       GLU  17  -6.872  -9.109   3.219
  113    H    LYS  18           H        LYS  18  -8.919  -7.532  -0.795
  114    HA   LYS  18           HA       LYS  18 -11.213  -8.993   0.329
  115   1HB   LYS  18          2HB       LYS  18 -11.061  -7.461  -2.281
  116   1HG   LYS  18          2HG       LYS  18 -12.462  -6.631   0.256
  117   1HD   LYS  18          2HD       LYS  18 -13.409  -5.897  -1.988
  118   1HE   LYS  18          2HE       LYS  18 -12.196  -3.869  -2.916
  119   1HZ   LYS  18          1HZ       LYS  18 -10.761  -6.445  -3.309
  120   2HZ   LYS  18          2HZ       LYS  18 -10.821  -5.131  -4.381
  121   3HZ   LYS  18          3HZ       LYS  18 -12.219  -6.033  -4.077
  122    H    SER  19           H        SER  19  -9.048  -8.848  -2.459
  123    HA   SER  19           HA       SER  19  -9.439 -11.743  -2.840
  124   1HB   SER  19          2HB       SER  19  -8.791  -9.686  -4.982
  125    HG   SER  19           HG       SER  19 -11.239 -10.893  -4.201
  126    HA   PRO  20           HA       PRO  20  -5.062 -12.323  -2.372
  127   1HB   PRO  20          2HB       PRO  20  -4.896 -13.470  -5.113
  128   1HG   PRO  20          2HG       PRO  20  -6.608 -15.026  -4.761
  129   1HD   PRO  20          2HD       PRO  20  -7.640 -12.982  -5.219
  130    H    ALA  21           H        ALA  21  -6.227 -10.362  -4.856
  131    HA   ALA  21           HA       ALA  21  -3.637  -9.522  -5.834
  132   1HB   ALA  21          1HB       ALA  21  -5.553  -9.618  -7.360
  133   2HB   ALA  21          2HB       ALA  21  -6.372  -8.384  -6.398
  134   3HB   ALA  21          3HB       ALA  21  -4.879  -7.989  -7.252
  135    H    GLU  22           H        GLU  22  -5.687  -8.761  -3.233
  136    HA   GLU  22           HA       GLU  22  -4.442  -6.111  -2.893
  137   1HB   GLU  22          2HB       GLU  22  -6.905  -7.291  -1.595
  138   1HG   GLU  22          2HG       GLU  22  -7.788  -5.002  -2.606
  139    H    VAL  23           H        VAL  23  -3.744  -5.523  -0.718
  140    HA   VAL  23           HA       VAL  23  -3.147  -7.843   0.993
  141    HB   VAL  23           HB       VAL  23  -1.080  -6.577   1.744
  142   1HG1  VAL  23          1HG1      VAL  23   0.283  -7.412  -0.109
  143   2HG1  VAL  23          2HG1      VAL  23  -0.950  -8.574   0.383
  144   3HG1  VAL  23          3HG1      VAL  23  -1.174  -7.616  -1.081
  145   1HG2  VAL  23          1HG2      VAL  23  -1.619  -5.056  -0.804
  146   2HG2  VAL  23          2HG2      VAL  23  -1.582  -4.401   0.834
  147   3HG2  VAL  23          3HG2      VAL  23  -0.103  -5.015   0.098
  148    H    THR  24           H        THR  24  -3.102  -7.481   3.199
  149    HA   THR  24           HA       THR  24  -4.936  -5.424   4.069
  150    HB   THR  24           HB       THR  24  -3.548  -7.606   5.634
  151    HG1  THR  24           1HG      THR  24  -4.997  -8.446   4.113
  152   1HG2  THR  24          1HG2      THR  24  -5.914  -5.931   6.454
  153   2HG2  THR  24          2HG2      THR  24  -4.265  -5.667   7.016
  154   3HG2  THR  24          3HG2      THR  24  -5.099  -7.167   7.414
  155    H    MET  25           H        MET  25  -4.441  -3.589   5.054
  156    HA   MET  25           HA       MET  25  -1.735  -3.245   6.170
  157   1HB   MET  25          2HB       MET  25  -1.674  -0.940   5.385
  158   1HG   MET  25          2HG       MET  25  -4.144  -1.455   3.757
  159   1HE   MET  25          1HE       MET  25  -1.544   1.074   1.963
  160   2HE   MET  25          2HE       MET  25  -1.075  -0.223   3.061
  161   3HE   MET  25          3HE       MET  25  -2.293  -0.517   1.820
  162    H    LYS  26           H        LYS  26  -1.601  -1.759   7.933
  163    HA   LYS  26           HA       LYS  26  -4.215  -1.110   9.138
  164   1HB   LYS  26          2HB       LYS  26  -1.726  -1.999  10.634
  165   1HG   LYS  26          2HG       LYS  26  -3.362  -3.798  11.480
  166   1HD   LYS  26          2HD       LYS  26  -2.788  -5.312   9.615
  167   1HE   LYS  26          2HE       LYS  26  -0.746  -3.484  10.799
  168   1HZ   LYS  26          1HZ       LYS  26  -0.212  -5.624   8.814
  169   2HZ   LYS  26          2HZ       LYS  26   0.956  -5.039   9.894
  170   3HZ   LYS  26          3HZ       LYS  26   0.267  -3.996   8.746
  171    H    LYS  27           H        LYS  27  -4.274   0.814  10.382
  172    HA   LYS  27           HA       LYS  27  -2.884   2.985   9.344
  173   1HB   LYS  27          2HB       LYS  27  -4.873   3.523  10.434
  174   1HG   LYS  27          2HG       LYS  27  -4.467   4.876  12.418
  175   1HD   LYS  27          2HD       LYS  27  -2.182   5.212  10.483
  176   1HE   LYS  27          2HE       LYS  27  -3.715   7.233  12.114
  177   1HZ   LYS  27          1HZ       LYS  27  -2.640   8.023  10.013
  178   2HZ   LYS  27          2HZ       LYS  27  -1.141   7.597  10.692
  179   3HZ   LYS  27          3HZ       LYS  27  -2.100   8.781  11.431
  180    H    GLY  28           H        GLY  28  -0.864   3.637   9.549
  181   1HA   GLY  28          1HA       GLY  28   1.002   4.281  10.936
  182   2HA   GLY  28          2HA       GLY  28   0.612   2.938  12.006
  183    H    ASP  29           H        ASP  29   0.230   1.741   8.979
  184    HA   ASP  29           HA       ASP  29   2.827   0.462   9.023
  185   1HB   ASP  29          2HB       ASP  29   0.351   0.062   7.358
  186    H    ILE  30           H        ILE  30   4.437   0.741   7.586
  187    HA   ILE  30           HA       ILE  30   4.136   2.953   5.684
  188    HB   ILE  30           HB       ILE  30   6.577   1.701   6.944
  189   1HG1  ILE  30          2HG1      ILE  30   7.075   4.062   7.567
  190   1HG2  ILE  30          1HG2      ILE  30   7.086   1.967   4.591
  191   2HG2  ILE  30          2HG2      ILE  30   6.529   3.639   4.641
  192   3HG2  ILE  30          3HG2      ILE  30   7.966   3.163   5.545
  193   1HD1  ILE  30          1HD1      ILE  30   4.358   3.177   8.501
  194   2HD1  ILE  30          2HD1      ILE  30   5.907   2.751   9.232
  195   3HD1  ILE  30          3HD1      ILE  30   5.356   4.427   9.245
  196    H    LEU  31           H        LEU  31   3.613   2.388   3.733
  197    HA   LEU  31           HA       LEU  31   4.259  -0.297   2.747
  198   1HB   LEU  31          2HB       LEU  31   2.233   1.783   2.013
  199    HG   LEU  31           HG       LEU  31   0.605   0.027   2.099
  200   1HD1  LEU  31          1HD1      LEU  31   1.186  -2.267   2.663
  201   2HD1  LEU  31          2HD1      LEU  31   1.919  -1.753   1.143
  202   3HD1  LEU  31          3HD1      LEU  31   2.897  -1.843   2.608
  203   1HD2  LEU  31          1HD2      LEU  31   1.147   1.048   4.239
  204   2HD2  LEU  31          2HD2      LEU  31   0.731  -0.654   4.443
  205   3HD2  LEU  31          3HD2      LEU  31   2.420  -0.146   4.499
  206    H    THR  32           H        THR  32   5.227  -0.616   0.721
  207    HA   THR  32           HA       THR  32   6.757   1.677  -0.287
  208    HB   THR  32           HB       THR  32   7.152  -1.266  -0.879
  209    HG1  THR  32           1HG      THR  32   7.766   0.166   1.302
  210   1HG2  THR  32          1HG2      THR  32   8.818   1.189  -1.471
  211   2HG2  THR  32          2HG2      THR  32   8.051   0.101  -2.640
  212   3HG2  THR  32          3HG2      THR  32   9.394  -0.473  -1.651
  213    H    LEU  33           H        LEU  33   6.205   2.584  -2.191
  214    HA   LEU  33           HA       LEU  33   3.949   1.558  -3.624
  215   1HB   LEU  33          2HB       LEU  33   5.692   3.960  -3.890
  216    HG   LEU  33           HG       LEU  33   3.685   4.010  -2.405
  217   1HD1  LEU  33          1HD1      LEU  33   4.631   6.040  -3.403
  218   2HD1  LEU  33          2HD1      LEU  33   3.592   5.820  -4.809
  219   3HD1  LEU  33          3HD1      LEU  33   2.878   6.153  -3.228
  220   1HD2  LEU  33          1HD2      LEU  33   2.245   2.539  -3.724
  221   2HD2  LEU  33          2HD2      LEU  33   1.476   4.105  -3.460
  222   3HD2  LEU  33          3HD2      LEU  33   2.206   3.734  -5.022
  223    H    LEU  34           H        LEU  34   3.946   0.191  -5.190
  224    HA   LEU  34           HA       LEU  34   6.417  -0.394  -6.661
  225   1HB   LEU  34          2HB       LEU  34   3.839  -1.957  -6.644
  226    HG   LEU  34           HG       LEU  34   4.699  -1.947  -4.344
  227   1HD1  LEU  34          1HD1      LEU  34   3.588  -3.919  -5.198
  228   2HD1  LEU  34          2HD1      LEU  34   5.111  -4.530  -5.837
  229   3HD1  LEU  34          3HD1      LEU  34   4.885  -4.376  -4.094
  230   1HD2  LEU  34          1HD2      LEU  34   7.030  -1.479  -4.711
  231   2HD2  LEU  34          2HD2      LEU  34   6.888  -3.031  -3.891
  232   3HD2  LEU  34          3HD2      LEU  34   7.232  -2.978  -5.620
  233    H    ASN  35           H        ASN  35   3.040   0.488  -6.997
  234    HA   ASN  35           HA       ASN  35   3.544   1.745  -9.546
  235   1HB   ASN  35          2HB       ASN  35   3.020  -0.644 -10.135
  236   1HD2  ASN  35          1HD2      ASN  35   2.145  -1.083 -12.120
  237   2HD2  ASN  35          2HD2      ASN  35   1.422   0.133 -13.114
  238    H    SER  36           H        SER  36   2.513   3.626  -9.428
  239    HA   SER  36           HA       SER  36   0.004   3.762  -7.914
  240   1HB   SER  36          2HB       SER  36   0.839   6.066  -7.165
  241    HG   SER  36           HG       SER  36   3.404   4.960  -7.647
  242    H    THR  37           H        THR  37   0.560   3.602 -10.827
  243    HA   THR  37           HA       THR  37   0.057   6.261 -11.839
  244    HB   THR  37           HB       THR  37   1.358   4.499 -13.108
  245    HG1  THR  37           1HG      THR  37  -0.870   5.779 -14.349
  246   1HG2  THR  37          1HG2      THR  37  -1.407   3.434 -13.699
  247   2HG2  THR  37          2HG2      THR  37  -0.171   2.610 -12.751
  248   3HG2  THR  37          3HG2      THR  37   0.092   2.913 -14.469
  249    H    ASN  38           H        ASN  38  -1.824   3.950 -10.401
  250    HA   ASN  38           HA       ASN  38  -4.271   4.609 -11.862
  251   1HB   ASN  38          2HB       ASN  38  -3.698   2.237 -11.205
  252   1HD2  ASN  38          1HD2      ASN  38  -5.327   0.705 -11.062
  253   2HD2  ASN  38          2HD2      ASN  38  -7.004   1.152 -10.977
  254    H    LYS  39           H        LYS  39  -6.038   5.637 -10.783
  255    HA   LYS  39           HA       LYS  39  -5.112   7.494  -8.759
  256   1HB   LYS  39          2HB       LYS  39  -7.820   7.322 -10.039
  257   1HG   LYS  39          2HG       LYS  39  -5.507   9.074 -10.821
  258   1HD   LYS  39          2HD       LYS  39  -7.644  10.283 -10.823
  259   1HE   LYS  39          2HE       LYS  39  -8.629   8.378 -12.911
  260   1HZ   LYS  39          1HZ       LYS  39 -10.117  10.163 -11.070
  261   2HZ   LYS  39          2HZ       LYS  39 -10.727   9.345 -12.428
  262   3HZ   LYS  39          3HZ       LYS  39  -9.633  10.626 -12.629
  263    H    ASP  40           H        ASP  40  -6.996   4.602  -8.881
  264    HA   ASP  40           HA       ASP  40  -8.242   5.243  -6.291
  265   1HB   ASP  40          2HB       ASP  40  -8.988   3.117  -8.314
  266    H    TRP  41           H        TRP  41  -6.120   3.022  -7.914
  267    HA   TRP  41           HA       TRP  41  -5.805   1.530  -5.398
  268   1HB   TRP  41          2HB       TRP  41  -5.751   0.388  -8.200
  269    HD1  TRP  41           HD       TRP  41  -8.263   0.759  -8.821
  270    HE1  TRP  41           1HE      TRP  41 -10.477  -0.153  -7.864
  271    HE3  TRP  41           3HE      TRP  41  -6.496  -1.182  -4.434
  272    HZ2  TRP  41           2HZ      TRP  41 -11.347  -1.506  -5.538
  273    HZ3  TRP  41           3HZ      TRP  41  -8.082  -2.265  -2.897
  274    HH2  TRP  41           HH       TRP  41 -10.460  -2.423  -3.437
  275    H    TRP  42           H        TRP  42  -3.803   1.494  -4.641
  276    HA   TRP  42           HA       TRP  42  -1.588   1.996  -6.511
  277   1HB   TRP  42          2HB       TRP  42  -1.986   2.883  -3.658
  278    HD1  TRP  42           HD       TRP  42  -2.624   3.830  -7.010
  279    HE1  TRP  42           1HE      TRP  42  -2.495   6.357  -7.412
  280    HE3  TRP  42           3HE      TRP  42  -0.133   5.188  -2.766
  281    HZ2  TRP  42           2HZ      TRP  42  -1.467   8.626  -6.096
  282    HZ3  TRP  42           3HZ      TRP  42   0.398   7.576  -2.416
  283    HH2  TRP  42           HH       TRP  42  -0.267   9.250  -4.050
  284    H    LYS  43           H        LYS  43  -0.231   0.389  -6.783
  285    HA   LYS  43           HA       LYS  43  -0.501  -2.035  -5.233
  286   1HB   LYS  43          2HB       LYS  43  -0.128  -1.984  -7.727
  287   1HG   LYS  43          2HG       LYS  43   1.968  -3.463  -6.137
  288   1HD   LYS  43          2HD       LYS  43   1.012  -3.749  -8.977
  289   1HE   LYS  43          2HE       LYS  43   1.043  -5.972  -8.082
  290   1HZ   LYS  43          1HZ       LYS  43   3.828  -5.534  -7.178
  291   2HZ   LYS  43          2HZ       LYS  43   2.845  -6.896  -6.916
  292   3HZ   LYS  43          3HZ       LYS  43   2.496  -5.435  -6.134
  293    H    VAL  44           H        VAL  44   0.677  -2.529  -3.496
  294    HA   VAL  44           HA       VAL  44   3.261  -1.194  -3.096
  295    HB   VAL  44           HB       VAL  44   2.636  -0.815  -0.685
  296   1HG1  VAL  44          1HG1      VAL  44   2.681   1.050  -2.237
  297   2HG1  VAL  44          2HG1      VAL  44   1.039   0.677  -2.763
  298   3HG1  VAL  44          3HG1      VAL  44   1.332   1.230  -1.115
  299   1HG2  VAL  44          1HG2      VAL  44   0.228  -0.689  -0.160
  300   2HG2  VAL  44          2HG2      VAL  44  -0.129  -1.404  -1.732
  301   3HG2  VAL  44          3HG2      VAL  44   0.762  -2.328  -0.524
  302    H    GLU  45           H        GLU  45   4.480  -2.164  -1.251
  303    HA   GLU  45           HA       GLU  45   3.728  -4.972  -0.755
  304   1HB   GLU  45          2HB       GLU  45   5.775  -4.817  -2.156
  305   1HG   GLU  45          2HG       GLU  45   6.445  -5.704   0.647
  306    H    VAL  46           H        VAL  46   3.331  -5.440   1.305
  307    HA   VAL  46           HA       VAL  46   4.525  -3.743   3.406
  308    HB   VAL  46           HB       VAL  46   2.839  -5.655   4.599
  309   1HG1  VAL  46          1HG1      VAL  46   3.346  -3.426   5.425
  310   2HG1  VAL  46          2HG1      VAL  46   2.354  -2.722   4.142
  311   3HG1  VAL  46          3HG1      VAL  46   1.608  -3.735   5.381
  312   1HG2  VAL  46          1HG2      VAL  46   1.758  -6.034   2.481
  313   2HG2  VAL  46          2HG2      VAL  46   0.664  -5.192   3.581
  314   3HG2  VAL  46          3HG2      VAL  46   1.468  -4.303   2.287
  315    H    ASN  47           H        ASN  47   6.340  -4.526   4.100
  316    HA   ASN  47           HA       ASN  47   8.016  -5.819   4.784
  317   1HB   ASN  47          2HB       ASN  47   7.506  -7.769   6.185
  318   1HD2  ASN  47          1HD2      ASN  47   4.421  -6.382   6.648
  319   2HD2  ASN  47          2HD2      ASN  47   3.498  -7.807   6.331
  320    H    ASP  48           H        ASP  48   5.703  -7.975   3.280
  321    HA   ASP  48           HA       ASP  48   7.701  -8.745   1.308
  322   1HB   ASP  48          2HB       ASP  48   8.098 -10.392   3.075
  323    H    ARG  49           H        ARG  49   4.484  -8.239   2.253
  324    HA   ARG  49           HA       ARG  49   3.342  -9.948   0.191
  325   1HB   ARG  49          2HB       ARG  49   2.047  -8.194   2.283
  326   1HG   ARG  49          2HG       ARG  49   3.039 -10.218   3.240
  327   1HD   ARG  49          2HD       ARG  49   1.872 -12.400   2.640
  328    HE   ARG  49           HE       ARG  49   4.211 -11.828   1.854
  329   1HH1  ARG  49          2HH1      ARG  49   1.546 -12.344  -0.354
  330   2HH1  ARG  49          1HH1      ARG  49   2.556 -12.834  -1.677
  331   1HH2  ARG  49          2HH2      ARG  49   5.556 -12.490   0.139
  332   2HH2  ARG  49          1HH2      ARG  49   4.850 -12.924  -1.390
  333    H    GLN  50           H        GLN  50   3.358  -9.171  -1.817
  334    HA   GLN  50           HA       GLN  50   2.979  -6.315  -2.268
  335   1HB   GLN  50          2HB       GLN  50   3.740  -8.611  -4.056
  336   1HG   GLN  50          2HG       GLN  50   5.064  -5.995  -3.393
  337   1HE2  GLN  50          1HE2      GLN  50   7.639  -7.108  -3.846
  338   2HE2  GLN  50          2HE2      GLN  50   7.836  -7.288  -5.561
  339    H    GLY  51           H        GLY  51   1.097  -5.447  -2.751
  340   1HA   GLY  51          1HA       GLY  51  -0.879  -6.850  -4.294
  341   2HA   GLY  51          2HA       GLY  51  -1.322  -6.694  -2.603
  342    H    PHE  52           H        PHE  52  -3.017  -5.563  -4.166
  343    HA   PHE  52           HA       PHE  52  -2.332  -2.751  -4.503
  344   1HB   PHE  52          2HB       PHE  52  -4.688  -4.440  -5.314
  345    HD1  PHE  52           1HD      PHE  52  -3.449  -1.483  -7.040
  346    HD2  PHE  52           2HD      PHE  52  -3.270  -5.729  -6.793
  347    HE1  PHE  52           1HE      PHE  52  -2.377  -1.563  -9.253
  348    HE2  PHE  52           2HE      PHE  52  -2.189  -5.816  -9.002
  349    HZ   PHE  52           HZ       PHE  52  -1.743  -3.734 -10.232
  350    H    VAL  53           H        VAL  53  -3.259  -1.113  -3.388
  351    HA   VAL  53           HA       VAL  53  -5.373  -1.741  -1.457
  352    HB   VAL  53           HB       VAL  53  -4.378  -0.291   0.230
  353   1HG1  VAL  53          1HG1      VAL  53  -2.450  -1.681   0.874
  354   2HG1  VAL  53          2HG1      VAL  53  -3.843  -2.639   0.374
  355   3HG1  VAL  53          3HG1      VAL  53  -2.480  -2.424  -0.725
  356   1HG2  VAL  53          1HG2      VAL  53  -2.091  -0.021  -1.711
  357   2HG2  VAL  53          2HG2      VAL  53  -3.178   1.256  -1.160
  358   3HG2  VAL  53          3HG2      VAL  53  -2.046   0.509  -0.028
  359    HA   PRO  54           HA       PRO  54  -7.350   1.926  -3.015
  360   1HB   PRO  54          2HB       PRO  54  -7.804   2.717  -0.193
  361   1HG   PRO  54          2HG       PRO  54  -8.718   0.702   0.491
  362   1HD   PRO  54          2HD       PRO  54  -6.474   0.184   0.393
  363    H    ALA  55           H        ALA  55  -6.293   3.649  -3.761
  364    HA   ALA  55           HA       ALA  55  -4.010   4.817  -2.588
  365   1HB   ALA  55          1HB       ALA  55  -4.297   6.575  -4.258
  366   2HB   ALA  55          2HB       ALA  55  -4.509   4.975  -4.967
  367   3HB   ALA  55          3HB       ALA  55  -5.917   5.979  -4.615
  368    H    ALA  56           H        ALA  56  -7.382   5.295  -2.059
  369    HA   ALA  56           HA       ALA  56  -7.202   7.905  -0.907
  370   1HB   ALA  56          1HB       ALA  56  -9.508   7.572  -0.248
  371   2HB   ALA  56          2HB       ALA  56  -9.278   7.034  -1.912
  372   3HB   ALA  56          3HB       ALA  56  -9.390   5.848  -0.608
  373    H    TYR  57           H        TYR  57  -6.308   4.846   0.143
  374    HA   TYR  57           HA       TYR  57  -6.781   5.467   2.985
  375   1HB   TYR  57          2HB       TYR  57  -6.248   2.905   1.505
  376    HD1  TYR  57           1HD      TYR  57  -7.557   1.998   4.477
  377    HD2  TYR  57           2HD      TYR  57  -8.730   4.141   0.990
  378    HE1  TYR  57           1HE      TYR  57  -9.905   1.461   4.941
  379    HE2  TYR  57           2HE      TYR  57 -11.084   3.611   1.450
  380    HH   TYR  57           HH       TYR  57 -12.298   1.632   2.766
  381    H    VAL  58           H        VAL  58  -4.460   5.855   0.714
  382    HA   VAL  58           HA       VAL  58  -2.298   5.547   2.667
  383    HB   VAL  58           HB       VAL  58  -2.673   4.041   0.308
  384   1HG1  VAL  58          1HG1      VAL  58  -0.548   4.402  -0.863
  385   2HG1  VAL  58          2HG1      VAL  58  -1.658   5.766  -1.009
  386   3HG1  VAL  58          3HG1      VAL  58  -0.290   5.857   0.099
  387   1HG2  VAL  58          1HG2      VAL  58  -0.638   2.913   1.030
  388   2HG2  VAL  58          2HG2      VAL  58  -0.308   4.234   2.152
  389   3HG2  VAL  58          3HG2      VAL  58  -1.733   3.223   2.378
  390    H    LYS  59           H        LYS  59  -0.513   6.989   2.379
  391    HA   LYS  59           HA       LYS  59  -1.001   9.269   0.599
  392   1HB   LYS  59          2HB       LYS  59  -1.970   9.792   2.822
  393   1HG   LYS  59          2HG       LYS  59   0.442  11.356   1.983
  394   1HD   LYS  59          2HD       LYS  59  -0.411  13.126   3.541
  395   1HE   LYS  59          2HE       LYS  59   0.615  10.553   4.737
  396   1HZ   LYS  59          1HZ       LYS  59   0.462  13.285   5.876
  397   2HZ   LYS  59          2HZ       LYS  59   1.543  12.118   6.449
  398   3HZ   LYS  59          3HZ       LYS  59  -0.129  11.843   6.546
  399    H    LYS  60           H        LYS  60   0.785  10.087  -0.283
  400    HA   LYS  60           HA       LYS  60   3.292   8.986  -0.319
  401   1HB   LYS  60          2HB       LYS  60   2.161  11.607  -0.961
  402   1HG   LYS  60          2HG       LYS  60   3.403  11.520  -2.933
  403   1HD   LYS  60          2HD       LYS  60   2.852   8.633  -2.320
  404   1HE   LYS  60          2HE       LYS  60   2.502   8.562  -4.792
  405   1HZ   LYS  60          1HZ       LYS  60   4.620   7.857  -3.963
  406   2HZ   LYS  60          2HZ       LYS  60   5.172   9.446  -3.814
  407   3HZ   LYS  60          3HZ       LYS  60   4.900   8.780  -5.355
  408    H    LEU  61           H        LEU  61   4.744   8.598   1.280
  409    HA   LEU  61           HA       LEU  61   5.035  10.537   3.453
  410   1HB   LEU  61          2HB       LEU  61   6.298   7.854   2.924
  411    HG   LEU  61           HG       LEU  61   4.065   7.806   4.042
  412   1HD1  LEU  61          1HD1      LEU  61   5.702   6.027   4.359
  413   2HD1  LEU  61          2HD1      LEU  61   6.415   6.912   5.706
  414   3HD1  LEU  61          3HD1      LEU  61   4.765   6.298   5.829
  415   1HD2  LEU  61          1HD2      LEU  61   4.014   9.792   5.323
  416   2HD2  LEU  61          2HD2      LEU  61   4.114   8.479   6.488
  417   3HD2  LEU  61          3HD2      LEU  61   5.552   9.421   6.103
  418    H    ASP  62           H        ASP  62   6.247   9.890   0.410
  419    HA   ASP  62           HA       ASP  62   8.915  10.859   0.802
  420   1HB   ASP  62          2HB       ASP  62   9.132  10.671  -1.636
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  10.736  -7.216  -1.227
    2   2H    MET   1          2H        MET   1   9.875  -8.017  -2.445
    3   3H    MET   1          3H        MET   1  10.155  -6.355  -2.564
    4    HA   MET   1           HA       MET   1  12.162  -8.526  -2.684
    5   1HB   MET   1          2HB       MET   1  12.547  -7.763  -4.975
    6   1HG   MET   1          2HG       MET   1  10.165  -5.963  -4.617
    7   1HE   MET   1          1HE       MET   1   8.848  -7.122  -6.590
    8   2HE   MET   1          2HE       MET   1   9.563  -7.500  -8.159
    9   3HE   MET   1          3HE       MET   1  10.099  -8.357  -6.715
   10    H    ASP   2           H        ASP   2  11.594  -5.085  -2.267
   11    HA   ASP   2           HA       ASP   2  14.505  -4.729  -1.995
   12   1HB   ASP   2          2HB       ASP   2  14.143  -2.333  -2.488
   13    H    GLU   3           H        GLU   3  14.719  -2.480  -0.567
   14    HA   GLU   3           HA       GLU   3  13.277  -3.188   1.911
   15   1HB   GLU   3          2HB       GLU   3  16.131  -2.231   1.618
   16   1HG   GLU   3          2HG       GLU   3  16.178  -4.574   1.381
   17    H    THR   4           H        THR   4  11.905  -1.535   0.549
   18    HA   THR   4           HA       THR   4  10.799   0.440   0.612
   19    HB   THR   4           HB       THR   4  10.816   1.714   2.727
   20    HG1  THR   4           1HG      THR   4  13.166   0.306   3.101
   21   1HG2  THR   4          1HG2      THR   4  10.013  -0.081   4.192
   22   2HG2  THR   4          2HG2      THR   4  10.725  -1.281   3.116
   23   3HG2  THR   4          3HG2      THR   4   9.398  -0.266   2.550
   24    H    GLY   5           H        GLY   5  13.376   0.447  -0.712
   25   1HA   GLY   5          1HA       GLY   5  14.447   3.114  -0.116
   26   2HA   GLY   5          2HA       GLY   5  15.174   1.926  -1.190
   27    H    LYS   6           H        LYS   6  11.896   3.257  -1.078
   28    HA   LYS   6           HA       LYS   6  12.189   4.531  -3.682
   29   1HB   LYS   6          2HB       LYS   6  10.206   2.279  -3.180
   30   1HG   LYS   6          2HG       LYS   6  12.051   2.089  -5.469
   31   1HD   LYS   6          2HD       LYS   6  11.996  -0.276  -4.857
   32   1HE   LYS   6          2HE       LYS   6   9.266   0.994  -4.894
   33   1HZ   LYS   6          1HZ       LYS   6  10.171  -1.757  -5.540
   34   2HZ   LYS   6          2HZ       LYS   6   8.636  -1.148  -5.906
   35   3HZ   LYS   6          3HZ       LYS   6   9.126  -1.307  -4.291
   36    H    GLU   7           H        GLU   7   9.468   4.867  -4.175
   37    HA   GLU   7           HA       GLU   7   8.853   6.967  -2.393
   38   1HB   GLU   7          2HB       GLU   7   7.427   5.633  -4.642
   39   1HG   GLU   7          2HG       GLU   7   7.113   7.969  -5.391
   40    H    LEU   8           H        LEU   8   8.047   6.872  -0.439
   41    HA   LEU   8           HA       LEU   8   6.724   4.391   0.388
   42   1HB   LEU   8          2HB       LEU   8   8.249   6.432   1.993
   43    HG   LEU   8           HG       LEU   8   9.630   4.781   0.766
   44   1HD1  LEU   8          1HD1      LEU   8  10.464   5.716   2.841
   45   2HD1  LEU   8          2HD1      LEU   8   9.605   4.479   3.762
   46   3HD1  LEU   8          3HD1      LEU   8  10.938   4.022   2.701
   47   1HD2  LEU   8          1HD2      LEU   8   8.105   2.782   2.413
   48   2HD2  LEU   8          2HD2      LEU   8   8.140   2.914   0.654
   49   3HD2  LEU   8          3HD2      LEU   8   9.591   2.430   1.531
   50    H    VAL   9           H        VAL   9   4.963   4.445   1.696
   51    HA   VAL   9           HA       VAL   9   3.505   7.001   1.840
   52    HB   VAL   9           HB       VAL   9   1.389   5.691   1.350
   53   1HG1  VAL   9          1HG1      VAL   9   3.390   5.977  -0.878
   54   2HG1  VAL   9          2HG1      VAL   9   1.636   5.887  -1.052
   55   3HG1  VAL   9          3HG1      VAL   9   2.368   7.263  -0.227
   56   1HG2  VAL   9          1HG2      VAL   9   3.369   3.709   0.241
   57   2HG2  VAL   9          2HG2      VAL   9   2.299   3.448   1.619
   58   3HG2  VAL   9          3HG2      VAL   9   1.622   3.667   0.005
   59    H    LEU  10           H        LEU  10   1.822   7.073   3.404
   60    HA   LEU  10           HA       LEU  10   2.262   5.213   5.643
   61   1HB   LEU  10          2HB       LEU  10   2.603   7.560   6.199
   62    HG   LEU  10           HG       LEU  10   0.114   6.358   7.377
   63   1HD1  LEU  10          1HD1      LEU  10   2.879   6.856   8.466
   64   2HD1  LEU  10          2HD1      LEU  10   1.534   6.157   9.367
   65   3HD1  LEU  10          3HD1      LEU  10   2.205   5.300   7.979
   66   1HD2  LEU  10          1HD2      LEU  10   1.381   8.991   8.102
   67   2HD2  LEU  10          2HD2      LEU  10  -0.244   8.732   7.461
   68   3HD2  LEU  10          3HD2      LEU  10   0.176   8.145   9.073
   69    H    ALA  11           H        ALA  11   0.623   3.953   6.372
   70    HA   ALA  11           HA       ALA  11  -1.806   3.861   4.827
   71   1HB   ALA  11          1HB       ALA  11  -2.319   1.881   6.017
   72   2HB   ALA  11          2HB       ALA  11  -0.574   1.845   5.750
   73   3HB   ALA  11          3HB       ALA  11  -1.220   2.296   7.335
   74    H    LEU  12           H        LEU  12  -3.302   5.385   5.217
   75    HA   LEU  12           HA       LEU  12  -3.599   6.696   7.722
   76   1HB   LEU  12          2HB       LEU  12  -5.135   6.717   5.149
   77    HG   LEU  12           HG       LEU  12  -3.651   8.860   6.652
   78   1HD1  LEU  12          1HD1      LEU  12  -3.203   7.567   3.983
   79   2HD1  LEU  12          2HD1      LEU  12  -2.344   8.996   4.566
   80   3HD1  LEU  12          3HD1      LEU  12  -2.173   7.459   5.415
   81   1HD2  LEU  12          1HD2      LEU  12  -5.696   9.801   5.742
   82   2HD2  LEU  12          2HD2      LEU  12  -4.311  10.353   4.800
   83   3HD2  LEU  12          3HD2      LEU  12  -5.354   9.077   4.172
   84    H    TYR  13           H        TYR  13  -5.130   3.919   6.250
   85    HA   TYR  13           HA       TYR  13  -6.695   3.577   8.700
   86   1HB   TYR  13          2HB       TYR  13  -8.023   2.967   6.077
   87    HD1  TYR  13           1HD      TYR  13  -8.972   5.579   8.516
   88    HD2  TYR  13           2HD      TYR  13  -7.638   4.736   4.570
   89    HE1  TYR  13           1HE      TYR  13  -9.436   7.906   7.869
   90    HE2  TYR  13           2HE      TYR  13  -8.082   7.060   3.907
   91    HH   TYR  13           HH       TYR  13  -8.820   9.521   6.227
   92    H    ASP  14           H        ASP  14  -7.470   1.409   8.970
   93    HA   ASP  14           HA       ASP  14  -5.748  -0.642   7.974
   94   1HB   ASP  14          2HB       ASP  14  -7.205  -2.193   9.248
   95    H    TYR  15           H        TYR  15  -6.160  -2.134   6.437
   96    HA   TYR  15           HA       TYR  15  -8.709  -1.944   4.997
   97   1HB   TYR  15          2HB       TYR  15  -7.067  -0.627   3.727
   98    HD1  TYR  15           1HD      TYR  15  -6.038  -3.368   1.819
   99    HD2  TYR  15           2HD      TYR  15  -9.505  -1.080   2.744
  100    HE1  TYR  15           1HE      TYR  15  -7.086  -4.127  -0.257
  101    HE2  TYR  15           2HE      TYR  15 -10.578  -1.845   0.650
  102    HH   TYR  15           HH       TYR  15 -10.014  -2.767  -1.461
  103    H    GLN  16           H        GLN  16  -9.443  -3.816   4.073
  104    HA   GLN  16           HA       GLN  16  -7.973  -6.270   4.811
  105   1HB   GLN  16          2HB       GLN  16 -10.232  -5.776   5.920
  106   1HG   GLN  16          2HG       GLN  16 -11.227  -8.064   5.351
  107   1HE2  GLN  16          1HE2      GLN  16 -10.694  -9.691   6.779
  108   2HE2  GLN  16          2HE2      GLN  16  -9.410  -9.535   7.929
  109    H    GLU  17           H        GLU  17  -7.235  -7.380   3.118
  110    HA   GLU  17           HA       GLU  17  -7.770  -6.737   0.422
  111   1HB   GLU  17          2HB       GLU  17  -6.551  -8.829  -0.082
  112   1HG   GLU  17          2HG       GLU  17  -6.857  -9.309   2.851
  113    H    LYS  18           H        LYS  18  -9.480  -7.111  -0.753
  114    HA   LYS  18           HA       LYS  18 -11.603  -8.852   0.240
  115   1HB   LYS  18          2HB       LYS  18 -11.461  -7.047  -2.192
  116   1HG   LYS  18          2HG       LYS  18 -13.030  -6.609   0.348
  117   1HD   LYS  18          2HD       LYS  18 -13.877  -5.654  -1.867
  118   1HE   LYS  18          2HE       LYS  18 -12.828  -3.547  -2.576
  119   1HZ   LYS  18          1HZ       LYS  18 -11.154  -5.971  -2.760
  120   2HZ   LYS  18          2HZ       LYS  18 -10.763  -4.543  -3.567
  121   3HZ   LYS  18          3HZ       LYS  18 -12.214  -5.347  -3.928
  122    H    SER  19           H        SER  19  -8.995  -8.953  -1.810
  123    HA   SER  19           HA       SER  19  -9.743 -11.484  -2.999
  124   1HB   SER  19          2HB       SER  19  -8.953  -9.091  -4.697
  125    HG   SER  19           HG       SER  19 -11.402 -10.535  -4.644
  126    HA   PRO  20           HA       PRO  20  -5.469 -12.402  -2.403
  127   1HB   PRO  20          2HB       PRO  20  -5.363 -13.478  -5.172
  128   1HG   PRO  20          2HG       PRO  20  -7.246 -14.843  -4.928
  129   1HD   PRO  20          2HD       PRO  20  -8.020 -12.672  -5.329
  130    H    ALA  21           H        ALA  21  -6.358 -10.150  -4.723
  131    HA   ALA  21           HA       ALA  21  -3.651  -9.663  -5.678
  132   1HB   ALA  21          1HB       ALA  21  -6.210  -8.226  -6.356
  133   2HB   ALA  21          2HB       ALA  21  -4.648  -8.007  -7.147
  134   3HB   ALA  21          3HB       ALA  21  -5.497  -9.548  -7.280
  135    H    GLU  22           H        GLU  22  -5.654  -8.659  -3.135
  136    HA   GLU  22           HA       GLU  22  -4.258  -6.075  -2.879
  137   1HB   GLU  22          2HB       GLU  22  -6.622  -6.862  -1.196
  138   1HG   GLU  22          2HG       GLU  22  -6.756  -5.790  -4.000
  139    H    VAL  23           H        VAL  23  -3.790  -5.461  -0.532
  140    HA   VAL  23           HA       VAL  23  -3.140  -7.854   1.050
  141    HB   VAL  23           HB       VAL  23  -1.153  -6.527   1.959
  142   1HG1  VAL  23          1HG1      VAL  23  -0.872  -8.495   0.606
  143   2HG1  VAL  23          2HG1      VAL  23  -1.119  -7.556  -0.869
  144   3HG1  VAL  23          3HG1      VAL  23   0.309  -7.274   0.127
  145   1HG2  VAL  23          1HG2      VAL  23  -1.658  -4.354   1.060
  146   2HG2  VAL  23          2HG2      VAL  23  -0.148  -4.929   0.357
  147   3HG2  VAL  23          3HG2      VAL  23  -1.637  -4.986  -0.588
  148    H    THR  24           H        THR  24  -3.500  -7.794   3.164
  149    HA   THR  24           HA       THR  24  -5.145  -5.669   4.195
  150    HB   THR  24           HB       THR  24  -4.027  -8.106   5.585
  151    HG1  THR  24           1HG      THR  24  -5.380  -8.748   3.939
  152   1HG2  THR  24          1HG2      THR  24  -6.285  -6.277   6.393
  153   2HG2  THR  24          2HG2      THR  24  -4.691  -6.326   7.143
  154   3HG2  THR  24          3HG2      THR  24  -5.762  -7.726   7.253
  155    H    MET  25           H        MET  25  -4.441  -3.929   5.183
  156    HA   MET  25           HA       MET  25  -1.835  -3.953   6.557
  157   1HB   MET  25          2HB       MET  25  -1.284  -1.777   5.641
  158   1HG   MET  25          2HG       MET  25  -3.769  -1.873   3.957
  159   1HE   MET  25          1HE       MET  25  -2.007  -1.311   1.870
  160   2HE   MET  25          2HE       MET  25  -0.820  -0.014   1.991
  161   3HE   MET  25          3HE       MET  25  -0.686  -1.429   3.033
  162    H    LYS  26           H        LYS  26  -1.719  -1.760   7.921
  163    HA   LYS  26           HA       LYS  26  -4.320  -0.827   8.674
  164   1HB   LYS  26          2HB       LYS  26  -4.177  -1.294  11.060
  165   1HG   LYS  26          2HG       LYS  26  -1.584  -1.414  11.047
  166   1HD   LYS  26          2HD       LYS  26  -2.380  -4.285  10.614
  167   1HE   LYS  26          2HE       LYS  26  -0.760  -4.125  12.421
  168   1HZ   LYS  26          1HZ       LYS  26   0.231  -2.003  11.948
  169   2HZ   LYS  26          2HZ       LYS  26   0.876  -2.579  10.489
  170   3HZ   LYS  26          3HZ       LYS  26   1.444  -3.190  11.968
  171    H    LYS  27           H        LYS  27  -4.355   1.021   9.942
  172    HA   LYS  27           HA       LYS  27  -2.750   3.079   9.274
  173   1HB   LYS  27          2HB       LYS  27  -4.813   3.450  10.399
  174   1HG   LYS  27          2HG       LYS  27  -3.429   4.397  12.715
  175   1HD   LYS  27          2HD       LYS  27  -4.526   5.745  10.265
  176   1HE   LYS  27          2HE       LYS  27  -3.767   6.855  12.964
  177   1HZ   LYS  27          1HZ       LYS  27  -5.775   7.896  12.213
  178   2HZ   LYS  27          2HZ       LYS  27  -5.125   8.160  10.670
  179   3HZ   LYS  27          3HZ       LYS  27  -4.486   8.982  12.007
  180    H    GLY  28           H        GLY  28  -0.722   3.664   9.617
  181   1HA   GLY  28          1HA       GLY  28   1.002   4.244  11.221
  182   2HA   GLY  28          2HA       GLY  28   0.589   2.785  12.112
  183    H    ASP  29           H        ASP  29   0.439   1.777   9.059
  184    HA   ASP  29           HA       ASP  29   3.158   0.760   9.138
  185   1HB   ASP  29          2HB       ASP  29   0.667  -0.038   7.701
  186    H    ILE  30           H        ILE  30   4.676   1.060   7.591
  187    HA   ILE  30           HA       ILE  30   4.159   3.239   5.694
  188    HB   ILE  30           HB       ILE  30   6.712   2.214   6.938
  189   1HG1  ILE  30          2HG1      ILE  30   7.052   4.619   7.471
  190   1HG2  ILE  30          1HG2      ILE  30   6.470   4.023   4.549
  191   2HG2  ILE  30          2HG2      ILE  30   7.954   3.749   5.461
  192   3HG2  ILE  30          3HG2      ILE  30   7.195   2.416   4.590
  193   1HD1  ILE  30          1HD1      ILE  30   5.341   4.927   9.160
  194   2HD1  ILE  30          2HD1      ILE  30   4.404   3.605   8.463
  195   3HD1  ILE  30          3HD1      ILE  30   5.980   3.282   9.187
  196    H    LEU  31           H        LEU  31   3.717   2.622   3.725
  197    HA   LEU  31           HA       LEU  31   4.500  -0.068   2.866
  198   1HB   LEU  31          2HB       LEU  31   2.317   1.817   2.109
  199    HG   LEU  31           HG       LEU  31   0.832  -0.024   2.299
  200   1HD1  LEU  31          1HD1      LEU  31   1.594  -2.299   2.778
  201   2HD1  LEU  31          2HD1      LEU  31   2.141  -1.709   1.209
  202   3HD1  LEU  31          3HD1      LEU  31   3.262  -1.767   2.569
  203   1HD2  LEU  31          1HD2      LEU  31   1.145  -0.765   4.611
  204   2HD2  LEU  31          2HD2      LEU  31   2.798  -0.153   4.580
  205   3HD2  LEU  31          3HD2      LEU  31   1.440   0.963   4.435
  206    H    THR  32           H        THR  32   5.483  -0.444   0.904
  207    HA   THR  32           HA       THR  32   6.875   1.843  -0.277
  208    HB   THR  32           HB       THR  32   7.303  -1.102  -0.835
  209    HG1  THR  32           1HG      THR  32   8.109  -1.024   1.133
  210   1HG2  THR  32          1HG2      THR  32   8.141   0.300  -2.611
  211   2HG2  THR  32          2HG2      THR  32   9.512  -0.286  -1.660
  212   3HG2  THR  32          3HG2      THR  32   8.928   1.367  -1.444
  213    H    LEU  33           H        LEU  33   6.205   2.688  -2.149
  214    HA   LEU  33           HA       LEU  33   3.923   1.586  -3.468
  215   1HB   LEU  33          2HB       LEU  33   5.590   4.013  -3.777
  216    HG   LEU  33           HG       LEU  33   3.503   4.095  -2.468
  217   1HD1  LEU  33          1HD1      LEU  33   2.581   6.079  -3.564
  218   2HD1  LEU  33          2HD1      LEU  33   4.345   6.096  -3.567
  219   3HD1  LEU  33          3HD1      LEU  33   3.464   5.676  -5.036
  220   1HD2  LEU  33          1HD2      LEU  33   2.200   3.447  -5.111
  221   2HD2  LEU  33          2HD2      LEU  33   2.221   2.420  -3.679
  222   3HD2  LEU  33          3HD2      LEU  33   1.352   3.955  -3.651
  223    H    LEU  34           H        LEU  34   3.841   0.178  -5.010
  224    HA   LEU  34           HA       LEU  34   6.280  -0.450  -6.524
  225   1HB   LEU  34          2HB       LEU  34   3.732  -2.057  -6.360
  226    HG   LEU  34           HG       LEU  34   4.665  -1.997  -4.100
  227   1HD1  LEU  34          1HD1      LEU  34   4.957  -4.391  -3.798
  228   2HD1  LEU  34          2HD1      LEU  34   3.645  -4.046  -4.926
  229   3HD1  LEU  34          3HD1      LEU  34   5.209  -4.587  -5.534
  230   1HD2  LEU  34          1HD2      LEU  34   7.201  -2.832  -5.485
  231   2HD2  LEU  34          2HD2      LEU  34   6.940  -1.421  -4.458
  232   3HD2  LEU  34          3HD2      LEU  34   6.933  -3.040  -3.756
  233    H    ASN  35           H        ASN  35   2.837   0.244  -6.828
  234    HA   ASN  35           HA       ASN  35   3.280   1.346  -9.486
  235   1HB   ASN  35          2HB       ASN  35   2.636  -1.058  -9.812
  236   1HD2  ASN  35          1HD2      ASN  35   1.718  -1.616 -11.728
  237   2HD2  ASN  35          2HD2      ASN  35   0.896  -0.489 -12.754
  238    H    SER  36           H        SER  36   2.489   3.337  -9.300
  239    HA   SER  36           HA       SER  36  -0.046   3.679  -7.855
  240   1HB   SER  36          2HB       SER  36   0.839   5.951  -7.195
  241    HG   SER  36           HG       SER  36   2.619   5.849  -8.791
  242    H    THR  37           H        THR  37   0.634   3.360 -10.783
  243    HA   THR  37           HA       THR  37   0.077   5.979 -11.875
  244    HB   THR  37           HB       THR  37   1.500   4.292 -13.081
  245    HG1  THR  37           1HG      THR  37   0.375   6.132 -14.082
  246   1HG2  THR  37          1HG2      THR  37   0.106   2.306 -12.710
  247   2HG2  THR  37          2HG2      THR  37   0.395   2.585 -14.426
  248   3HG2  THR  37          3HG2      THR  37  -1.161   3.011 -13.714
  249    H    ASN  38           H        ASN  38  -1.736   3.504 -10.533
  250    HA   ASN  38           HA       ASN  38  -4.201   4.217 -11.918
  251   1HB   ASN  38          2HB       ASN  38  -3.731   1.847 -11.207
  252   1HD2  ASN  38          1HD2      ASN  38  -5.445   0.424 -10.953
  253   2HD2  ASN  38          2HD2      ASN  38  -7.081   0.963 -10.749
  254    H    LYS  39           H        LYS  39  -5.810   5.446 -10.922
  255    HA   LYS  39           HA       LYS  39  -4.741   7.109  -8.775
  256   1HB   LYS  39          2HB       LYS  39  -6.599   8.720  -9.558
  257   1HG   LYS  39          2HG       LYS  39  -7.669   7.006 -11.139
  258   1HD   LYS  39          2HD       LYS  39  -5.723   6.152 -12.263
  259   1HE   LYS  39          2HE       LYS  39  -5.251   8.960 -13.259
  260   1HZ   LYS  39          1HZ       LYS  39  -3.240   8.031 -14.204
  261   2HZ   LYS  39          2HZ       LYS  39  -4.600   7.241 -14.841
  262   3HZ   LYS  39          3HZ       LYS  39  -3.653   6.484 -13.653
  263    H    ASP  40           H        ASP  40  -6.686   4.550  -8.976
  264    HA   ASP  40           HA       ASP  40  -8.117   5.463  -6.568
  265   1HB   ASP  40          2HB       ASP  40  -9.026   3.581  -8.726
  266    H    TRP  41           H        TRP  41  -6.167   2.957  -8.029
  267    HA   TRP  41           HA       TRP  41  -5.971   1.661  -5.395
  268   1HB   TRP  41          2HB       TRP  41  -5.972   0.310  -8.106
  269    HD1  TRP  41           HD       TRP  41  -8.498   0.943  -8.643
  270    HE1  TRP  41           1HE      TRP  41 -10.738   0.142  -7.646
  271    HE3  TRP  41           3HE      TRP  41  -6.744  -1.233  -4.357
  272    HZ2  TRP  41           2HZ      TRP  41 -11.627  -1.225  -5.338
  273    HZ3  TRP  41           3HZ      TRP  41  -8.339  -2.256  -2.813
  274    HH2  TRP  41           HH       TRP  41 -10.740  -2.256  -3.289
  275    H    TRP  42           H        TRP  42  -3.972   1.506  -4.610
  276    HA   TRP  42           HA       TRP  42  -1.722   1.882  -6.476
  277   1HB   TRP  42          2HB       TRP  42  -2.103   2.834  -3.639
  278    HD1  TRP  42           HD       TRP  42  -2.707   3.778  -6.991
  279    HE1  TRP  42           1HE      TRP  42  -2.427   6.287  -7.423
  280    HE3  TRP  42           3HE      TRP  42  -0.110   5.027  -2.787
  281    HZ2  TRP  42           2HZ      TRP  42  -1.251   8.507  -6.148
  282    HZ3  TRP  42           3HZ      TRP  42   0.573   7.371  -2.474
  283    HH2  TRP  42           HH       TRP  42   0.006   9.073  -4.116
  284    H    LYS  43           H        LYS  43  -0.415   0.187  -6.691
  285    HA   LYS  43           HA       LYS  43  -0.731  -2.078  -4.905
  286   1HB   LYS  43          2HB       LYS  43  -0.517  -2.477  -7.337
  287   1HG   LYS  43          2HG       LYS  43   1.885  -3.531  -5.836
  288   1HD   LYS  43          2HD       LYS  43   2.068  -5.208  -7.404
  289   1HE   LYS  43          2HE       LYS  43   0.884  -3.013  -9.094
  290   1HZ   LYS  43          1HZ       LYS  43   2.827  -5.083  -9.931
  291   2HZ   LYS  43          2HZ       LYS  43   1.937  -4.022 -10.911
  292   3HZ   LYS  43          3HZ       LYS  43   1.153  -5.299 -10.111
  293    H    VAL  44           H        VAL  44   0.457  -2.391  -3.185
  294    HA   VAL  44           HA       VAL  44   3.059  -1.029  -2.978
  295    HB   VAL  44           HB       VAL  44   2.530  -0.641  -0.548
  296   1HG1  VAL  44          1HG1      VAL  44   0.765   0.742  -2.566
  297   2HG1  VAL  44          2HG1      VAL  44   1.129   1.342  -0.949
  298   3HG1  VAL  44          3HG1      VAL  44   2.419   1.187  -2.143
  299   1HG2  VAL  44          1HG2      VAL  44  -0.277  -1.317  -1.436
  300   2HG2  VAL  44          2HG2      VAL  44   0.720  -2.267  -0.334
  301   3HG2  VAL  44          3HG2      VAL  44   0.178  -0.656   0.134
  302    H    GLU  45           H        GLU  45   4.398  -1.920  -1.199
  303    HA   GLU  45           HA       GLU  45   3.911  -4.805  -0.830
  304   1HB   GLU  45          2HB       GLU  45   5.787  -4.258  -2.401
  305   1HG   GLU  45          2HG       GLU  45   6.670  -5.551   0.170
  306    H    VAL  46           H        VAL  46   3.661  -5.378   1.233
  307    HA   VAL  46           HA       VAL  46   4.967  -3.745   3.321
  308    HB   VAL  46           HB       VAL  46   3.320  -5.649   4.571
  309   1HG1  VAL  46          1HG1      VAL  46   2.164  -3.699   5.438
  310   2HG1  VAL  46          2HG1      VAL  46   3.916  -3.467   5.420
  311   3HG1  VAL  46          3HG1      VAL  46   2.907  -2.694   4.191
  312   1HG2  VAL  46          1HG2      VAL  46   1.846  -4.236   2.359
  313   2HG2  VAL  46          2HG2      VAL  46   2.075  -5.976   2.542
  314   3HG2  VAL  46          3HG2      VAL  46   1.086  -5.089   3.704
  315    H    ASN  47           H        ASN  47   6.807  -4.596   3.883
  316    HA   ASN  47           HA       ASN  47   8.513  -5.947   4.337
  317   1HB   ASN  47          2HB       ASN  47   7.969  -8.035   5.659
  318   1HD2  ASN  47          1HD2      ASN  47   5.327  -6.063   6.640
  319   2HD2  ASN  47          2HD2      ASN  47   4.107  -7.285   6.480
  320    H    ASP  48           H        ASP  48   6.033  -8.173   3.247
  321    HA   ASP  48           HA       ASP  48   7.825  -9.111   1.118
  322   1HB   ASP  48          2HB       ASP  48   8.245 -10.598   3.042
  323    H    ARG  49           H        ARG  49   4.784  -8.242   2.156
  324    HA   ARG  49           HA       ARG  49   3.332  -9.977   0.306
  325   1HB   ARG  49          2HB       ARG  49   2.323  -8.033   2.393
  326   1HG   ARG  49          2HG       ARG  49   3.308 -10.064   3.401
  327   1HD   ARG  49          2HD       ARG  49   1.872 -12.163   3.100
  328    HE   ARG  49           HE       ARG  49   4.215 -11.734   2.036
  329   1HH1  ARG  49          2HH1      ARG  49   1.301 -12.729   0.357
  330   2HH1  ARG  49          1HH1      ARG  49   2.158 -13.672  -0.824
  331   1HH2  ARG  49          2HH2      ARG  49   5.342 -12.985   0.494
  332   2HH2  ARG  49          1HH2      ARG  49   4.445 -13.828  -0.748
  333    H    GLN  50           H        GLN  50   3.224  -9.253  -1.705
  334    HA   GLN  50           HA       GLN  50   3.008  -6.389  -2.244
  335   1HB   GLN  50          2HB       GLN  50   3.496  -8.788  -3.999
  336   1HG   GLN  50          2HG       GLN  50   5.103  -6.274  -3.615
  337   1HE2  GLN  50          1HE2      GLN  50   7.534  -7.712  -3.936
  338   2HE2  GLN  50          2HE2      GLN  50   7.646  -8.178  -5.599
  339    H    GLY  51           H        GLY  51   1.099  -5.452  -2.622
  340   1HA   GLY  51          1HA       GLY  51  -0.984  -6.805  -4.052
  341   2HA   GLY  51          2HA       GLY  51  -1.339  -6.671  -2.339
  342    H    PHE  52           H        PHE  52  -2.944  -5.534  -4.247
  343    HA   PHE  52           HA       PHE  52  -2.353  -2.709  -4.410
  344   1HB   PHE  52          2HB       PHE  52  -4.690  -4.412  -5.252
  345    HD1  PHE  52           1HD      PHE  52  -3.675  -1.453  -7.051
  346    HD2  PHE  52           2HD      PHE  52  -3.058  -5.645  -6.639
  347    HE1  PHE  52           1HE      PHE  52  -2.591  -1.507  -9.255
  348    HE2  PHE  52           2HE      PHE  52  -1.969  -5.703  -8.849
  349    HZ   PHE  52           HZ       PHE  52  -1.762  -3.631 -10.172
  350    H    VAL  53           H        VAL  53  -3.369  -1.082  -3.342
  351    HA   VAL  53           HA       VAL  53  -5.523  -1.713  -1.467
  352    HB   VAL  53           HB       VAL  53  -4.551  -0.334   0.300
  353   1HG1  VAL  53          1HG1      VAL  53  -4.071  -2.709   0.360
  354   2HG1  VAL  53          2HG1      VAL  53  -2.644  -2.459  -0.648
  355   3HG1  VAL  53          3HG1      VAL  53  -2.699  -1.789   0.984
  356   1HG2  VAL  53          1HG2      VAL  53  -2.204   0.428   0.160
  357   2HG2  VAL  53          2HG2      VAL  53  -2.167  -0.080  -1.531
  358   3HG2  VAL  53          3HG2      VAL  53  -3.252   1.217  -1.022
  359    HA   PRO  54           HA       PRO  54  -7.389   2.029  -2.963
  360   1HB   PRO  54          2HB       PRO  54  -7.760   2.826  -0.125
  361   1HG   PRO  54          2HG       PRO  54  -8.792   0.847   0.522
  362   1HD   PRO  54          2HD       PRO  54  -6.565   0.233   0.430
  363    H    ALA  55           H        ALA  55  -6.341   3.752  -3.721
  364    HA   ALA  55           HA       ALA  55  -4.010   4.874  -2.599
  365   1HB   ALA  55          1HB       ALA  55  -5.961   6.055  -4.576
  366   2HB   ALA  55          2HB       ALA  55  -4.354   6.693  -4.225
  367   3HB   ALA  55          3HB       ALA  55  -4.528   5.098  -4.958
  368    H    ALA  56           H        ALA  56  -7.391   5.447  -2.053
  369    HA   ALA  56           HA       ALA  56  -7.130   8.001  -0.801
  370   1HB   ALA  56          1HB       ALA  56  -9.434   7.725  -0.167
  371   2HB   ALA  56          2HB       ALA  56  -9.226   7.170  -1.829
  372   3HB   ALA  56          3HB       ALA  56  -9.363   5.997  -0.517
  373    H    TYR  57           H        TYR  57  -6.175   4.963   0.166
  374    HA   TYR  57           HA       TYR  57  -6.691   5.486   3.021
  375   1HB   TYR  57          2HB       TYR  57  -6.144   2.976   1.465
  376    HD1  TYR  57           1HD      TYR  57  -7.364   1.890   4.387
  377    HD2  TYR  57           2HD      TYR  57  -8.642   4.267   1.094
  378    HE1  TYR  57           1HE      TYR  57  -9.694   1.324   4.888
  379    HE2  TYR  57           2HE      TYR  57 -10.980   3.714   1.594
  380    HH   TYR  57           HH       TYR  57 -11.932   2.214   4.510
  381    H    VAL  58           H        VAL  58  -4.462   6.271   0.911
  382    HA   VAL  58           HA       VAL  58  -2.233   5.822   2.746
  383    HB   VAL  58           HB       VAL  58  -2.635   4.488   0.257
  384   1HG1  VAL  58          1HG1      VAL  58  -0.186   6.221   0.310
  385   2HG1  VAL  58          2HG1      VAL  58  -0.467   4.887  -0.807
  386   3HG1  VAL  58          3HG1      VAL  58  -1.517   6.303  -0.845
  387   1HG2  VAL  58          1HG2      VAL  58  -1.805   3.434   2.265
  388   2HG2  VAL  58          2HG2      VAL  58  -0.651   3.234   0.943
  389   3HG2  VAL  58          3HG2      VAL  58  -0.347   4.428   2.208
  390    H    LYS  59           H        LYS  59  -0.638   7.413   2.685
  391    HA   LYS  59           HA       LYS  59  -1.050   9.619   0.785
  392   1HB   LYS  59          2HB       LYS  59  -1.955  10.162   3.095
  393   1HG   LYS  59          2HG       LYS  59   0.294  11.812   1.985
  394   1HD   LYS  59          2HD       LYS  59  -0.730  13.657   3.400
  395   1HE   LYS  59          2HE       LYS  59   0.711  11.473   4.888
  396   1HZ   LYS  59          1HZ       LYS  59   0.052  13.262   6.314
  397   2HZ   LYS  59          2HZ       LYS  59   0.643  14.422   5.228
  398   3HZ   LYS  59          3HZ       LYS  59   1.720  13.388   6.036
  399    H    LYS  60           H        LYS  60   0.778  10.450  -0.082
  400    HA   LYS  60           HA       LYS  60   3.225   9.144  -0.010
  401   1HB   LYS  60          2HB       LYS  60   2.497  11.988  -0.687
  402   1HG   LYS  60          2HG       LYS  60   1.817  10.210  -2.279
  403   1HD   LYS  60          2HD       LYS  60   4.596   9.470  -1.903
  404   1HE   LYS  60          2HE       LYS  60   4.921   8.817  -4.306
  405   1HZ   LYS  60          1HZ       LYS  60   6.068  10.754  -3.332
  406   2HZ   LYS  60          2HZ       LYS  60   4.787  11.751  -3.833
  407   3HZ   LYS  60          3HZ       LYS  60   5.740  10.957  -4.987
  408    H    LEU  61           H        LEU  61   4.673   8.941   1.583
  409    HA   LEU  61           HA       LEU  61   4.889  10.887   3.698
  410   1HB   LEU  61          2HB       LEU  61   6.727   8.623   2.891
  411    HG   LEU  61           HG       LEU  61   4.521   7.847   3.795
  412   1HD1  LEU  61          1HD1      LEU  61   5.505   6.311   5.421
  413   2HD1  LEU  61          2HD1      LEU  61   6.535   6.494   4.000
  414   3HD1  LEU  61          3HD1      LEU  61   6.950   7.320   5.501
  415   1HD2  LEU  61          1HD2      LEU  61   5.466   9.377   6.212
  416   2HD2  LEU  61          2HD2      LEU  61   3.951   9.577   5.333
  417   3HD2  LEU  61          3HD2      LEU  61   4.234   8.115   6.276
  418    H    ASP  62           H        ASP  62   6.377  10.135   0.665
  419    HA   ASP  62           HA       ASP  62   7.800  12.691   0.724
  420   1HB   ASP  62          2HB       ASP  62   8.895  10.008  -0.124
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1   9.390  -4.817  -3.704
    2   2H    MET   1          2H        MET   1   9.141  -5.835  -2.369
    3   3H    MET   1          3H        MET   1   8.229  -6.045  -3.775
    4    HA   MET   1           HA       MET   1   9.977  -7.711  -3.548
    5   1HB   MET   1          2HB       MET   1   9.063  -6.861  -5.761
    6   1HG   MET   1          2HG       MET   1  11.922  -7.788  -5.856
    7   1HE   MET   1          1HE       MET   1  11.291 -10.214  -7.873
    8   2HE   MET   1          2HE       MET   1  11.738  -9.461  -9.404
    9   3HE   MET   1          3HE       MET   1  12.726  -9.196  -7.967
   10    H    ASP   2           H        ASP   2  10.772  -5.307  -1.935
   11    HA   ASP   2           HA       ASP   2  13.619  -5.638  -1.993
   12   1HB   ASP   2          2HB       ASP   2  14.140  -3.257  -2.434
   13    H    GLU   3           H        GLU   3  14.318  -3.330  -0.588
   14    HA   GLU   3           HA       GLU   3  12.690  -3.679   1.844
   15   1HB   GLU   3          2HB       GLU   3  15.008  -4.521   2.046
   16   1HG   GLU   3          2HG       GLU   3  14.712  -2.018   3.682
   17    H    THR   4           H        THR   4  11.432  -2.007   0.526
   18    HA   THR   4           HA       THR   4  10.562   0.084   0.401
   19    HB   THR   4           HB       THR   4  10.772   1.516   2.399
   20    HG1  THR   4           1HG      THR   4  13.042   0.063   2.773
   21   1HG2  THR   4          1HG2      THR   4   9.805  -0.011   4.018
   22   2HG2  THR   4          2HG2      THR   4  10.431  -1.395   3.123
   23   3HG2  THR   4          3HG2      THR   4   9.184  -0.372   2.408
   24    H    GLY   5           H        GLY   5  12.974  -0.261  -1.065
   25   1HA   GLY   5          1HA       GLY   5  14.596   2.121  -0.517
   26   2HA   GLY   5          2HA       GLY   5  15.008   0.818  -1.623
   27    H    LYS   6           H        LYS   6  12.330   3.137  -1.257
   28    HA   LYS   6           HA       LYS   6  12.732   4.544  -3.613
   29   1HB   LYS   6          2HB       LYS   6  11.047   3.584  -5.121
   30   1HG   LYS   6          2HG       LYS   6  10.722   1.530  -2.982
   31   1HD   LYS   6          2HD       LYS   6   9.799  -0.025  -4.586
   32   1HE   LYS   6          2HE       LYS   6  12.532   0.775  -5.566
   33   1HZ   LYS   6          1HZ       LYS   6  11.404  -1.115  -6.659
   34   2HZ   LYS   6          2HZ       LYS   6  11.348  -1.913  -5.158
   35   3HZ   LYS   6          3HZ       LYS   6  12.844  -1.553  -5.874
   36    H    GLU   7           H        GLU   7   9.943   4.726  -4.370
   37    HA   GLU   7           HA       GLU   7   9.280   6.844  -2.620
   38   1HB   GLU   7          2HB       GLU   7   8.701   6.571  -5.096
   39   1HG   GLU   7          2HG       GLU   7   6.402   7.352  -3.320
   40    H    LEU   8           H        LEU   8   8.408   6.686  -0.640
   41    HA   LEU   8           HA       LEU   8   6.921   4.244   0.007
   42   1HB   LEU   8          2HB       LEU   8   8.279   6.269   1.774
   43    HG   LEU   8           HG       LEU   8   9.812   4.646   0.717
   44   1HD1  LEU   8          1HD1      LEU   8  10.883   3.864   2.755
   45   2HD1  LEU   8          2HD1      LEU   8  10.307   5.519   2.948
   46   3HD1  LEU   8          3HD1      LEU   8   9.408   4.181   3.667
   47   1HD2  LEU   8          1HD2      LEU   8   8.100   2.604   2.106
   48   2HD2  LEU   8          2HD2      LEU   8   8.301   2.805   0.367
   49   3HD2  LEU   8          3HD2      LEU   8   9.662   2.276   1.357
   50    H    VAL   9           H        VAL   9   5.159   4.378   1.481
   51    HA   VAL   9           HA       VAL   9   3.652   6.902   1.469
   52    HB   VAL   9           HB       VAL   9   1.550   5.454   1.107
   53   1HG1  VAL   9          1HG1      VAL   9   2.306   7.153  -0.427
   54   2HG1  VAL   9          2HG1      VAL   9   3.432   6.015  -1.170
   55   3HG1  VAL   9          3HG1      VAL   9   1.693   5.753  -1.308
   56   1HG2  VAL   9          1HG2      VAL   9   2.620   3.273   1.226
   57   2HG2  VAL   9          2HG2      VAL   9   1.867   3.516  -0.350
   58   3HG2  VAL   9          3HG2      VAL   9   3.615   3.673  -0.174
   59    H    LEU  10           H        LEU  10   1.912   6.908   3.023
   60    HA   LEU  10           HA       LEU  10   2.475   5.199   5.359
   61   1HB   LEU  10          2HB       LEU  10   2.854   7.577   5.755
   62    HG   LEU  10           HG       LEU  10   0.424   6.458   7.113
   63   1HD1  LEU  10          1HD1      LEU  10   2.531   5.461   7.712
   64   2HD1  LEU  10          2HD1      LEU  10   3.238   7.052   8.007
   65   3HD1  LEU  10          3HD1      LEU  10   1.949   6.453   9.049
   66   1HD2  LEU  10          1HD2      LEU  10   1.702   9.137   7.629
   67   2HD2  LEU  10          2HD2      LEU  10   0.074   8.852   7.012
   68   3HD2  LEU  10          3HD2      LEU  10   0.495   8.362   8.654
   69    H    ALA  11           H        ALA  11   0.844   3.951   6.189
   70    HA   ALA  11           HA       ALA  11  -1.664   3.913   4.721
   71   1HB   ALA  11          1HB       ALA  11  -2.164   1.897   6.000
   72   2HB   ALA  11          2HB       ALA  11  -0.554   1.792   5.286
   73   3HB   ALA  11          3HB       ALA  11  -0.738   2.158   7.003
   74    H    LEU  12           H        LEU  12  -3.297   5.176   5.326
   75    HA   LEU  12           HA       LEU  12  -3.333   6.441   7.914
   76   1HB   LEU  12          2HB       LEU  12  -5.128   6.619   5.509
   77    HG   LEU  12           HG       LEU  12  -3.317   8.640   6.813
   78   1HD1  LEU  12          1HD1      LEU  12  -2.162   7.039   5.409
   79   2HD1  LEU  12          2HD1      LEU  12  -3.263   7.402   4.079
   80   3HD1  LEU  12          3HD1      LEU  12  -2.165   8.641   4.682
   81   1HD2  LEU  12          1HD2      LEU  12  -5.269   8.951   4.532
   82   2HD2  LEU  12          2HD2      LEU  12  -5.373   9.724   6.113
   83   3HD2  LEU  12          3HD2      LEU  12  -4.068  10.154   5.005
   84    H    TYR  13           H        TYR  13  -5.160   3.914   6.294
   85    HA   TYR  13           HA       TYR  13  -6.667   3.511   8.791
   86   1HB   TYR  13          2HB       TYR  13  -7.942   2.990   6.119
   87    HD1  TYR  13           1HD      TYR  13  -8.751   5.517   8.684
   88    HD2  TYR  13           2HD      TYR  13  -7.650   4.810   4.639
   89    HE1  TYR  13           1HE      TYR  13  -9.186   7.880   8.167
   90    HE2  TYR  13           2HE      TYR  13  -8.076   7.174   4.105
   91    HH   TYR  13           HH       TYR  13  -9.230   9.072   4.903
   92    H    ASP  14           H        ASP  14  -7.627   1.326   8.906
   93    HA   ASP  14           HA       ASP  14  -5.818  -0.721   7.996
   94   1HB   ASP  14          2HB       ASP  14  -8.487  -0.971   9.410
   95    H    TYR  15           H        TYR  15  -6.044  -1.890   6.205
   96    HA   TYR  15           HA       TYR  15  -8.689  -1.908   4.920
   97   1HB   TYR  15          2HB       TYR  15  -7.210  -0.546   3.558
   98    HD1  TYR  15           1HD      TYR  15  -5.936  -3.252   1.713
   99    HD2  TYR  15           2HD      TYR  15  -9.578  -1.281   2.670
  100    HE1  TYR  15           1HE      TYR  15  -6.981  -4.233  -0.284
  101    HE2  TYR  15           2HE      TYR  15 -10.634  -2.254   0.682
  102    HH   TYR  15           HH       TYR  15  -9.187  -4.765  -1.132
  103    H    GLN  16           H        GLN  16  -9.447  -3.822   4.219
  104    HA   GLN  16           HA       GLN  16  -7.831  -6.195   4.909
  105   1HB   GLN  16          2HB       GLN  16  -9.911  -5.849   6.235
  106   1HG   GLN  16          2HG       GLN  16 -11.004  -8.017   5.848
  107   1HE2  GLN  16          1HE2      GLN  16  -9.035 -10.057   5.155
  108   2HE2  GLN  16          2HE2      GLN  16  -7.837 -10.004   6.403
  109    H    GLU  17           H        GLU  17  -7.248  -7.479   3.302
  110    HA   GLU  17           HA       GLU  17  -7.732  -6.839   0.606
  111   1HB   GLU  17          2HB       GLU  17  -6.523  -8.905   0.112
  112   1HG   GLU  17          2HG       GLU  17  -6.995  -9.501   3.013
  113    H    LYS  18           H        LYS  18  -9.046  -7.739  -0.947
  114    HA   LYS  18           HA       LYS  18 -11.322  -9.281   0.050
  115   1HB   LYS  18          2HB       LYS  18 -10.866  -7.913  -2.614
  116   1HG   LYS  18          2HG       LYS  18 -12.716  -7.131  -0.359
  117   1HD   LYS  18          2HD       LYS  18 -13.540  -6.638  -2.648
  118   1HE   LYS  18          2HE       LYS  18 -11.068  -4.914  -2.807
  119   1HZ   LYS  18          1HZ       LYS  18 -13.277  -5.305  -4.754
  120   2HZ   LYS  18          2HZ       LYS  18 -11.881  -4.386  -5.015
  121   3HZ   LYS  18          3HZ       LYS  18 -13.006  -3.900  -3.841
  122    H    SER  19           H        SER  19  -8.795  -9.331  -2.376
  123    HA   SER  19           HA       SER  19  -8.880 -12.258  -2.354
  124   1HB   SER  19          2HB       SER  19  -8.408 -12.225  -4.823
  125    HG   SER  19           HG       SER  19  -8.656  -9.474  -4.379
  126    HA   PRO  20           HA       PRO  20  -4.471 -12.144  -1.869
  127   1HB   PRO  20          2HB       PRO  20  -4.132 -13.496  -4.511
  128   1HG   PRO  20          2HG       PRO  20  -5.506 -15.300  -3.902
  129   1HD   PRO  20          2HD       PRO  20  -6.914 -13.560  -4.559
  130    H    ALA  21           H        ALA  21  -5.823 -10.744  -4.703
  131    HA   ALA  21           HA       ALA  21  -3.403  -9.574  -5.702
  132   1HB   ALA  21          1HB       ALA  21  -6.279  -8.860  -6.249
  133   2HB   ALA  21          2HB       ALA  21  -4.882  -8.246  -7.135
  134   3HB   ALA  21          3HB       ALA  21  -5.279  -9.965  -7.192
  135    H    GLU  22           H        GLU  22  -5.813  -8.746  -3.349
  136    HA   GLU  22           HA       GLU  22  -4.612  -6.100  -2.950
  137   1HB   GLU  22          2HB       GLU  22  -7.037  -7.353  -1.631
  138   1HG   GLU  22          2HG       GLU  22  -8.231  -5.411  -2.768
  139    H    VAL  23           H        VAL  23  -3.955  -5.516  -0.731
  140    HA   VAL  23           HA       VAL  23  -3.291  -7.891   0.869
  141    HB   VAL  23           HB       VAL  23  -1.225  -6.629   1.640
  142   1HG1  VAL  23          1HG1      VAL  23  -1.097  -8.593   0.252
  143   2HG1  VAL  23          2HG1      VAL  23  -1.390  -7.624  -1.196
  144   3HG1  VAL  23          3HG1      VAL  23   0.100  -7.408  -0.275
  145   1HG2  VAL  23          1HG2      VAL  23  -1.822  -5.056  -0.862
  146   2HG2  VAL  23          2HG2      VAL  23  -1.733  -4.437   0.788
  147   3HG2  VAL  23          3HG2      VAL  23  -0.279  -5.043  -0.006
  148    H    THR  24           H        THR  24  -3.534  -7.797   2.993
  149    HA   THR  24           HA       THR  24  -5.120  -5.647   4.067
  150    HB   THR  24           HB       THR  24  -3.953  -8.082   5.431
  151    HG1  THR  24           1HG      THR  24  -5.378  -8.859   3.986
  152   1HG2  THR  24          1HG2      THR  24  -5.629  -7.690   7.155
  153   2HG2  THR  24          2HG2      THR  24  -6.176  -6.238   6.313
  154   3HG2  THR  24          3HG2      THR  24  -4.556  -6.299   7.010
  155    H    MET  25           H        MET  25  -4.405  -3.932   5.161
  156    HA   MET  25           HA       MET  25  -1.714  -4.015   6.326
  157   1HB   MET  25          2HB       MET  25  -1.187  -1.801   5.463
  158   1HG   MET  25          2HG       MET  25  -3.706  -1.953   3.829
  159   1HE   MET  25          1HE       MET  25  -4.406   0.402   2.500
  160   2HE   MET  25          2HE       MET  25  -4.091   1.265   4.007
  161   3HE   MET  25          3HE       MET  25  -3.342   1.808   2.505
  162    H    LYS  26           H        LYS  26  -1.349  -2.364   7.937
  163    HA   LYS  26           HA       LYS  26  -3.853  -1.591   9.290
  164   1HB   LYS  26          2HB       LYS  26  -1.153  -2.225  10.532
  165   1HG   LYS  26          2HG       LYS  26  -2.451  -3.883  11.865
  166   1HD   LYS  26          2HD       LYS  26  -2.462  -4.407   8.898
  167   1HE   LYS  26          2HE       LYS  26  -2.207  -6.728   9.502
  168   1HZ   LYS  26          1HZ       LYS  26  -4.432  -5.682  11.157
  169   2HZ   LYS  26          2HZ       LYS  26  -4.356  -7.159  10.331
  170   3HZ   LYS  26          3HZ       LYS  26  -4.491  -5.710   9.465
  171    H    LYS  27           H        LYS  27  -3.940   0.486  10.270
  172    HA   LYS  27           HA       LYS  27  -2.499   2.486   8.923
  173   1HB   LYS  27          2HB       LYS  27  -3.535   4.118  10.341
  174   1HG   LYS  27          2HG       LYS  27  -3.247   2.909  12.483
  175   1HD   LYS  27          2HD       LYS  27  -5.646   1.435  11.441
  176   1HE   LYS  27          2HE       LYS  27  -4.377   1.303  14.174
  177   1HZ   LYS  27          1HZ       LYS  27  -5.202  -0.826  13.562
  178   2HZ   LYS  27          2HZ       LYS  27  -6.644  -0.172  12.951
  179   3HZ   LYS  27          3HZ       LYS  27  -6.337  -0.142  14.621
  180    H    GLY  28           H        GLY  28  -0.814   3.798   9.553
  181   1HA   GLY  28          1HA       GLY  28   0.933   4.481  11.045
  182   2HA   GLY  28          2HA       GLY  28   0.571   3.082  12.048
  183    H    ASP  29           H        ASP  29   0.524   1.883   9.047
  184    HA   ASP  29           HA       ASP  29   3.240   0.858   9.295
  185   1HB   ASP  29          2HB       ASP  29   0.844  -0.341   8.601
  186    H    ILE  30           H        ILE  30   4.697   0.868   7.514
  187    HA   ILE  30           HA       ILE  30   4.202   3.090   5.659
  188    HB   ILE  30           HB       ILE  30   6.762   1.996   6.811
  189   1HG1  ILE  30          2HG1      ILE  30   7.226   4.378   7.269
  190   1HG2  ILE  30          1HG2      ILE  30   8.041   3.354   5.226
  191   2HG2  ILE  30          2HG2      ILE  30   7.127   2.085   4.411
  192   3HG2  ILE  30          3HG2      ILE  30   6.552   3.753   4.368
  193   1HD1  ILE  30          1HD1      ILE  30   6.022   3.165   9.014
  194   2HD1  ILE  30          2HD1      ILE  30   5.572   4.869   8.949
  195   3HD1  ILE  30          3HD1      ILE  30   4.489   3.647   8.282
  196    H    LEU  31           H        LEU  31   3.708   2.559   3.697
  197    HA   LEU  31           HA       LEU  31   4.259  -0.157   2.752
  198   1HB   LEU  31          2HB       LEU  31   2.271   1.956   1.993
  199    HG   LEU  31           HG       LEU  31   0.593   0.250   2.174
  200   1HD1  LEU  31          1HD1      LEU  31   1.154  -2.034   2.858
  201   2HD1  LEU  31          2HD1      LEU  31   1.805  -1.607   1.275
  202   3HD1  LEU  31          3HD1      LEU  31   2.865  -1.639   2.685
  203   1HD2  LEU  31          1HD2      LEU  31   1.177   1.333   4.260
  204   2HD2  LEU  31          2HD2      LEU  31   0.758  -0.357   4.544
  205   3HD2  LEU  31          3HD2      LEU  31   2.449   0.145   4.543
  206    H    THR  32           H        THR  32   5.223  -0.531   0.743
  207    HA   THR  32           HA       THR  32   6.763   1.729  -0.327
  208    HB   THR  32           HB       THR  32   7.070  -1.221  -0.931
  209    HG1  THR  32           1HG      THR  32   7.916  -1.175   1.024
  210   1HG2  THR  32          1HG2      THR  32   8.771   1.186  -1.594
  211   2HG2  THR  32          2HG2      THR  32   7.941   0.119  -2.729
  212   3HG2  THR  32          3HG2      THR  32   9.302  -0.487  -1.786
  213    H    LEU  33           H        LEU  33   6.160   2.658  -2.187
  214    HA   LEU  33           HA       LEU  33   3.882   1.623  -3.592
  215   1HB   LEU  33          2HB       LEU  33   5.417   4.117  -3.587
  216    HG   LEU  33           HG       LEU  33   3.158   4.043  -2.663
  217   1HD1  LEU  33          1HD1      LEU  33   3.472   5.705  -5.147
  218   2HD1  LEU  33          2HD1      LEU  33   2.185   5.924  -3.958
  219   3HD1  LEU  33          3HD1      LEU  33   3.866   6.146  -3.487
  220   1HD2  LEU  33          1HD2      LEU  33   1.232   3.817  -4.206
  221   2HD2  LEU  33          2HD2      LEU  33   2.350   3.287  -5.464
  222   3HD2  LEU  33          3HD2      LEU  33   2.153   2.329  -3.994
  223    H    LEU  34           H        LEU  34   3.986   0.111  -4.987
  224    HA   LEU  34           HA       LEU  34   6.415  -0.428  -6.504
  225   1HB   LEU  34          2HB       LEU  34   3.775  -1.893  -6.579
  226    HG   LEU  34           HG       LEU  34   4.614  -1.979  -4.262
  227   1HD1  LEU  34          1HD1      LEU  34   4.648  -4.415  -4.065
  228   2HD1  LEU  34          2HD1      LEU  34   3.400  -3.866  -5.184
  229   3HD1  LEU  34          3HD1      LEU  34   4.898  -4.553  -5.808
  230   1HD2  LEU  34          1HD2      LEU  34   6.734  -3.171  -3.809
  231   2HD2  LEU  34          2HD2      LEU  34   7.092  -3.139  -5.535
  232   3HD2  LEU  34          3HD2      LEU  34   6.974  -1.628  -4.630
  233    H    ASN  35           H        ASN  35   3.089   0.606  -6.906
  234    HA   ASN  35           HA       ASN  35   3.704   1.909  -9.395
  235   1HB   ASN  35          2HB       ASN  35   3.192  -0.449 -10.096
  236   1HD2  ASN  35          1HD2      ASN  35   3.693   0.520 -12.016
  237   2HD2  ASN  35          2HD2      ASN  35   2.511   1.284 -13.018
  238    H    SER  36           H        SER  36   2.513   3.721  -9.544
  239    HA   SER  36           HA       SER  36  -0.031   3.851  -8.079
  240   1HB   SER  36          2HB       SER  36   0.669   6.200  -7.369
  241    HG   SER  36           HG       SER  36   3.169   6.051  -7.152
  242    H    THR  37           H        THR  37   0.504   3.550 -10.939
  243    HA   THR  37           HA       THR  37  -0.027   6.142 -12.096
  244    HB   THR  37           HB       THR  37   1.235   4.345 -13.334
  245    HG1  THR  37           1HG      THR  37  -1.029   5.678 -14.386
  246   1HG2  THR  37          1HG2      THR  37  -0.223   2.436 -12.785
  247   2HG2  THR  37          2HG2      THR  37  -0.054   2.641 -14.527
  248   3HG2  THR  37          3HG2      THR  37  -1.525   3.172 -13.717
  249    H    ASN  38           H        ASN  38  -1.837   3.831 -10.519
  250    HA   ASN  38           HA       ASN  38  -4.344   4.510 -11.850
  251   1HB   ASN  38          2HB       ASN  38  -3.811   2.145 -11.141
  252   1HD2  ASN  38          1HD2      ASN  38  -5.502   0.692 -10.871
  253   2HD2  ASN  38          2HD2      ASN  38  -7.142   1.213 -10.652
  254    H    LYS  39           H        LYS  39  -5.986   5.645 -10.745
  255    HA   LYS  39           HA       LYS  39  -4.838   7.531  -8.830
  256   1HB   LYS  39          2HB       LYS  39  -7.429   7.742 -10.328
  257   1HG   LYS  39          2HG       LYS  39  -6.097   9.502 -11.677
  258   1HD   LYS  39          2HD       LYS  39  -5.779   6.539 -12.117
  259   1HE   LYS  39          2HE       LYS  39  -5.328   8.762 -14.099
  260   1HZ   LYS  39          1HZ       LYS  39  -4.525   6.926 -15.487
  261   2HZ   LYS  39          2HZ       LYS  39  -6.164   6.757 -15.103
  262   3HZ   LYS  39          3HZ       LYS  39  -5.005   5.813 -14.301
  263    H    ASP  40           H        ASP  40  -6.857   4.871  -8.899
  264    HA   ASP  40           HA       ASP  40  -8.181   5.704  -6.401
  265   1HB   ASP  40          2HB       ASP  40  -9.068   3.656  -8.440
  266    H    TRP  41           H        TRP  41  -6.218   3.264  -7.919
  267    HA   TRP  41           HA       TRP  41  -6.020   1.865  -5.336
  268   1HB   TRP  41          2HB       TRP  41  -6.190   0.615  -8.086
  269    HD1  TRP  41           HD       TRP  41  -8.743   1.350  -8.357
  270    HE1  TRP  41           1HE      TRP  41 -10.903   0.528  -7.219
  271    HE3  TRP  41           3HE      TRP  41  -6.668  -1.143  -4.405
  272    HZ2  TRP  41           2HZ      TRP  41 -11.623  -0.979  -4.935
  273    HZ3  TRP  41           3HZ      TRP  41  -8.157  -2.242  -2.788
  274    HH2  TRP  41           HH       TRP  41 -10.584  -2.161  -3.049
  275    H    TRP  42           H        TRP  42  -4.004   1.504  -4.634
  276    HA   TRP  42           HA       TRP  42  -1.817   2.030  -6.532
  277   1HB   TRP  42          2HB       TRP  42  -2.136   2.809  -3.648
  278    HD1  TRP  42           HD       TRP  42  -2.663   3.885  -7.002
  279    HE1  TRP  42           1HE      TRP  42  -2.428   6.423  -7.294
  280    HE3  TRP  42           3HE      TRP  42  -0.254   4.983  -2.634
  281    HZ2  TRP  42           2HZ      TRP  42  -1.377   8.604  -5.851
  282    HZ3  TRP  42           3HZ      TRP  42   0.335   7.336  -2.163
  283    HH2  TRP  42           HH       TRP  42  -0.219   9.098  -3.746
  284    H    LYS  43           H        LYS  43  -0.321   0.535  -6.790
  285    HA   LYS  43           HA       LYS  43  -0.582  -1.990  -5.376
  286   1HB   LYS  43          2HB       LYS  43  -0.173  -1.764  -7.883
  287   1HG   LYS  43          2HG       LYS  43   1.825  -3.374  -6.305
  288   1HD   LYS  43          2HD       LYS  43   1.089  -3.393  -9.222
  289   1HE   LYS  43          2HE       LYS  43   0.976  -5.683  -8.619
  290   1HZ   LYS  43          1HZ       LYS  43   3.548  -5.362  -7.173
  291   2HZ   LYS  43          2HZ       LYS  43   2.647  -6.791  -7.338
  292   3HZ   LYS  43          3HZ       LYS  43   2.030  -5.504  -6.428
  293    H    VAL  44           H        VAL  44   0.460  -2.297  -3.529
  294    HA   VAL  44           HA       VAL  44   3.055  -0.973  -3.132
  295    HB   VAL  44           HB       VAL  44   2.444  -0.550  -0.761
  296   1HG1  VAL  44          1HG1      VAL  44   1.007   1.397  -1.179
  297   2HG1  VAL  44          2HG1      VAL  44   2.301   1.260  -2.369
  298   3HG1  VAL  44          3HG1      VAL  44   0.658   0.779  -2.795
  299   1HG2  VAL  44          1HG2      VAL  44  -0.344  -1.289  -1.654
  300   2HG2  VAL  44          2HG2      VAL  44   0.668  -2.218  -0.549
  301   3HG2  VAL  44          3HG2      VAL  44   0.097  -0.615  -0.085
  302    H    GLU  45           H        GLU  45   4.318  -1.927  -1.371
  303    HA   GLU  45           HA       GLU  45   3.584  -4.727  -0.842
  304   1HB   GLU  45          2HB       GLU  45   5.623  -4.532  -2.229
  305   1HG   GLU  45          2HG       GLU  45   6.209  -5.448   0.591
  306    H    VAL  46           H        VAL  46   3.142  -5.180   1.168
  307    HA   VAL  46           HA       VAL  46   4.050  -3.435   3.339
  308    HB   VAL  46           HB       VAL  46   2.614  -5.726   4.305
  309   1HG1  VAL  46          1HG1      VAL  46   1.102  -4.079   5.216
  310   2HG1  VAL  46          2HG1      VAL  46   2.757  -3.494   5.375
  311   3HG1  VAL  46          3HG1      VAL  46   1.714  -2.852   4.105
  312   1HG2  VAL  46          1HG2      VAL  46   0.441  -5.391   3.199
  313   2HG2  VAL  46          2HG2      VAL  46   1.201  -4.267   2.073
  314   3HG2  VAL  46          3HG2      VAL  46   1.673  -5.965   2.078
  315    H    ASN  47           H        ASN  47   4.321  -5.252   5.360
  316    HA   ASN  47           HA       ASN  47   6.689  -6.036   5.799
  317   1HB   ASN  47          2HB       ASN  47   5.765  -8.366   6.611
  318   1HD2  ASN  47          1HD2      ASN  47   3.166  -6.148   7.174
  319   2HD2  ASN  47          2HD2      ASN  47   1.919  -7.135   6.487
  320    H    ASP  48           H        ASP  48   4.768  -8.457   4.065
  321    HA   ASP  48           HA       ASP  48   7.098  -9.099   2.397
  322   1HB   ASP  48          2HB       ASP  48   5.436 -11.178   3.846
  323    H    ARG  49           H        ARG  49   4.350  -7.819   2.117
  324    HA   ARG  49           HA       ARG  49   3.107  -9.819   0.332
  325   1HB   ARG  49          2HB       ARG  49   1.662  -7.837   2.095
  326   1HG   ARG  49          2HG       ARG  49   2.648  -9.698   3.410
  327   1HD   ARG  49          2HD       ARG  49   1.151 -11.855   3.092
  328    HE   ARG  49           HE       ARG  49   3.714 -11.308   1.769
  329   1HH1  ARG  49          2HH1      ARG  49   1.476 -13.578   3.230
  330   2HH1  ARG  49          1HH1      ARG  49   2.639 -14.869   3.294
  331   1HH2  ARG  49          2HH2      ARG  49   5.225 -13.032   1.840
  332   2HH2  ARG  49          1HH2      ARG  49   4.741 -14.561   2.501
  333    H    GLN  50           H        GLN  50   2.956  -9.173  -1.700
  334    HA   GLN  50           HA       GLN  50   2.956  -6.292  -2.308
  335   1HB   GLN  50          2HB       GLN  50   3.608  -8.730  -3.967
  336   1HG   GLN  50          2HG       GLN  50   5.228  -6.254  -3.440
  337   1HE2  GLN  50          1HE2      GLN  50   4.635  -7.742  -5.961
  338   2HE2  GLN  50          2HE2      GLN  50   6.174  -8.294  -6.526
  339    H    GLY  51           H        GLY  51   1.038  -5.363  -2.779
  340   1HA   GLY  51          1HA       GLY  51  -0.913  -6.728  -4.386
  341   2HA   GLY  51          2HA       GLY  51  -1.380  -6.643  -2.694
  342    H    PHE  52           H        PHE  52  -3.125  -5.490  -4.103
  343    HA   PHE  52           HA       PHE  52  -2.475  -2.661  -4.447
  344   1HB   PHE  52          2HB       PHE  52  -4.871  -4.327  -5.215
  345    HD1  PHE  52           1HD      PHE  52  -3.542  -1.469  -7.059
  346    HD2  PHE  52           2HD      PHE  52  -3.522  -5.711  -6.657
  347    HE1  PHE  52           1HE      PHE  52  -2.492  -1.672  -9.275
  348    HE2  PHE  52           2HE      PHE  52  -2.470  -5.917  -8.873
  349    HZ   PHE  52           HZ       PHE  52  -1.967  -3.847 -10.194
  350    H    VAL  53           H        VAL  53  -3.338  -1.058  -3.285
  351    HA   VAL  53           HA       VAL  53  -5.456  -1.652  -1.344
  352    HB   VAL  53           HB       VAL  53  -4.421  -0.245   0.351
  353   1HG1  VAL  53          1HG1      VAL  53  -2.476  -2.326  -0.618
  354   2HG1  VAL  53          2HG1      VAL  53  -2.562  -1.662   1.012
  355   3HG1  VAL  53          3HG1      VAL  53  -3.894  -2.631   0.383
  356   1HG2  VAL  53          1HG2      VAL  53  -3.213   1.312  -1.027
  357   2HG2  VAL  53          2HG2      VAL  53  -2.089   0.541   0.095
  358   3HG2  VAL  53          3HG2      VAL  53  -2.134   0.034  -1.597
  359    HA   PRO  54           HA       PRO  54  -7.425   2.033  -2.862
  360   1HB   PRO  54          2HB       PRO  54  -7.725   2.869  -0.026
  361   1HG   PRO  54          2HG       PRO  54  -8.703   0.889   0.687
  362   1HD   PRO  54          2HD       PRO  54  -6.481   0.275   0.523
  363    H    ALA  55           H        ALA  55  -6.464   3.792  -3.658
  364    HA   ALA  55           HA       ALA  55  -4.085   4.907  -2.595
  365   1HB   ALA  55          1HB       ALA  55  -4.406   6.663  -4.280
  366   2HB   ALA  55          2HB       ALA  55  -4.613   5.047  -4.960
  367   3HB   ALA  55          3HB       ALA  55  -6.025   6.042  -4.600
  368    H    ALA  56           H        ALA  56  -7.402   5.384  -1.908
  369    HA   ALA  56           HA       ALA  56  -7.106   8.009  -0.737
  370   1HB   ALA  56          1HB       ALA  56  -9.198   7.279  -1.850
  371   2HB   ALA  56          2HB       ALA  56  -9.441   6.106  -0.553
  372   3HB   ALA  56          3HB       ALA  56  -9.445   7.836  -0.195
  373    H    TYR  57           H        TYR  57  -6.042   5.114   0.212
  374    HA   TYR  57           HA       TYR  57  -6.708   5.528   3.063
  375   1HB   TYR  57          2HB       TYR  57  -6.210   3.052   1.448
  376    HD1  TYR  57           1HD      TYR  57  -7.415   1.900   4.357
  377    HD2  TYR  57           2HD      TYR  57  -8.684   4.413   1.166
  378    HE1  TYR  57           1HE      TYR  57  -9.748   1.391   4.900
  379    HE2  TYR  57           2HE      TYR  57 -11.029   3.926   1.705
  380    HH   TYR  57           HH       TYR  57 -12.026   2.604   4.567
  381    H    VAL  58           H        VAL  58  -4.453   6.399   1.059
  382    HA   VAL  58           HA       VAL  58  -2.232   5.792   2.840
  383    HB   VAL  58           HB       VAL  58  -2.655   4.618   0.247
  384   1HG1  VAL  58          1HG1      VAL  58  -0.080   6.121   0.626
  385   2HG1  VAL  58          2HG1      VAL  58  -0.350   4.878  -0.594
  386   3HG1  VAL  58          3HG1      VAL  58  -1.283   6.372  -0.638
  387   1HG2  VAL  58          1HG2      VAL  58  -0.529   4.207   2.339
  388   2HG2  VAL  58          2HG2      VAL  58  -2.077   3.368   2.245
  389   3HG2  VAL  58          3HG2      VAL  58  -0.865   3.126   0.986
  390    H    LYS  59           H        LYS  59  -0.595   7.268   2.852
  391    HA   LYS  59           HA       LYS  59  -1.047   9.759   1.333
  392   1HB   LYS  59          2HB       LYS  59  -1.282  10.318   3.619
  393   1HG   LYS  59          2HG       LYS  59   1.613  10.775   2.927
  394   1HD   LYS  59          2HD       LYS  59   1.170  10.971   5.361
  395   1HE   LYS  59          2HE       LYS  59  -0.735  13.093   4.418
  396   1HZ   LYS  59          1HZ       LYS  59  -1.068  13.395   6.884
  397   2HZ   LYS  59          2HZ       LYS  59   0.377  14.016   6.256
  398   3HZ   LYS  59          3HZ       LYS  59   0.389  12.550   7.111
  399    H    LYS  60           H        LYS  60   0.592  10.661   0.222
  400    HA   LYS  60           HA       LYS  60   2.912   9.169  -0.414
  401   1HB   LYS  60          2HB       LYS  60   2.239  12.079  -0.846
  402   1HG   LYS  60          2HG       LYS  60   0.848  10.375  -2.026
  403   1HD   LYS  60          2HD       LYS  60   2.250   8.632  -2.644
  404   1HE   LYS  60          2HE       LYS  60   4.414   9.866  -2.308
  405   1HZ   LYS  60          1HZ       LYS  60   3.865  11.782  -3.755
  406   2HZ   LYS  60          2HZ       LYS  60   4.027  10.774  -5.108
  407   3HZ   LYS  60          3HZ       LYS  60   5.367  11.079  -4.114
  408    H    LEU  61           H        LEU  61   4.732   8.983   0.560
  409    HA   LEU  61           HA       LEU  61   5.496  11.067   2.509
  410   1HB   LEU  61          2HB       LEU  61   6.688   8.314   2.176
  411    HG   LEU  61           HG       LEU  61   4.459   7.990   3.059
  412   1HD1  LEU  61          1HD1      LEU  61   5.018   6.950   5.186
  413   2HD1  LEU  61          2HD1      LEU  61   6.274   6.647   3.985
  414   3HD1  LEU  61          3HD1      LEU  61   6.532   7.855   5.243
  415   1HD2  LEU  61          1HD2      LEU  61   5.203  10.138   5.043
  416   2HD2  LEU  61          2HD2      LEU  61   3.866  10.153   3.892
  417   3HD2  LEU  61          3HD2      LEU  61   3.842   9.038   5.258
  418    H    ASP  62           H        ASP  62   5.902  10.329  -0.616
  419    HA   ASP  62           HA       ASP  62   8.308  11.948  -0.789
  420   1HB   ASP  62          2HB       ASP  62   7.946   9.254  -2.127
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  19.828  -9.165  -0.898
    2   2H    MET   1          2H        MET   1  19.961  -7.825   0.131
    3   3H    MET   1          3H        MET   1  18.790  -7.838  -1.095
    4    HA   MET   1           HA       MET   1  17.682  -9.709  -0.015
    5   1HB   MET   1          2HB       MET   1  19.743  -9.181   2.134
    6   1HG   MET   1          2HG       MET   1  19.148 -11.717   0.633
    7   1HE   MET   1          1HE       MET   1  19.763 -12.938   4.323
    8   2HE   MET   1          2HE       MET   1  18.877 -11.490   3.845
    9   3HE   MET   1          3HE       MET   1  18.677 -12.987   2.935
   10    H    ASP   2           H        ASP   2  18.013  -6.593  -0.127
   11    HA   ASP   2           HA       ASP   2  16.159  -6.058   2.096
   12   1HB   ASP   2          2HB       ASP   2  18.328  -4.122   1.234
   13    H    GLU   3           H        GLU   3  14.253  -5.567   1.184
   14    HA   GLU   3           HA       GLU   3  14.252  -3.920  -1.249
   15   1HB   GLU   3          2HB       GLU   3  12.521  -6.009  -0.202
   16   1HG   GLU   3          2HG       GLU   3  13.463  -6.164  -2.405
   17    H    THR   4           H        THR   4  11.479  -3.103  -0.610
   18    HA   THR   4           HA       THR   4  10.404  -1.261   0.120
   19    HB   THR   4           HB       THR   4  10.774  -2.593   2.334
   20    HG1  THR   4           1HG      THR   4   9.283  -0.716   1.790
   21   1HG2  THR   4          1HG2      THR   4  11.939  -1.348   4.089
   22   2HG2  THR   4          2HG2      THR   4  12.472  -0.158   2.903
   23   3HG2  THR   4          3HG2      THR   4  13.059  -1.819   2.810
   24    H    GLY   5           H        GLY   5  13.157  -1.066  -1.078
   25   1HA   GLY   5          1HA       GLY   5  13.956   1.592  -0.116
   26   2HA   GLY   5          2HA       GLY   5  14.943   0.523  -1.102
   27    H    LYS   6           H        LYS   6  11.792   2.148  -1.264
   28    HA   LYS   6           HA       LYS   6  12.462   3.501  -3.683
   29   1HB   LYS   6          2HB       LYS   6  10.976   2.459  -5.215
   30   1HG   LYS   6          2HG       LYS   6  10.029   0.637  -3.017
   31   1HD   LYS   6          2HD       LYS   6   8.433  -0.091  -4.873
   32   1HE   LYS   6          2HE       LYS   6  10.120  -1.668  -5.862
   33   1HZ   LYS   6          1HZ       LYS   6   9.083  -2.389  -3.877
   34   2HZ   LYS   6          2HZ       LYS   6   9.985  -1.333  -2.920
   35   3HZ   LYS   6          3HZ       LYS   6  10.742  -2.659  -3.646
   36    H    GLU   7           H        GLU   7   9.731   3.903  -4.511
   37    HA   GLU   7           HA       GLU   7   8.994   6.071  -2.972
   38   1HB   GLU   7          2HB       GLU   7   7.155   4.266  -4.557
   39   1HG   GLU   7          2HG       GLU   7   7.249   6.188  -6.210
   40    H    LEU   8           H        LEU   8   7.820   6.398  -1.131
   41    HA   LEU   8           HA       LEU   8   6.715   4.000   0.173
   42   1HB   LEU   8          2HB       LEU   8   8.295   6.224   1.444
   43    HG   LEU   8           HG       LEU   8   9.621   4.445   0.316
   44   1HD1  LEU   8          1HD1      LEU   8  11.113   4.043   2.221
   45   2HD1  LEU   8          2HD1      LEU   8  10.551   5.714   2.178
   46   3HD1  LEU   8          3HD1      LEU   8   9.843   4.575   3.322
   47   1HD2  LEU   8          1HD2      LEU   8   9.717   2.227   1.373
   48   2HD2  LEU   8          2HD2      LEU   8   8.352   2.674   2.397
   49   3HD2  LEU   8          3HD2      LEU   8   8.142   2.558   0.650
   50    H    VAL   9           H        VAL   9   5.105   4.371   1.753
   51    HA   VAL   9           HA       VAL   9   3.699   6.924   1.674
   52    HB   VAL   9           HB       VAL   9   1.507   5.634   1.276
   53   1HG1  VAL   9          1HG1      VAL   9   1.733   5.868  -1.181
   54   2HG1  VAL   9          2HG1      VAL   9   2.264   7.281  -0.271
   55   3HG1  VAL   9          3HG1      VAL   9   3.456   6.173  -0.950
   56   1HG2  VAL   9          1HG2      VAL   9   2.419   3.387   1.375
   57   2HG2  VAL   9          2HG2      VAL   9   1.694   3.696  -0.202
   58   3HG2  VAL   9          3HG2      VAL   9   3.448   3.726  -0.019
   59    H    LEU  10           H        LEU  10   1.970   7.041   3.214
   60    HA   LEU  10           HA       LEU  10   2.401   5.270   5.522
   61   1HB   LEU  10          2HB       LEU  10   2.787   7.590   6.034
   62    HG   LEU  10           HG       LEU  10   0.144   6.632   7.102
   63   1HD1  LEU  10          1HD1      LEU  10   1.414   6.373   9.174
   64   2HD1  LEU  10          2HD1      LEU  10   2.114   5.432   7.855
   65   3HD1  LEU  10          3HD1      LEU  10   2.866   6.947   8.353
   66   1HD2  LEU  10          1HD2      LEU  10   0.252   8.486   8.714
   67   2HD2  LEU  10          2HD2      LEU  10   1.607   9.166   7.810
   68   3HD2  LEU  10          3HD2      LEU  10   0.017   9.037   7.055
   69    H    ALA  11           H        ALA  11   0.759   4.021   6.267
   70    HA   ALA  11           HA       ALA  11  -1.714   3.982   4.762
   71   1HB   ALA  11          1HB       ALA  11  -0.919   2.296   7.143
   72   2HB   ALA  11          2HB       ALA  11  -2.248   1.988   6.025
   73   3HB   ALA  11          3HB       ALA  11  -0.579   1.886   5.459
   74    H    LEU  12           H        LEU  12  -3.298   5.366   5.278
   75    HA   LEU  12           HA       LEU  12  -3.411   6.688   7.807
   76   1HB   LEU  12          2HB       LEU  12  -5.118   6.731   5.342
   77    HG   LEU  12           HG       LEU  12  -3.494   8.849   6.732
   78   1HD1  LEU  12          1HD1      LEU  12  -2.275   8.961   4.626
   79   2HD1  LEU  12          2HD1      LEU  12  -2.171   7.363   5.364
   80   3HD1  LEU  12          3HD1      LEU  12  -3.253   7.634   3.996
   81   1HD2  LEU  12          1HD2      LEU  12  -4.255  10.345   4.913
   82   2HD2  LEU  12          2HD2      LEU  12  -5.369   9.084   4.382
   83   3HD2  LEU  12          3HD2      LEU  12  -5.574   9.832   5.968
   84    H    TYR  13           H        TYR  13  -5.182   4.037   6.319
   85    HA   TYR  13           HA       TYR  13  -6.737   3.778   8.808
   86   1HB   TYR  13          2HB       TYR  13  -7.903   3.072   6.123
   87    HD1  TYR  13           1HD      TYR  13  -8.844   5.675   8.565
   88    HD2  TYR  13           2HD      TYR  13  -7.626   4.837   4.581
   89    HE1  TYR  13           1HE      TYR  13  -9.324   8.002   7.941
   90    HE2  TYR  13           2HE      TYR  13  -8.095   7.165   3.941
   91    HH   TYR  13           HH       TYR  13  -9.369   9.043   4.645
   92    H    ASP  14           H        ASP  14  -7.742   1.522   8.946
   93    HA   ASP  14           HA       ASP  14  -5.832  -0.465   8.036
   94   1HB   ASP  14          2HB       ASP  14  -7.279  -2.074   9.359
   95    H    TYR  15           H        TYR  15  -6.262  -1.983   6.547
   96    HA   TYR  15           HA       TYR  15  -8.883  -1.921   5.237
   97   1HB   TYR  15          2HB       TYR  15  -7.466  -0.437   3.929
   98    HD1  TYR  15           1HD      TYR  15  -6.142  -3.000   1.942
   99    HD2  TYR  15           2HD      TYR  15  -9.829  -1.172   3.003
  100    HE1  TYR  15           1HE      TYR  15  -7.143  -3.829  -0.139
  101    HE2  TYR  15           2HE      TYR  15 -10.849  -2.009   0.928
  102    HH   TYR  15           HH       TYR  15 -10.152  -2.746  -1.297
  103    H    GLN  16           H        GLN  16  -9.552  -3.829   4.391
  104    HA   GLN  16           HA       GLN  16  -7.861  -6.175   4.984
  105   1HB   GLN  16          2HB       GLN  16  -9.957  -6.108   6.249
  106   1HG   GLN  16          2HG       GLN  16 -11.116  -8.157   5.438
  107   1HE2  GLN  16          1HE2      GLN  16  -9.070  -7.223   7.287
  108   2HE2  GLN  16          2HE2      GLN  16  -8.026  -8.579   7.559
  109    H    GLU  17           H        GLU  17  -7.156  -7.336   3.326
  110    HA   GLU  17           HA       GLU  17  -7.547  -6.652   0.645
  111   1HB   GLU  17          2HB       GLU  17  -6.428  -8.783   0.139
  112   1HG   GLU  17          2HG       GLU  17  -6.944  -9.373   3.032
  113    H    LYS  18           H        LYS  18  -8.689  -7.665  -1.049
  114    HA   LYS  18           HA       LYS  18 -11.146  -9.007  -0.180
  115   1HB   LYS  18          2HB       LYS  18 -10.442  -7.926  -2.926
  116   1HG   LYS  18          2HG       LYS  18 -12.214  -6.685  -0.818
  117   1HD   LYS  18          2HD       LYS  18 -11.583  -5.845  -3.650
  118   1HE   LYS  18          2HE       LYS  18 -11.512  -3.919  -2.136
  119   1HZ   LYS  18          1HZ       LYS  18 -13.523  -3.253  -0.976
  120   2HZ   LYS  18          2HZ       LYS  18 -12.941  -4.727  -0.371
  121   3HZ   LYS  18          3HZ       LYS  18 -14.283  -4.703  -1.411
  122    H    SER  19           H        SER  19  -8.491  -9.310  -2.478
  123    HA   SER  19           HA       SER  19  -8.667 -12.222  -2.266
  124   1HB   SER  19          2HB       SER  19  -8.372 -10.642  -4.846
  125    HG   SER  19           HG       SER  19 -10.499 -10.787  -4.576
  126    HA   PRO  20           HA       PRO  20  -4.234 -12.230  -1.812
  127   1HB   PRO  20          2HB       PRO  20  -3.951 -13.510  -4.501
  128   1HG   PRO  20          2HG       PRO  20  -5.283 -15.337  -3.875
  129   1HD   PRO  20          2HD       PRO  20  -6.742 -13.623  -4.458
  130    H    ALA  21           H        ALA  21  -5.527 -10.920  -4.762
  131    HA   ALA  21           HA       ALA  21  -3.154  -9.638  -5.680
  132   1HB   ALA  21          1HB       ALA  21  -6.039  -8.983  -6.257
  133   2HB   ALA  21          2HB       ALA  21  -4.641  -8.356  -7.134
  134   3HB   ALA  21          3HB       ALA  21  -5.015 -10.080  -7.187
  135    H    GLU  22           H        GLU  22  -5.554  -8.904  -3.308
  136    HA   GLU  22           HA       GLU  22  -4.501  -6.183  -2.969
  137   1HB   GLU  22          2HB       GLU  22  -6.921  -7.537  -1.747
  138   1HG   GLU  22          2HG       GLU  22  -8.179  -5.686  -2.820
  139    H    VAL  23           H        VAL  23  -3.870  -5.508  -0.783
  140    HA   VAL  23           HA       VAL  23  -3.167  -7.810   0.918
  141    HB   VAL  23           HB       VAL  23  -1.162  -6.476   1.701
  142   1HG1  VAL  23          1HG1      VAL  23  -1.254  -7.506  -1.126
  143   2HG1  VAL  23          2HG1      VAL  23   0.224  -7.192  -0.214
  144   3HG1  VAL  23          3HG1      VAL  23  -0.906  -8.430   0.335
  145   1HG2  VAL  23          1HG2      VAL  23  -0.243  -4.839   0.126
  146   2HG2  VAL  23          2HG2      VAL  23  -1.715  -4.953  -0.841
  147   3HG2  VAL  23          3HG2      VAL  23  -1.784  -4.311   0.801
  148    H    THR  24           H        THR  24  -3.148  -7.505   3.124
  149    HA   THR  24           HA       THR  24  -5.017  -5.465   4.022
  150    HB   THR  24           HB       THR  24  -3.796  -7.813   5.483
  151    HG1  THR  24           1HG      THR  24  -5.209  -8.668   4.065
  152   1HG2  THR  24          1HG2      THR  24  -6.089  -6.054   6.337
  153   2HG2  THR  24          2HG2      THR  24  -4.453  -5.953   6.985
  154   3HG2  THR  24          3HG2      THR  24  -5.407  -7.413   7.231
  155    H    MET  25           H        MET  25  -4.498  -3.779   5.325
  156    HA   MET  25           HA       MET  25  -1.750  -3.588   6.342
  157   1HB   MET  25          2HB       MET  25  -1.602  -1.248   5.623
  158   1HG   MET  25          2HG       MET  25  -4.092  -1.699   3.995
  159   1HE   MET  25          1HE       MET  25  -2.424  -0.882   1.897
  160   2HE   MET  25          2HE       MET  25  -1.514   0.626   1.970
  161   3HE   MET  25          3HE       MET  25  -1.083  -0.716   3.033
  162    H    LYS  26           H        LYS  26  -1.506  -2.006   8.077
  163    HA   LYS  26           HA       LYS  26  -4.067  -1.343   9.367
  164   1HB   LYS  26          2HB       LYS  26  -1.458  -1.870  10.812
  165   1HG   LYS  26          2HG       LYS  26  -2.947  -3.785  11.826
  166   1HD   LYS  26          2HD       LYS  26  -1.901  -5.360  10.287
  167   1HE   LYS  26          2HE       LYS  26  -0.358  -3.014  11.294
  168   1HZ   LYS  26          1HZ       LYS  26   0.845  -5.250   9.746
  169   2HZ   LYS  26          2HZ       LYS  26   1.705  -4.110  10.663
  170   3HZ   LYS  26          3HZ       LYS  26   0.829  -3.610   9.299
  171    H    LYS  27           H        LYS  27  -4.221   0.761  10.236
  172    HA   LYS  27           HA       LYS  27  -2.670   2.704   9.001
  173   1HB   LYS  27          2HB       LYS  27  -3.630   4.353  10.519
  174   1HG   LYS  27          2HG       LYS  27  -3.609   2.816  12.513
  175   1HD   LYS  27          2HD       LYS  27  -6.147   1.945  11.161
  176   1HE   LYS  27          2HE       LYS  27  -5.198   1.313  13.953
  177   1HZ   LYS  27          1HZ       LYS  27  -7.573   0.463  12.393
  178   2HZ   LYS  27          2HZ       LYS  27  -7.531   0.405  14.088
  179   3HZ   LYS  27          3HZ       LYS  27  -6.426  -0.512  13.184
  180    H    GLY  28           H        GLY  28  -0.953   3.926   9.643
  181   1HA   GLY  28          1HA       GLY  28   0.844   4.494  11.085
  182   2HA   GLY  28          2HA       GLY  28   0.451   3.094  12.079
  183    H    ASP  29           H        ASP  29   0.251   1.833   9.142
  184    HA   ASP  29           HA       ASP  29   2.900   0.695   9.208
  185   1HB   ASP  29          2HB       ASP  29   0.427   0.195   7.598
  186    H    ILE  30           H        ILE  30   4.485   0.937   7.667
  187    HA   ILE  30           HA       ILE  30   4.124   3.170   5.806
  188    HB   ILE  30           HB       ILE  30   6.630   1.946   6.971
  189   1HG1  ILE  30          2HG1      ILE  30   7.120   4.296   7.604
  190   1HG2  ILE  30          1HG2      ILE  30   6.457   3.884   4.668
  191   2HG2  ILE  30          2HG2      ILE  30   7.937   3.440   5.521
  192   3HG2  ILE  30          3HG2      ILE  30   7.050   2.223   4.605
  193   1HD1  ILE  30          1HD1      ILE  30   4.418   3.411   8.596
  194   2HD1  ILE  30          2HD1      ILE  30   5.982   2.961   9.281
  195   3HD1  ILE  30          3HD1      ILE  30   5.450   4.642   9.331
  196    H    LEU  31           H        LEU  31   3.610   2.621   3.853
  197    HA   LEU  31           HA       LEU  31   4.093  -0.114   2.949
  198   1HB   LEU  31          2HB       LEU  31   2.166   2.035   2.219
  199    HG   LEU  31           HG       LEU  31   0.476   0.360   2.290
  200   1HD1  LEU  31          1HD1      LEU  31   0.944  -1.986   2.681
  201   2HD1  LEU  31          2HD1      LEU  31   1.706  -1.420   1.195
  202   3HD1  LEU  31          3HD1      LEU  31   2.675  -1.657   2.650
  203   1HD2  LEU  31          1HD2      LEU  31   1.092   1.216   4.464
  204   2HD2  LEU  31          2HD2      LEU  31   0.667  -0.490   4.589
  205   3HD2  LEU  31          3HD2      LEU  31   2.361   0.001   4.613
  206    H    THR  32           H        THR  32   5.068  -0.589   1.029
  207    HA   THR  32           HA       THR  32   6.743   1.506  -0.120
  208    HB   THR  32           HB       THR  32   6.751  -1.458  -0.711
  209    HG1  THR  32           1HG      THR  32   7.287  -0.507   1.559
  210   1HG2  THR  32          1HG2      THR  32   7.821  -0.114  -2.419
  211   2HG2  THR  32          2HG2      THR  32   9.045  -0.982  -1.489
  212   3HG2  THR  32          3HG2      THR  32   8.765   0.736  -1.191
  213    H    LEU  33           H        LEU  33   6.184   2.459  -1.985
  214    HA   LEU  33           HA       LEU  33   3.817   1.547  -3.363
  215   1HB   LEU  33          2HB       LEU  33   5.427   3.996  -3.326
  216    HG   LEU  33           HG       LEU  33   3.190   4.023  -2.376
  217   1HD1  LEU  33          1HD1      LEU  33   2.332   5.972  -3.548
  218   2HD1  LEU  33          2HD1      LEU  33   4.088   6.062  -3.411
  219   3HD1  LEU  33          3HD1      LEU  33   3.345   5.599  -4.942
  220   1HD2  LEU  33          1HD2      LEU  33   2.309   3.265  -5.158
  221   2HD2  LEU  33          2HD2      LEU  33   2.124   2.306  -3.692
  222   3HD2  LEU  33          3HD2      LEU  33   1.229   3.812  -3.878
  223    H    LEU  34           H        LEU  34   3.733   0.397  -5.113
  224    HA   LEU  34           HA       LEU  34   6.245  -0.238  -6.504
  225   1HB   LEU  34          2HB       LEU  34   3.630  -1.733  -6.596
  226    HG   LEU  34           HG       LEU  34   4.499  -1.769  -4.269
  227   1HD1  LEU  34          1HD1      LEU  34   3.224  -3.631  -5.086
  228   2HD1  LEU  34          2HD1      LEU  34   4.659  -4.344  -5.823
  229   3HD1  LEU  34          3HD1      LEU  34   4.535  -4.221  -4.065
  230   1HD2  LEU  34          1HD2      LEU  34   6.587  -3.031  -3.843
  231   2HD2  LEU  34          2HD2      LEU  34   6.919  -3.004  -5.574
  232   3HD2  LEU  34          3HD2      LEU  34   6.858  -1.494  -4.662
  233    H    ASN  35           H        ASN  35   2.771   0.177  -7.130
  234    HA   ASN  35           HA       ASN  35   3.409   1.660  -9.566
  235   1HB   ASN  35          2HB       ASN  35   2.935  -0.721 -10.177
  236   1HD2  ASN  35          1HD2      ASN  35   3.376   0.151 -12.139
  237   2HD2  ASN  35          2HD2      ASN  35   2.161   0.838 -13.161
  238    H    SER  36           H        SER  36   2.608   3.583  -9.062
  239    HA   SER  36           HA       SER  36  -0.065   3.718  -7.847
  240   1HB   SER  36          2HB       SER  36   0.801   5.971  -6.980
  241    HG   SER  36           HG       SER  36   2.698   6.399  -7.850
  242    H    THR  37           H        THR  37   0.726   3.673 -10.732
  243    HA   THR  37           HA       THR  37   0.242   6.359 -11.658
  244    HB   THR  37           HB       THR  37   1.597   4.594 -12.919
  245    HG1  THR  37           1HG      THR  37  -0.325   5.612 -14.680
  246   1HG2  THR  37          1HG2      THR  37  -0.018   2.759 -12.808
  247   2HG2  THR  37          2HG2      THR  37   0.340   3.180 -14.481
  248   3HG2  THR  37          3HG2      THR  37  -1.172   3.708 -13.746
  249    H    ASN  38           H        ASN  38  -1.640   3.890 -10.447
  250    HA   ASN  38           HA       ASN  38  -4.049   4.560 -11.927
  251   1HB   ASN  38          2HB       ASN  38  -3.491   2.212 -11.140
  252   1HD2  ASN  38          1HD2      ASN  38  -5.131   0.701 -11.013
  253   2HD2  ASN  38          2HD2      ASN  38  -6.811   1.146 -10.989
  254    H    LYS  39           H        LYS  39  -5.855   5.598 -10.891
  255    HA   LYS  39           HA       LYS  39  -4.883   7.571  -8.981
  256   1HB   LYS  39          2HB       LYS  39  -7.432   7.526 -10.562
  257   1HG   LYS  39          2HG       LYS  39  -5.011   9.205 -11.137
  258   1HD   LYS  39          2HD       LYS  39  -7.467   8.575 -12.767
  259   1HE   LYS  39          2HE       LYS  39  -5.259  10.553 -13.312
  260   1HZ   LYS  39          1HZ       LYS  39  -7.479  11.028 -14.267
  261   2HZ   LYS  39          2HZ       LYS  39  -7.410   9.553 -15.100
  262   3HZ   LYS  39          3HZ       LYS  39  -6.283  10.773 -15.443
  263    H    ASP  40           H        ASP  40  -6.848   4.779  -9.013
  264    HA   ASP  40           HA       ASP  40  -8.105   5.624  -6.484
  265   1HB   ASP  40          2HB       ASP  40  -9.079   3.626  -8.528
  266    H    TRP  41           H        TRP  41  -6.248   3.108  -8.051
  267    HA   TRP  41           HA       TRP  41  -6.051   1.746  -5.446
  268   1HB   TRP  41          2HB       TRP  41  -6.078   0.465  -8.186
  269    HD1  TRP  41           HD       TRP  41  -8.601   1.139  -8.686
  270    HE1  TRP  41           1HE      TRP  41 -10.835   0.325  -7.693
  271    HE3  TRP  41           3HE      TRP  41  -6.817  -1.162  -4.484
  272    HZ2  TRP  41           2HZ      TRP  41 -11.718  -1.090  -5.411
  273    HZ3  TRP  41           3HZ      TRP  41  -8.422  -2.219  -2.943
  274    HH2  TRP  41           HH       TRP  41 -10.822  -2.183  -3.398
  275    H    TRP  42           H        TRP  42  -4.055   1.492  -4.672
  276    HA   TRP  42           HA       TRP  42  -1.832   1.959  -6.541
  277   1HB   TRP  42          2HB       TRP  42  -2.193   2.792  -3.676
  278    HD1  TRP  42           HD       TRP  42  -2.768   3.861  -7.016
  279    HE1  TRP  42           1HE      TRP  42  -2.475   6.390  -7.345
  280    HE3  TRP  42           3HE      TRP  42  -0.222   4.917  -2.740
  281    HZ2  TRP  42           2HZ      TRP  42  -1.304   8.554  -5.948
  282    HZ3  TRP  42           3HZ      TRP  42   0.463   7.234  -2.304
  283    HH2  TRP  42           HH       TRP  42  -0.073   9.018  -3.874
  284    H    LYS  43           H        LYS  43  -0.459   0.386  -6.832
  285    HA   LYS  43           HA       LYS  43  -0.703  -2.089  -5.364
  286   1HB   LYS  43          2HB       LYS  43  -0.243  -1.886  -7.856
  287   1HG   LYS  43          2HG       LYS  43   1.781  -3.465  -6.272
  288   1HD   LYS  43          2HD       LYS  43   0.876  -3.674  -9.137
  289   1HE   LYS  43          2HE       LYS  43   1.164  -5.902  -8.236
  290   1HZ   LYS  43          1HZ       LYS  43   2.591  -5.452  -6.368
  291   2HZ   LYS  43          2HZ       LYS  43   3.856  -4.983  -7.392
  292   3HZ   LYS  43          3HZ       LYS  43   3.321  -6.591  -7.385
  293    H    VAL  44           H        VAL  44   0.326  -2.434  -3.493
  294    HA   VAL  44           HA       VAL  44   2.869  -1.025  -3.041
  295    HB   VAL  44           HB       VAL  44   2.208  -0.723  -0.648
  296   1HG1  VAL  44          1HG1      VAL  44   0.807   1.240  -1.034
  297   2HG1  VAL  44          2HG1      VAL  44   2.082   1.132  -2.247
  298   3HG1  VAL  44          3HG1      VAL  44   0.433   0.664  -2.660
  299   1HG2  VAL  44          1HG2      VAL  44  -0.532  -1.461  -1.671
  300   2HG2  VAL  44          2HG2      VAL  44   0.449  -2.414  -0.560
  301   3HG2  VAL  44          3HG2      VAL  44  -0.163  -0.835  -0.062
  302    H    GLU  45           H        GLU  45   4.063  -1.878  -1.170
  303    HA   GLU  45           HA       GLU  45   3.831  -4.809  -0.954
  304   1HB   GLU  45          2HB       GLU  45   5.723  -4.118  -2.357
  305   1HG   GLU  45          2HG       GLU  45   6.823  -4.927   0.322
  306    H    VAL  46           H        VAL  46   3.379  -5.454   1.069
  307    HA   VAL  46           HA       VAL  46   4.421  -3.837   3.314
  308    HB   VAL  46           HB       VAL  46   2.493  -5.624   4.327
  309   1HG1  VAL  46          1HG1      VAL  46   1.522  -3.691   5.237
  310   2HG1  VAL  46          2HG1      VAL  46   3.253  -3.358   5.117
  311   3HG1  VAL  46          3HG1      VAL  46   2.135  -2.672   3.934
  312   1HG2  VAL  46          1HG2      VAL  46   1.525  -5.815   2.132
  313   2HG2  VAL  46          2HG2      VAL  46   0.458  -4.886   3.183
  314   3HG2  VAL  46          3HG2      VAL  46   1.449  -4.059   1.979
  315    H    ASN  47           H        ASN  47   6.206  -4.773   3.931
  316    HA   ASN  47           HA       ASN  47   7.588  -6.182   5.018
  317   1HB   ASN  47          2HB       ASN  47   5.100  -7.856   5.438
  318   1HD2  ASN  47          1HD2      ASN  47   3.769  -6.235   6.148
  319   2HD2  ASN  47          2HD2      ASN  47   4.088  -5.302   7.571
  320    H    ASP  48           H        ASP  48   5.367  -8.096   3.035
  321    HA   ASP  48           HA       ASP  48   7.464  -9.060   1.355
  322   1HB   ASP  48          2HB       ASP  48   6.945 -11.452   1.782
  323    H    ARG  49           H        ARG  49   4.319  -8.268   2.030
  324    HA   ARG  49           HA       ARG  49   3.219  -9.956  -0.097
  325   1HB   ARG  49          2HB       ARG  49   1.832  -8.372   2.072
  326   1HG   ARG  49          2HG       ARG  49   2.954 -10.426   2.885
  327   1HD   ARG  49          2HD       ARG  49   1.654 -12.564   2.226
  328    HE   ARG  49           HE       ARG  49   4.091 -11.938   1.490
  329   1HH1  ARG  49          2HH1      ARG  49   1.391 -12.718  -0.624
  330   2HH1  ARG  49          1HH1      ARG  49   2.368 -13.575  -1.781
  331   1HH2  ARG  49          2HH2      ARG  49   5.378 -13.080  -0.035
  332   2HH2  ARG  49          1HH2      ARG  49   4.633 -13.795  -1.439
  333    H    GLN  50           H        GLN  50   3.168  -9.036  -2.010
  334    HA   GLN  50           HA       GLN  50   2.810  -6.142  -2.219
  335   1HB   GLN  50          2HB       GLN  50   3.648  -8.251  -4.206
  336   1HG   GLN  50          2HG       GLN  50   5.049  -5.805  -3.151
  337   1HE2  GLN  50          1HE2      GLN  50   7.598  -7.026  -3.594
  338   2HE2  GLN  50          2HE2      GLN  50   7.873  -7.029  -5.302
  339    H    GLY  51           H        GLY  51   0.875  -5.317  -2.632
  340   1HA   GLY  51          1HA       GLY  51  -1.023  -6.680  -4.319
  341   2HA   GLY  51          2HA       GLY  51  -1.476  -6.675  -2.620
  342    H    PHE  52           H        PHE  52  -3.175  -5.510  -4.262
  343    HA   PHE  52           HA       PHE  52  -2.607  -2.672  -4.466
  344   1HB   PHE  52          2HB       PHE  52  -4.933  -4.387  -5.328
  345    HD1  PHE  52           1HD      PHE  52  -3.676  -1.486  -7.124
  346    HD2  PHE  52           2HD      PHE  52  -3.404  -5.715  -6.668
  347    HE1  PHE  52           1HE      PHE  52  -2.536  -1.643  -9.299
  348    HE2  PHE  52           2HE      PHE  52  -2.252  -5.876  -8.841
  349    HZ   PHE  52           HZ       PHE  52  -1.793  -3.796 -10.144
  350    H    VAL  53           H        VAL  53  -3.581  -1.077  -3.375
  351    HA   VAL  53           HA       VAL  53  -5.751  -1.685  -1.508
  352    HB   VAL  53           HB       VAL  53  -4.765  -0.330   0.259
  353   1HG1  VAL  53          1HG1      VAL  53  -4.274  -2.722   0.260
  354   2HG1  VAL  53          2HG1      VAL  53  -2.818  -2.425  -0.686
  355   3HG1  VAL  53          3HG1      VAL  53  -2.948  -1.792   0.956
  356   1HG2  VAL  53          1HG2      VAL  53  -2.395  -0.058  -1.588
  357   2HG2  VAL  53          2HG2      VAL  53  -3.483   1.230  -1.064
  358   3HG2  VAL  53          3HG2      VAL  53  -2.423   0.441   0.107
  359    HA   PRO  54           HA       PRO  54  -7.566   2.108  -2.993
  360   1HB   PRO  54          2HB       PRO  54  -7.891   2.867  -0.130
  361   1HG   PRO  54          2HG       PRO  54  -9.020   0.917   0.458
  362   1HD   PRO  54          2HD       PRO  54  -6.803   0.235   0.373
  363    H    ALA  55           H        ALA  55  -6.552   3.889  -3.697
  364    HA   ALA  55           HA       ALA  55  -4.112   4.833  -2.588
  365   1HB   ALA  55          1HB       ALA  55  -4.658   5.073  -4.950
  366   2HB   ALA  55          2HB       ALA  55  -5.984   6.163  -4.542
  367   3HB   ALA  55          3HB       ALA  55  -4.317   6.641  -4.220
  368    H    ALA  56           H        ALA  56  -7.435   5.526  -1.963
  369    HA   ALA  56           HA       ALA  56  -7.052   8.081  -0.726
  370   1HB   ALA  56          1HB       ALA  56  -9.352   7.883  -0.023
  371   2HB   ALA  56          2HB       ALA  56  -9.208   7.355  -1.700
  372   3HB   ALA  56          3HB       ALA  56  -9.359   6.161  -0.408
  373    H    TYR  57           H        TYR  57  -6.139   5.043   0.197
  374    HA   TYR  57           HA       TYR  57  -6.657   5.505   3.059
  375   1HB   TYR  57          2HB       TYR  57  -6.177   3.033   1.430
  376    HD1  TYR  57           1HD      TYR  57  -7.339   1.940   4.404
  377    HD2  TYR  57           2HD      TYR  57  -8.655   4.334   1.136
  378    HE1  TYR  57           1HE      TYR  57  -9.667   1.438   4.984
  379    HE2  TYR  57           2HE      TYR  57 -10.991   3.845   1.713
  380    HH   TYR  57           HH       TYR  57 -11.846   2.260   4.696
  381    H    VAL  58           H        VAL  58  -4.410   6.353   1.015
  382    HA   VAL  58           HA       VAL  58  -2.171   5.779   2.801
  383    HB   VAL  58           HB       VAL  58  -2.643   4.568   0.251
  384   1HG1  VAL  58          1HG1      VAL  58  -1.430   6.323  -0.793
  385   2HG1  VAL  58          2HG1      VAL  58  -0.148   6.228   0.416
  386   3HG1  VAL  58          3HG1      VAL  58  -0.389   4.903  -0.721
  387   1HG2  VAL  58          1HG2      VAL  58  -0.372   4.298   2.203
  388   2HG2  VAL  58          2HG2      VAL  58  -1.881   3.386   2.218
  389   3HG2  VAL  58          3HG2      VAL  58  -0.743   3.180   0.888
  390    H    LYS  59           H        LYS  59  -0.494   7.318   2.727
  391    HA   LYS  59           HA       LYS  59  -1.002   9.702   1.060
  392   1HB   LYS  59          2HB       LYS  59  -1.617   9.980   3.519
  393   1HG   LYS  59          2HG       LYS  59   0.382  11.753   2.181
  394   1HD   LYS  59          2HD       LYS  59  -0.005  13.408   3.985
  395   1HE   LYS  59          2HE       LYS  59   1.247  10.909   5.092
  396   1HZ   LYS  59          1HZ       LYS  59   1.997  13.772   5.333
  397   2HZ   LYS  59          2HZ       LYS  59   2.812  12.468   6.043
  398   3HZ   LYS  59          3HZ       LYS  59   1.237  12.851   6.538
  399    H    LYS  60           H        LYS  60   0.737  10.529   0.022
  400    HA   LYS  60           HA       LYS  60   3.093   9.109  -0.327
  401   1HB   LYS  60          2HB       LYS  60   2.450  12.014  -0.787
  402   1HG   LYS  60          2HG       LYS  60   1.425  10.062  -2.163
  403   1HD   LYS  60          2HD       LYS  60   2.666   9.068  -3.810
  404   1HE   LYS  60          2HE       LYS  60   4.807   9.623  -1.755
  405   1HZ   LYS  60          1HZ       LYS  60   5.409   8.623  -4.049
  406   2HZ   LYS  60          2HZ       LYS  60   4.745   7.208  -3.404
  407   3HZ   LYS  60          3HZ       LYS  60   6.057   7.956  -2.630
  408    H    LEU  61           H        LEU  61   4.856   8.807   0.880
  409    HA   LEU  61           HA       LEU  61   5.573  10.789   2.918
  410   1HB   LEU  61          2HB       LEU  61   6.718   8.065   2.299
  411    HG   LEU  61           HG       LEU  61   4.556   7.961   3.547
  412   1HD1  LEU  61          1HD1      LEU  61   7.015   7.125   5.082
  413   2HD1  LEU  61          2HD1      LEU  61   5.391   6.460   5.269
  414   3HD1  LEU  61          3HD1      LEU  61   6.274   6.226   3.761
  415   1HD2  LEU  61          1HD2      LEU  61   6.149   9.497   5.599
  416   2HD2  LEU  61          2HD2      LEU  61   4.651  10.000   4.820
  417   3HD2  LEU  61          3HD2      LEU  61   4.645   8.643   5.943
  418    H    ASP  62           H        ASP  62   6.159  10.161  -0.289
  419    HA   ASP  62           HA       ASP  62   8.596  11.758  -0.239
  420   1HB   ASP  62          2HB       ASP  62   9.798  10.343  -1.736
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  13.037  -9.298  -0.907
    2   2H    MET   1          2H        MET   1  13.697 -10.757  -0.346
    3   3H    MET   1          3H        MET   1  14.190  -9.283   0.336
    4    HA   MET   1           HA       MET   1  11.423 -10.327   0.466
    5   1HB   MET   1          2HB       MET   1  13.635 -10.423   2.529
    6   1HG   MET   1          2HG       MET   1  12.038 -12.652   1.287
    7   1HE   MET   1          1HE       MET   1  12.689 -15.165   1.835
    8   2HE   MET   1          2HE       MET   1  14.379 -14.793   1.483
    9   3HE   MET   1          3HE       MET   1  13.950 -15.617   2.983
   10    H    ASP   2           H        ASP   2  12.926  -7.654  -0.032
   11    HA   ASP   2           HA       ASP   2  11.134  -5.955   1.330
   12   1HB   ASP   2          2HB       ASP   2  12.584  -6.487   3.266
   13    H    GLU   3           H        GLU   3  10.865  -4.422  -0.201
   14    HA   GLU   3           HA       GLU   3  13.309  -3.335  -1.460
   15   1HB   GLU   3          2HB       GLU   3  10.626  -3.908  -2.715
   16   1HG   GLU   3          2HG       GLU   3  13.431  -4.723  -3.372
   17    H    THR   4           H        THR   4  12.447  -2.266   0.859
   18    HA   THR   4           HA       THR   4  10.405  -0.273   0.441
   19    HB   THR   4           HB       THR   4  11.046   0.467   2.779
   20    HG1  THR   4           1HG      THR   4  12.556  -1.949   2.875
   21   1HG2  THR   4          1HG2      THR   4   9.190  -1.081   2.449
   22   2HG2  THR   4          2HG2      THR   4  10.091  -1.490   3.906
   23   3HG2  THR   4          3HG2      THR   4  10.305  -2.447   2.444
   24    H    GLY   5           H        GLY   5  12.914  -0.180  -1.135
   25   1HA   GLY   5          1HA       GLY   5  14.004   2.417  -0.284
   26   2HA   GLY   5          2HA       GLY   5  14.780   1.305  -1.404
   27    H    LYS   6           H        LYS   6  11.420   2.388  -1.399
   28    HA   LYS   6           HA       LYS   6  11.915   3.902  -3.869
   29   1HB   LYS   6          2HB       LYS   6   9.486   2.135  -3.388
   30   1HG   LYS   6          2HG       LYS   6  11.667   1.607  -5.414
   31   1HD   LYS   6          2HD       LYS   6   9.061   0.203  -4.844
   32   1HE   LYS   6          2HE       LYS   6   9.699  -1.116  -6.880
   33   1HZ   LYS   6          1HZ       LYS   6   9.926  -2.060  -4.657
   34   2HZ   LYS   6          2HZ       LYS   6  11.495  -1.445  -4.542
   35   3HZ   LYS   6          3HZ       LYS   6  11.135  -2.631  -5.693
   36    H    GLU   7           H        GLU   7   9.347   4.826  -4.239
   37    HA   GLU   7           HA       GLU   7   9.070   6.826  -2.267
   38   1HB   GLU   7          2HB       GLU   7   6.995   5.867  -4.260
   39   1HG   GLU   7          2HG       GLU   7   7.659   8.141  -5.333
   40    H    LEU   8           H        LEU   8   8.401   6.537  -0.255
   41    HA   LEU   8           HA       LEU   8   6.805   4.192   0.371
   42   1HB   LEU   8          2HB       LEU   8   8.239   6.163   2.141
   43    HG   LEU   8           HG       LEU   8   9.684   4.519   0.962
   44   1HD1  LEU   8          1HD1      LEU   8  10.397   5.410   3.094
   45   2HD1  LEU   8          2HD1      LEU   8   9.454   4.187   3.949
   46   3HD1  LEU   8          3HD1      LEU   8  10.845   3.709   2.974
   47   1HD2  LEU   8          1HD2      LEU   8   9.573   2.167   1.609
   48   2HD2  LEU   8          2HD2      LEU   8   8.098   2.494   2.519
   49   3HD2  LEU   8          3HD2      LEU   8   8.113   2.686   0.765
   50    H    VAL   9           H        VAL   9   4.996   4.273   1.681
   51    HA   VAL   9           HA       VAL   9   3.575   6.841   1.778
   52    HB   VAL   9           HB       VAL   9   1.439   5.493   1.275
   53   1HG1  VAL   9          1HG1      VAL   9   1.613   5.937  -1.080
   54   2HG1  VAL   9          2HG1      VAL   9   2.389   7.233  -0.173
   55   3HG1  VAL   9          3HG1      VAL   9   3.373   6.005  -0.973
   56   1HG2  VAL   9          1HG2      VAL   9   3.477   3.697  -0.024
   57   2HG2  VAL   9          2HG2      VAL   9   2.446   3.281   1.346
   58   3HG2  VAL   9          3HG2      VAL   9   1.728   3.602  -0.231
   59    H    LEU  10           H        LEU  10   1.873   6.926   3.280
   60    HA   LEU  10           HA       LEU  10   2.291   5.146   5.583
   61   1HB   LEU  10          2HB       LEU  10   2.694   7.525   5.989
   62    HG   LEU  10           HG       LEU  10   0.221   6.438   7.301
   63   1HD1  LEU  10          1HD1      LEU  10   2.263   5.344   7.924
   64   2HD1  LEU  10          2HD1      LEU  10   3.050   6.894   8.231
   65   3HD1  LEU  10          3HD1      LEU  10   1.724   6.359   9.261
   66   1HD2  LEU  10          1HD2      LEU  10   1.571   9.077   7.835
   67   2HD2  LEU  10          2HD2      LEU  10  -0.075   8.823   7.249
   68   3HD2  LEU  10          3HD2      LEU  10   0.371   8.321   8.883
   69    H    ALA  11           H        ALA  11   0.627   3.930   6.349
   70    HA   ALA  11           HA       ALA  11  -1.839   3.903   4.842
   71   1HB   ALA  11          1HB       ALA  11  -1.417   2.306   7.344
   72   2HB   ALA  11          2HB       ALA  11  -2.326   1.891   5.890
   73   3HB   ALA  11          3HB       ALA  11  -0.560   1.871   5.855
   74    H    LEU  12           H        LEU  12  -3.291   5.455   5.294
   75    HA   LEU  12           HA       LEU  12  -3.443   6.800   7.795
   76   1HB   LEU  12          2HB       LEU  12  -5.155   6.766   5.335
   77    HG   LEU  12           HG       LEU  12  -3.547   8.943   6.655
   78   1HD1  LEU  12          1HD1      LEU  12  -2.378   8.982   4.466
   79   2HD1  LEU  12          2HD1      LEU  12  -2.130   7.508   5.404
   80   3HD1  LEU  12          3HD1      LEU  12  -3.247   7.507   4.037
   81   1HD2  LEU  12          1HD2      LEU  12  -5.646   9.844   5.817
   82   2HD2  LEU  12          2HD2      LEU  12  -4.303  10.368   4.800
   83   3HD2  LEU  12          3HD2      LEU  12  -5.369   9.073   4.255
   84    H    TYR  13           H        TYR  13  -5.241   4.150   6.352
   85    HA   TYR  13           HA       TYR  13  -6.775   3.924   8.854
   86   1HB   TYR  13          2HB       TYR  13  -8.001   3.154   6.222
   87    HD1  TYR  13           1HD      TYR  13  -8.894   5.981   8.464
   88    HD2  TYR  13           2HD      TYR  13  -7.640   4.772   4.587
   89    HE1  TYR  13           1HE      TYR  13  -9.310   8.258   7.621
   90    HE2  TYR  13           2HE      TYR  13  -8.043   7.043   3.736
   91    HH   TYR  13           HH       TYR  13  -8.650   9.710   5.802
   92    H    ASP  14           H        ASP  14  -7.813   1.688   8.973
   93    HA   ASP  14           HA       ASP  14  -5.871  -0.324   8.223
   94   1HB   ASP  14          2HB       ASP  14  -6.774  -0.375  10.499
   95    H    TYR  15           H        TYR  15  -6.187  -1.810   6.671
   96    HA   TYR  15           HA       TYR  15  -8.796  -1.883   5.331
   97   1HB   TYR  15          2HB       TYR  15  -7.424  -0.401   3.980
   98    HD1  TYR  15           1HD      TYR  15  -5.895  -2.883   2.080
   99    HD2  TYR  15           2HD      TYR  15  -9.750  -1.388   3.065
  100    HE1  TYR  15           1HE      TYR  15  -6.794  -3.836   0.003
  101    HE2  TYR  15           2HE      TYR  15 -10.664  -2.342   0.994
  102    HH   TYR  15           HH       TYR  15  -9.934  -3.079  -1.166
  103    H    GLN  16           H        GLN  16  -9.414  -3.856   4.589
  104    HA   GLN  16           HA       GLN  16  -7.581  -6.109   5.172
  105   1HB   GLN  16          2HB       GLN  16  -9.686  -5.862   6.582
  106   1HG   GLN  16          2HG       GLN  16 -10.533  -8.200   6.266
  107   1HE2  GLN  16          1HE2      GLN  16  -9.719  -7.972   8.371
  108   2HE2  GLN  16          2HE2      GLN  16  -8.107  -8.450   8.773
  109    H    GLU  17           H        GLU  17  -7.021  -7.319   3.461
  110    HA   GLU  17           HA       GLU  17  -7.696  -6.586   0.836
  111   1HB   GLU  17          2HB       GLU  17  -6.546  -8.681   0.181
  112   1HG   GLU  17          2HG       GLU  17  -6.547  -9.207   3.136
  113    H    LYS  18           H        LYS  18  -9.018  -7.521  -0.718
  114    HA   LYS  18           HA       LYS  18 -11.269  -9.041   0.405
  115   1HB   LYS  18          2HB       LYS  18 -11.147  -7.489  -2.191
  116   1HG   LYS  18          2HG       LYS  18 -12.464  -6.671   0.396
  117   1HD   LYS  18          2HD       LYS  18 -13.615  -6.017  -1.755
  118   1HE   LYS  18          2HE       LYS  18 -12.602  -4.073  -2.950
  119   1HZ   LYS  18          1HZ       LYS  18 -12.434  -6.435  -3.793
  120   2HZ   LYS  18          2HZ       LYS  18 -10.831  -6.433  -3.231
  121   3HZ   LYS  18          3HZ       LYS  18 -11.312  -5.331  -4.426
  122    H    SER  19           H        SER  19  -9.074  -8.865  -2.352
  123    HA   SER  19           HA       SER  19  -9.429 -11.760  -2.724
  124   1HB   SER  19          2HB       SER  19  -8.984  -9.731  -4.936
  125    HG   SER  19           HG       SER  19 -11.257 -10.466  -3.674
  126    HA   PRO  20           HA       PRO  20  -5.045 -12.292  -2.459
  127   1HB   PRO  20          2HB       PRO  20  -5.071 -13.300  -5.271
  128   1HG   PRO  20          2HG       PRO  20  -6.638 -14.978  -4.759
  129   1HD   PRO  20          2HD       PRO  20  -7.834 -13.007  -5.085
  130    H    ALA  21           H        ALA  21  -6.297 -10.374  -5.053
  131    HA   ALA  21           HA       ALA  21  -3.738  -9.436  -5.981
  132   1HB   ALA  21          1HB       ALA  21  -6.478  -8.253  -6.434
  133   2HB   ALA  21          2HB       ALA  21  -4.997  -7.819  -7.293
  134   3HB   ALA  21          3HB       ALA  21  -5.683  -9.436  -7.475
  135    H    GLU  22           H        GLU  22  -5.960  -8.591  -3.470
  136    HA   GLU  22           HA       GLU  22  -4.609  -6.036  -3.000
  137   1HB   GLU  22          2HB       GLU  22  -7.013  -7.264  -1.624
  138   1HG   GLU  22          2HG       GLU  22  -7.998  -5.011  -2.562
  139    H    VAL  23           H        VAL  23  -3.769  -5.538  -0.882
  140    HA   VAL  23           HA       VAL  23  -3.204  -7.898   0.776
  141    HB   VAL  23           HB       VAL  23  -1.098  -6.687   1.526
  142   1HG1  VAL  23          1HG1      VAL  23  -1.019  -8.654   0.111
  143   2HG1  VAL  23          2HG1      VAL  23  -1.253  -7.654  -1.324
  144   3HG1  VAL  23          3HG1      VAL  23   0.222  -7.498  -0.371
  145   1HG2  VAL  23          1HG2      VAL  23  -1.637  -4.482   0.636
  146   2HG2  VAL  23          2HG2      VAL  23  -0.120  -5.080  -0.037
  147   3HG2  VAL  23          3HG2      VAL  23  -1.593  -5.125  -1.006
  148    H    THR  24           H        THR  24  -2.922  -7.455   3.033
  149    HA   THR  24           HA       THR  24  -4.863  -5.479   3.894
  150    HB   THR  24           HB       THR  24  -3.423  -7.639   5.426
  151    HG1  THR  24           1HG      THR  24  -4.825  -8.607   4.025
  152   1HG2  THR  24          1HG2      THR  24  -5.771  -5.937   6.249
  153   2HG2  THR  24          2HG2      THR  24  -4.130  -5.786   6.873
  154   3HG2  THR  24          3HG2      THR  24  -5.057  -7.253   7.187
  155    H    MET  25           H        MET  25  -4.352  -3.574   4.694
  156    HA   MET  25           HA       MET  25  -1.633  -3.168   5.744
  157   1HB   MET  25          2HB       MET  25  -1.688  -0.869   5.015
  158   1HG   MET  25          2HG       MET  25  -4.296  -1.291   3.604
  159   1HE   MET  25          1HE       MET  25  -2.558  -0.053   1.700
  160   2HE   MET  25          2HE       MET  25  -1.844   1.528   2.011
  161   3HE   MET  25          3HE       MET  25  -1.291   0.119   2.915
  162    H    LYS  26           H        LYS  26  -1.467  -1.535   7.444
  163    HA   LYS  26           HA       LYS  26  -3.920  -1.436   9.060
  164   1HB   LYS  26          2HB       LYS  26  -1.148  -2.034  10.131
  165   1HG   LYS  26          2HG       LYS  26  -2.286  -4.213  10.877
  166   1HD   LYS  26          2HD       LYS  26  -1.633  -3.877   7.954
  167   1HE   LYS  26          2HE       LYS  26  -1.418  -6.259   9.784
  168   1HZ   LYS  26          1HZ       LYS  26  -0.803  -6.072   6.887
  169   2HZ   LYS  26          2HZ       LYS  26  -0.621  -7.433   7.877
  170   3HZ   LYS  26          3HZ       LYS  26   0.373  -6.075   8.104
  171    H    LYS  27           H        LYS  27  -4.206   0.419  10.224
  172    HA   LYS  27           HA       LYS  27  -3.005   2.797   9.446
  173   1HB   LYS  27          2HB       LYS  27  -5.018   3.106  10.559
  174   1HG   LYS  27          2HG       LYS  27  -4.723   4.092  12.800
  175   1HD   LYS  27          2HD       LYS  27  -2.647   4.922  10.779
  176   1HE   LYS  27          2HE       LYS  27  -3.865   6.446  13.080
  177   1HZ   LYS  27          1HZ       LYS  27  -2.302   8.184  12.401
  178   2HZ   LYS  27          2HZ       LYS  27  -3.475   7.889  11.217
  179   3HZ   LYS  27          3HZ       LYS  27  -1.904   7.288  11.014
  180    H    GLY  28           H        GLY  28  -1.007   3.492   9.697
  181   1HA   GLY  28          1HA       GLY  28   0.765   4.228  11.190
  182   2HA   GLY  28          2HA       GLY  28   0.422   2.825  12.194
  183    H    ASP  29           H        ASP  29   0.232   1.662   9.161
  184    HA   ASP  29           HA       ASP  29   2.907   0.541   9.339
  185   1HB   ASP  29          2HB       ASP  29   0.439  -0.474   8.492
  186    H    ILE  30           H        ILE  30   4.380   0.561   7.587
  187    HA   ILE  30           HA       ILE  30   4.036   2.873   5.808
  188    HB   ILE  30           HB       ILE  30   6.511   1.621   6.983
  189   1HG1  ILE  30          2HG1      ILE  30   7.073   3.963   7.540
  190   1HG2  ILE  30          1HG2      ILE  30   7.894   2.986   5.489
  191   2HG2  ILE  30          2HG2      ILE  30   6.955   1.785   4.603
  192   3HG2  ILE  30          3HG2      ILE  30   6.448   3.475   4.606
  193   1HD1  ILE  30          1HD1      ILE  30   5.389   4.462   9.203
  194   2HD1  ILE  30          2HD1      ILE  30   4.297   3.285   8.474
  195   3HD1  ILE  30          3HD1      ILE  30   5.801   2.747   9.224
  196    H    LEU  31           H        LEU  31   3.696   2.484   3.772
  197    HA   LEU  31           HA       LEU  31   4.181  -0.223   2.734
  198   1HB   LEU  31          2HB       LEU  31   2.254   1.955   2.022
  199    HG   LEU  31           HG       LEU  31   0.543   0.276   2.056
  200   1HD1  LEU  31          1HD1      LEU  31   2.757  -1.686   2.563
  201   2HD1  LEU  31          2HD1      LEU  31   1.033  -2.049   2.639
  202   3HD1  LEU  31          3HD1      LEU  31   1.763  -1.557   1.110
  203   1HD2  LEU  31          1HD2      LEU  31   2.291  -0.006   4.493
  204   2HD2  LEU  31          2HD2      LEU  31   1.082   1.250   4.221
  205   3HD2  LEU  31          3HD2      LEU  31   0.583  -0.434   4.394
  206    H    THR  32           H        THR  32   5.253  -0.527   0.800
  207    HA   THR  32           HA       THR  32   6.743   1.773  -0.241
  208    HB   THR  32           HB       THR  32   7.109  -1.149  -0.927
  209    HG1  THR  32           1HG      THR  32   8.330  -1.310   0.798
  210   1HG2  THR  32          1HG2      THR  32   9.327  -0.365  -1.709
  211   2HG2  THR  32          2HG2      THR  32   8.821   1.295  -1.378
  212   3HG2  THR  32          3HG2      THR  32   7.987   0.345  -2.611
  213    H    LEU  33           H        LEU  33   6.129   2.707  -2.116
  214    HA   LEU  33           HA       LEU  33   3.919   1.651  -3.585
  215   1HB   LEU  33          2HB       LEU  33   5.622   4.060  -3.758
  216    HG   LEU  33           HG       LEU  33   3.458   4.152  -2.585
  217   1HD1  LEU  33          1HD1      LEU  33   2.636   6.157  -3.709
  218   2HD1  LEU  33          2HD1      LEU  33   4.399   6.150  -3.628
  219   3HD1  LEU  33          3HD1      LEU  33   3.582   5.750  -5.139
  220   1HD2  LEU  33          1HD2      LEU  33   1.388   4.045  -3.899
  221   2HD2  LEU  33          2HD2      LEU  33   2.317   3.550  -5.313
  222   3HD2  LEU  33          3HD2      LEU  33   2.240   2.501  -3.897
  223    H    LEU  34           H        LEU  34   3.950   0.216  -5.106
  224    HA   LEU  34           HA       LEU  34   6.461  -0.360  -6.510
  225   1HB   LEU  34          2HB       LEU  34   3.911  -1.983  -6.491
  226    HG   LEU  34           HG       LEU  34   4.799  -1.919  -4.195
  227   1HD1  LEU  34          1HD1      LEU  34   5.181  -4.509  -5.693
  228   2HD1  LEU  34          2HD1      LEU  34   5.134  -4.373  -3.928
  229   3HD1  LEU  34          3HD1      LEU  34   3.719  -3.937  -4.889
  230   1HD2  LEU  34          1HD2      LEU  34   7.340  -2.921  -5.473
  231   2HD2  LEU  34          2HD2      LEU  34   7.113  -1.396  -4.614
  232   3HD2  LEU  34          3HD2      LEU  34   7.017  -2.925  -3.741
  233    H    ASN  35           H        ASN  35   3.025   0.281  -7.027
  234    HA   ASN  35           HA       ASN  35   3.663   1.687  -9.485
  235   1HB   ASN  35          2HB       ASN  35   3.188  -0.639 -10.229
  236   1HD2  ASN  35          1HD2      ASN  35   3.549   0.434 -12.151
  237   2HD2  ASN  35          2HD2      ASN  35   2.266   1.130 -13.077
  238    H    SER  36           H        SER  36   2.363   3.439  -9.738
  239    HA   SER  36           HA       SER  36  -0.082   3.623  -8.138
  240   1HB   SER  36          2HB       SER  36   0.732   5.954  -7.441
  241    HG   SER  36           HG       SER  36   2.598   6.497  -8.206
  242    H    THR  37           H        THR  37   0.389   3.344 -10.995
  243    HA   THR  37           HA       THR  37  -0.077   5.946 -12.157
  244    HB   THR  37           HB       THR  37   1.130   4.036 -13.335
  245    HG1  THR  37           1HG      THR  37   0.109   6.003 -14.333
  246   1HG2  THR  37          1HG2      THR  37  -0.491   2.255 -12.849
  247   2HG2  THR  37          2HG2      THR  37  -0.261   2.452 -14.585
  248   3HG2  THR  37          3HG2      THR  37  -1.703   3.099 -13.809
  249    H    ASN  38           H        ASN  38  -1.936   3.764 -10.505
  250    HA   ASN  38           HA       ASN  38  -4.426   4.381 -11.915
  251   1HB   ASN  38          2HB       ASN  38  -3.870   2.029 -11.181
  252   1HD2  ASN  38          1HD2      ASN  38  -5.517   0.531 -10.896
  253   2HD2  ASN  38          2HD2      ASN  38  -7.174   1.009 -10.766
  254    H    LYS  39           H        LYS  39  -6.089   5.546 -10.888
  255    HA   LYS  39           HA       LYS  39  -5.080   7.330  -8.815
  256   1HB   LYS  39          2HB       LYS  39  -7.115   8.690  -9.264
  257   1HG   LYS  39          2HG       LYS  39  -7.655   7.409 -11.834
  258   1HD   LYS  39          2HD       LYS  39  -8.801   9.425 -10.903
  259   1HE   LYS  39          2HE       LYS  39  -9.963   7.372  -9.024
  260   1HZ   LYS  39          1HZ       LYS  39 -11.371   9.116  -8.222
  261   2HZ   LYS  39          2HZ       LYS  39 -11.659   8.903  -9.875
  262   3HZ   LYS  39          3HZ       LYS  39 -10.736  10.221  -9.342
  263    H    ASP  40           H        ASP  40  -6.845   4.502  -8.862
  264    HA   ASP  40           HA       ASP  40  -8.264   5.273  -6.393
  265   1HB   ASP  40          2HB       ASP  40  -9.050   3.284  -8.527
  266    H    TRP  41           H        TRP  41  -6.213   2.914  -7.940
  267    HA   TRP  41           HA       TRP  41  -5.890   1.569  -5.347
  268   1HB   TRP  41          2HB       TRP  41  -5.968   0.278  -8.083
  269    HD1  TRP  41           HD       TRP  41  -8.542   0.816  -8.461
  270    HE1  TRP  41           1HE      TRP  41 -10.676  -0.121  -7.356
  271    HE3  TRP  41           3HE      TRP  41  -6.441  -1.353  -4.333
  272    HZ2  TRP  41           2HZ      TRP  41 -11.372  -1.564  -5.031
  273    HZ3  TRP  41           3HZ      TRP  41  -7.907  -2.480  -2.716
  274    HH2  TRP  41           HH       TRP  41 -10.323  -2.583  -3.057
  275    H    TRP  42           H        TRP  42  -3.859   1.383  -4.644
  276    HA   TRP  42           HA       TRP  42  -1.700   1.905  -6.574
  277   1HB   TRP  42          2HB       TRP  42  -2.023   2.781  -3.710
  278    HD1  TRP  42           HD       TRP  42  -2.704   3.739  -7.046
  279    HE1  TRP  42           1HE      TRP  42  -2.491   6.256  -7.460
  280    HE3  TRP  42           3HE      TRP  42  -0.079   5.025  -2.866
  281    HZ2  TRP  42           2HZ      TRP  42  -1.353   8.498  -6.184
  282    HZ3  TRP  42           3HZ      TRP  42   0.554   7.391  -2.541
  283    HH2  TRP  42           HH       TRP  42  -0.082   9.085  -4.169
  284    H    LYS  43           H        LYS  43  -0.281   0.348  -6.870
  285    HA   LYS  43           HA       LYS  43  -0.484  -2.117  -5.372
  286   1HB   LYS  43          2HB       LYS  43  -0.086  -2.006  -7.856
  287   1HG   LYS  43          2HG       LYS  43   2.054  -3.405  -6.252
  288   1HD   LYS  43          2HD       LYS  43   1.269  -3.655  -9.149
  289   1HE   LYS  43          2HE       LYS  43   1.495  -5.895  -8.344
  290   1HZ   LYS  43          1HZ       LYS  43   2.681  -5.469  -6.283
  291   2HZ   LYS  43          2HZ       LYS  43   4.078  -5.044  -7.144
  292   3HZ   LYS  43          3HZ       LYS  43   3.496  -6.631  -7.207
  293    H    VAL  44           H        VAL  44   0.622  -2.473  -3.550
  294    HA   VAL  44           HA       VAL  44   3.128  -0.997  -3.129
  295    HB   VAL  44           HB       VAL  44   2.451  -0.642  -0.735
  296   1HG1  VAL  44          1HG1      VAL  44   2.406   1.207  -2.309
  297   2HG1  VAL  44          2HG1      VAL  44   0.798   0.731  -2.857
  298   3HG1  VAL  44          3HG1      VAL  44   1.030   1.318  -1.212
  299   1HG2  VAL  44          1HG2      VAL  44   0.663  -2.292  -0.633
  300   2HG2  VAL  44          2HG2      VAL  44   0.057  -0.689  -0.211
  301   3HG2  VAL  44          3HG2      VAL  44  -0.275  -1.366  -1.807
  302    H    GLU  45           H        GLU  45   4.358  -1.784  -1.293
  303    HA   GLU  45           HA       GLU  45   4.105  -4.698  -0.919
  304   1HB   GLU  45          2HB       GLU  45   6.137  -4.093  -2.107
  305   1HG   GLU  45          2HG       GLU  45   6.878  -4.561   0.772
  306    H    VAL  46           H        VAL  46   3.394  -5.229   1.077
  307    HA   VAL  46           HA       VAL  46   4.256  -3.573   3.371
  308    HB   VAL  46           HB       VAL  46   2.534  -5.634   4.261
  309   1HG1  VAL  46          1HG1      VAL  46   2.933  -3.405   5.249
  310   2HG1  VAL  46          2HG1      VAL  46   1.920  -2.703   3.986
  311   3HG1  VAL  46          3HG1      VAL  46   1.227  -3.846   5.141
  312   1HG2  VAL  46          1HG2      VAL  46   0.461  -5.130   3.072
  313   2HG2  VAL  46          2HG2      VAL  46   1.367  -4.122   1.940
  314   3HG2  VAL  46          3HG2      VAL  46   1.684  -5.854   2.024
  315    H    ASN  47           H        ASN  47   6.072  -4.335   4.134
  316    HA   ASN  47           HA       ASN  47   7.735  -5.618   4.878
  317   1HB   ASN  47          2HB       ASN  47   7.087  -7.598   6.272
  318   1HD2  ASN  47          1HD2      ASN  47   4.161  -5.808   6.631
  319   2HD2  ASN  47          2HD2      ASN  47   3.095  -7.147   6.361
  320    H    ASP  48           H        ASP  48   5.467  -7.964   3.598
  321    HA   ASP  48           HA       ASP  48   7.611  -9.158   1.960
  322   1HB   ASP  48          2HB       ASP  48   7.524 -10.461   4.035
  323    H    ARG  49           H        ARG  49   4.479  -8.034   2.203
  324    HA   ARG  49           HA       ARG  49   3.368  -9.974   0.309
  325   1HB   ARG  49          2HB       ARG  49   1.934  -7.985   2.076
  326   1HG   ARG  49          2HG       ARG  49   2.984  -9.858   3.364
  327   1HD   ARG  49          2HD       ARG  49   1.798 -12.055   3.194
  328    HE   ARG  49           HE       ARG  49   4.045 -11.543   1.987
  329   1HH1  ARG  49          2HH1      ARG  49   1.156 -12.987   0.638
  330   2HH1  ARG  49          1HH1      ARG  49   2.007 -13.835  -0.621
  331   1HH2  ARG  49          2HH2      ARG  49   5.178 -12.639   0.340
  332   2HH2  ARG  49          1HH2      ARG  49   4.302 -13.619  -0.806
  333    H    GLN  50           H        GLN  50   3.352  -9.363  -1.744
  334    HA   GLN  50           HA       GLN  50   3.189  -6.558  -2.498
  335   1HB   GLN  50          2HB       GLN  50   3.670  -9.135  -3.931
  336   1HG   GLN  50          2HG       GLN  50   5.424  -7.888  -5.028
  337   1HE2  GLN  50          1HE2      GLN  50   5.401  -6.384  -1.849
  338   2HE2  GLN  50          2HE2      GLN  50   6.602  -7.415  -1.185
  339    H    GLY  51           H        GLY  51   1.301  -5.565  -3.136
  340   1HA   GLY  51          1HA       GLY  51  -0.787  -6.898  -4.473
  341   2HA   GLY  51          2HA       GLY  51  -1.191  -6.797  -2.767
  342    H    PHE  52           H        PHE  52  -2.970  -5.600  -4.042
  343    HA   PHE  52           HA       PHE  52  -2.249  -2.792  -4.474
  344   1HB   PHE  52          2HB       PHE  52  -4.618  -4.461  -5.297
  345    HD1  PHE  52           1HD      PHE  52  -3.488  -1.553  -7.116
  346    HD2  PHE  52           2HD      PHE  52  -3.047  -5.765  -6.671
  347    HE1  PHE  52           1HE      PHE  52  -2.402  -1.671  -9.325
  348    HE2  PHE  52           2HE      PHE  52  -1.952  -5.893  -8.871
  349    HZ   PHE  52           HZ       PHE  52  -1.635  -3.841 -10.206
  350    H    VAL  53           H        VAL  53  -3.226  -1.136  -3.395
  351    HA   VAL  53           HA       VAL  53  -5.277  -1.776  -1.399
  352    HB   VAL  53           HB       VAL  53  -4.269  -0.256   0.224
  353   1HG1  VAL  53          1HG1      VAL  53  -2.328  -1.600   0.882
  354   2HG1  VAL  53          2HG1      VAL  53  -3.686  -2.612   0.382
  355   3HG1  VAL  53          3HG1      VAL  53  -2.327  -2.360  -0.711
  356   1HG2  VAL  53          1HG2      VAL  53  -3.141   1.269  -1.271
  357   2HG2  VAL  53          2HG2      VAL  53  -1.977   0.608  -0.124
  358   3HG2  VAL  53          3HG2      VAL  53  -2.027  -0.000  -1.779
  359    HA   PRO  54           HA       PRO  54  -7.350   1.888  -2.888
  360   1HB   PRO  54          2HB       PRO  54  -7.697   2.720  -0.066
  361   1HG   PRO  54          2HG       PRO  54  -8.529   0.706   0.717
  362   1HD   PRO  54          2HD       PRO  54  -6.272   0.239   0.509
  363    H    ALA  55           H        ALA  55  -6.396   3.680  -3.657
  364    HA   ALA  55           HA       ALA  55  -3.993   4.762  -2.613
  365   1HB   ALA  55          1HB       ALA  55  -5.976   5.987  -4.529
  366   2HB   ALA  55          2HB       ALA  55  -4.332   6.557  -4.245
  367   3HB   ALA  55          3HB       ALA  55  -4.600   4.968  -4.963
  368    H    ALA  56           H        ALA  56  -7.372   5.449  -2.020
  369    HA   ALA  56           HA       ALA  56  -7.006   8.007  -0.803
  370   1HB   ALA  56          1HB       ALA  56  -9.167   7.240  -1.718
  371   2HB   ALA  56          2HB       ALA  56  -9.272   6.052  -0.415
  372   3HB   ALA  56          3HB       ALA  56  -9.288   7.778  -0.041
  373    H    TYR  57           H        TYR  57  -6.271   4.885   0.201
  374    HA   TYR  57           HA       TYR  57  -6.666   5.454   3.052
  375   1HB   TYR  57          2HB       TYR  57  -6.135   2.933   1.498
  376    HD1  TYR  57           1HD      TYR  57  -7.391   1.932   4.461
  377    HD2  TYR  57           2HD      TYR  57  -8.618   4.206   1.081
  378    HE1  TYR  57           1HE      TYR  57  -9.731   1.447   4.999
  379    HE2  TYR  57           2HE      TYR  57 -10.969   3.731   1.609
  380    HH   TYR  57           HH       TYR  57 -11.999   2.562   4.548
  381    H    VAL  58           H        VAL  58  -4.432   6.169   0.900
  382    HA   VAL  58           HA       VAL  58  -2.203   5.709   2.741
  383    HB   VAL  58           HB       VAL  58  -2.638   4.384   0.291
  384   1HG1  VAL  58          1HG1      VAL  58  -1.717   6.214  -0.941
  385   2HG1  VAL  58          2HG1      VAL  58  -0.320   6.289   0.133
  386   3HG1  VAL  58          3HG1      VAL  58  -0.549   4.893  -0.917
  387   1HG2  VAL  58          1HG2      VAL  58  -0.543   3.257   0.836
  388   2HG2  VAL  58          2HG2      VAL  58  -0.207   4.485   2.057
  389   3HG2  VAL  58          3HG2      VAL  58  -1.599   3.418   2.242
  390    H    LYS  59           H        LYS  59  -0.483   7.227   2.563
  391    HA   LYS  59           HA       LYS  59  -0.949   9.534   0.814
  392   1HB   LYS  59          2HB       LYS  59  -1.883  10.085   3.041
  393   1HG   LYS  59          2HG       LYS  59   0.641  11.567   2.350
  394   1HD   LYS  59          2HD       LYS  59  -0.312  13.385   3.766
  395   1HE   LYS  59          2HE       LYS  59   0.426  10.796   5.121
  396   1HZ   LYS  59          1HZ       LYS  59   0.487  13.544   6.243
  397   2HZ   LYS  59          2HZ       LYS  59   1.010  12.133   7.015
  398   3HZ   LYS  59          3HZ       LYS  59  -0.636  12.346   6.669
  399    H    LYS  60           H        LYS  60   0.895  10.477   0.043
  400    HA   LYS  60           HA       LYS  60   3.267   9.051  -0.086
  401   1HB   LYS  60          2HB       LYS  60   2.604  11.933  -0.598
  402   1HG   LYS  60          2HG       LYS  60   1.857  10.203  -2.220
  403   1HD   LYS  60          2HD       LYS  60   4.660   9.468  -1.992
  404   1HE   LYS  60          2HE       LYS  60   4.892   8.891  -4.407
  405   1HZ   LYS  60          1HZ       LYS  60   5.651  11.025  -5.075
  406   2HZ   LYS  60          2HZ       LYS  60   5.933  10.912  -3.403
  407   3HZ   LYS  60          3HZ       LYS  60   4.622  11.812  -3.988
  408    H    LEU  61           H        LEU  61   4.825   8.690   1.335
  409    HA   LEU  61           HA       LEU  61   5.407  10.701   3.394
  410   1HB   LEU  61          2HB       LEU  61   6.411   7.870   3.034
  411    HG   LEU  61           HG       LEU  61   4.116   7.990   4.004
  412   1HD1  LEU  61          1HD1      LEU  61   4.611   6.533   5.884
  413   2HD1  LEU  61          2HD1      LEU  61   5.660   6.162   4.515
  414   3HD1  LEU  61          3HD1      LEU  61   6.289   7.078   5.885
  415   1HD2  LEU  61          1HD2      LEU  61   3.999   8.791   6.387
  416   2HD2  LEU  61          2HD2      LEU  61   5.548   9.587   6.121
  417   3HD2  LEU  61          3HD2      LEU  61   4.135  10.064   5.177
  418    H    ASP  62           H        ASP  62   6.104  10.228   0.319
  419    HA   ASP  62           HA       ASP  62   8.746  11.432   0.550
  420   1HB   ASP  62          2HB       ASP  62   9.072   8.979   0.163
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   6.757  -5.080 -13.203
    2   2H    MET   1          2H        MET   1   8.225  -5.586 -12.526
    3   3H    MET   1          3H        MET   1   7.971  -5.727 -14.196
    4    HA   MET   1           HA       MET   1   9.396  -3.892 -13.825
    5   1HB   MET   1          2HB       MET   1   7.613  -3.727 -15.577
    6   1HG   MET   1          2HG       MET   1   8.239  -1.069 -14.312
    7   1HE   MET   1          1HE       MET   1   5.368  -1.526 -15.481
    8   2HE   MET   1          2HE       MET   1   5.960   0.063 -15.001
    9   3HE   MET   1          3HE       MET   1   5.200  -0.154 -16.578
   10    H    ASP   2           H        ASP   2   7.441  -4.502 -11.285
   11    HA   ASP   2           HA       ASP   2   8.009  -1.899 -10.041
   12   1HB   ASP   2          2HB       ASP   2   6.130  -2.369  -8.492
   13    H    GLU   3           H        GLU   3   9.688  -2.025  -8.647
   14    HA   GLU   3           HA       GLU   3  10.020  -4.509  -7.094
   15   1HB   GLU   3          2HB       GLU   3  12.136  -3.154  -8.768
   16   1HG   GLU   3          2HG       GLU   3  11.329  -6.053  -8.693
   17    H    THR   4           H        THR   4   8.912  -2.400  -5.930
   18    HA   THR   4           HA       THR   4   9.020  -0.964  -4.173
   19    HB   THR   4           HB       THR   4  10.619  -1.513  -2.374
   20    HG1  THR   4           1HG      THR   4  11.986  -2.687  -4.408
   21   1HG2  THR   4          1HG2      THR   4   8.525  -2.762  -2.558
   22   2HG2  THR   4          2HG2      THR   4   9.822  -3.777  -1.929
   23   3HG2  THR   4          3HG2      THR   4   9.316  -3.940  -3.611
   24    H    GLY   5           H        GLY   5   9.456   0.885  -5.462
   25   1HA   GLY   5          1HA       GLY   5  12.195   1.765  -5.807
   26   2HA   GLY   5          2HA       GLY   5  10.751   2.683  -6.213
   27    H    LYS   6           H        LYS   6  10.828   1.350  -3.116
   28    HA   LYS   6           HA       LYS   6  10.504   2.363  -1.073
   29   1HB   LYS   6          2HB       LYS   6  13.247   2.907  -2.021
   30   1HG   LYS   6          2HG       LYS   6  13.951   1.664  -0.214
   31   1HD   LYS   6          2HD       LYS   6  11.230   0.688  -1.007
   32   1HE   LYS   6          2HE       LYS   6  11.972  -1.510  -0.038
   33   1HZ   LYS   6          1HZ       LYS   6  10.331  -0.089   1.100
   34   2HZ   LYS   6          2HZ       LYS   6  11.582   0.642   1.983
   35   3HZ   LYS   6          3HZ       LYS   6  11.255  -1.012   2.178
   36    H    GLU   7           H        GLU   7   9.394   3.916  -3.297
   37    HA   GLU   7           HA       GLU   7   9.282   6.562  -2.130
   38   1HB   GLU   7          2HB       GLU   7   8.913   6.100  -4.598
   39   1HG   GLU   7          2HG       GLU   7   6.666   7.452  -3.136
   40    H    LEU   8           H        LEU   8   8.426   6.553  -0.119
   41    HA   LEU   8           HA       LEU   8   6.739   4.304   0.570
   42   1HB   LEU   8          2HB       LEU   8   8.032   6.374   2.323
   43    HG   LEU   8           HG       LEU   8   9.658   4.868   1.280
   44   1HD1  LEU   8          1HD1      LEU   8  10.079   5.668   3.535
   45   2HD1  LEU   8          2HD1      LEU   8   9.185   4.302   4.197
   46   3HD1  LEU   8          3HD1      LEU   8  10.697   4.030   3.332
   47   1HD2  LEU   8          1HD2      LEU   8   9.602   2.450   1.898
   48   2HD2  LEU   8          2HD2      LEU   8   7.955   2.701   2.474
   49   3HD2  LEU   8          3HD2      LEU   8   8.340   2.952   0.768
   50    H    VAL   9           H        VAL   9   4.938   4.424   1.809
   51    HA   VAL   9           HA       VAL   9   3.447   6.952   1.791
   52    HB   VAL   9           HB       VAL   9   1.359   5.528   1.308
   53   1HG1  VAL   9          1HG1      VAL   9   3.348   6.060  -0.886
   54   2HG1  VAL   9          2HG1      VAL   9   1.617   5.791  -1.103
   55   3HG1  VAL   9          3HG1      VAL   9   2.184   7.207  -0.220
   56   1HG2  VAL   9          1HG2      VAL   9   2.407   3.347   1.508
   57   2HG2  VAL   9          2HG2      VAL   9   1.730   3.571  -0.107
   58   3HG2  VAL   9          3HG2      VAL   9   3.469   3.718   0.149
   59    H    LEU  10           H        LEU  10   1.678   6.993   3.275
   60    HA   LEU  10           HA       LEU  10   2.148   5.254   5.603
   61   1HB   LEU  10          2HB       LEU  10   2.395   7.651   6.033
   62    HG   LEU  10           HG       LEU  10  -0.047   6.411   7.271
   63   1HD1  LEU  10          1HD1      LEU  10   2.065   5.437   7.920
   64   2HD1  LEU  10          2HD1      LEU  10   2.708   7.030   8.322
   65   3HD1  LEU  10          3HD1      LEU  10   1.384   6.349   9.267
   66   1HD2  LEU  10          1HD2      LEU  10  -0.462   8.785   7.238
   67   2HD2  LEU  10          2HD2      LEU  10  -0.058   8.272   8.877
   68   3HD2  LEU  10          3HD2      LEU  10   1.144   9.107   7.893
   69    H    ALA  11           H        ALA  11   0.537   3.965   6.352
   70    HA   ALA  11           HA       ALA  11  -1.886   3.785   4.801
   71   1HB   ALA  11          1HB       ALA  11  -2.344   1.815   5.960
   72   2HB   ALA  11          2HB       ALA  11  -0.585   1.834   5.861
   73   3HB   ALA  11          3HB       ALA  11  -1.395   2.302   7.365
   74    H    LEU  12           H        LEU  12  -3.327   5.374   5.134
   75    HA   LEU  12           HA       LEU  12  -3.633   6.739   7.604
   76   1HB   LEU  12          2HB       LEU  12  -5.228   6.699   5.053
   77    HG   LEU  12           HG       LEU  12  -3.617   8.880   6.373
   78   1HD1  LEU  12          1HD1      LEU  12  -3.251   7.424   3.770
   79   2HD1  LEU  12          2HD1      LEU  12  -2.298   8.808   4.314
   80   3HD1  LEU  12          3HD1      LEU  12  -2.237   7.290   5.210
   81   1HD2  LEU  12          1HD2      LEU  12  -4.245  10.261   4.453
   82   2HD2  LEU  12          2HD2      LEU  12  -5.298   8.973   3.871
   83   3HD2  LEU  12          3HD2      LEU  12  -5.661   9.787   5.394
   84    H    TYR  13           H        TYR  13  -5.163   3.949   6.172
   85    HA   TYR  13           HA       TYR  13  -6.780   3.644   8.595
   86   1HB   TYR  13          2HB       TYR  13  -8.007   3.027   5.922
   87    HD1  TYR  13           1HD      TYR  13  -8.848   5.578   8.470
   88    HD2  TYR  13           2HD      TYR  13  -7.792   4.831   4.424
   89    HE1  TYR  13           1HE      TYR  13  -9.379   7.910   7.919
   90    HE2  TYR  13           2HE      TYR  13  -8.308   7.167   3.853
   91    HH   TYR  13           HH       TYR  13  -9.018   9.553   6.297
   92    H    ASP  14           H        ASP  14  -7.592   1.472   8.855
   93    HA   ASP  14           HA       ASP  14  -5.668  -0.530   8.065
   94   1HB   ASP  14          2HB       ASP  14  -6.774  -0.383  10.345
   95    H    TYR  15           H        TYR  15  -5.847  -1.554   6.173
   96    HA   TYR  15           HA       TYR  15  -8.538  -1.820   5.016
   97   1HB   TYR  15          2HB       TYR  15  -7.070  -0.425   3.622
   98    HD1  TYR  15           1HD      TYR  15  -6.023  -3.204   1.687
   99    HD2  TYR  15           2HD      TYR  15  -9.499  -1.036   2.853
  100    HE1  TYR  15           1HE      TYR  15  -7.240  -4.117  -0.262
  101    HE2  TYR  15           2HE      TYR  15 -10.713  -1.932   0.923
  102    HH   TYR  15           HH       TYR  15  -9.426  -4.466  -1.055
  103    H    GLN  16           H        GLN  16  -9.209  -3.742   4.244
  104    HA   GLN  16           HA       GLN  16  -7.516  -6.063   4.910
  105   1HB   GLN  16          2HB       GLN  16  -9.708  -5.570   6.228
  106   1HG   GLN  16          2HG       GLN  16 -10.449  -8.017   6.064
  107   1HE2  GLN  16          1HE2      GLN  16  -9.093  -5.993   7.686
  108   2HE2  GLN  16          2HE2      GLN  16  -7.960  -6.864   8.668
  109    H    GLU  17           H        GLU  17  -6.860  -7.103   3.158
  110    HA   GLU  17           HA       GLU  17  -7.570  -6.630   0.514
  111   1HB   GLU  17          2HB       GLU  17  -6.424  -8.749   0.035
  112   1HG   GLU  17          2HG       GLU  17  -6.680  -9.172   2.994
  113    H    LYS  18           H        LYS  18  -9.237  -7.110  -0.696
  114    HA   LYS  18           HA       LYS  18 -11.329  -8.885   0.324
  115   1HB   LYS  18          2HB       LYS  18 -11.251  -7.127  -2.145
  116   1HG   LYS  18          2HG       LYS  18 -12.723  -6.675   0.454
  117   1HD   LYS  18          2HD       LYS  18 -13.826  -5.885  -1.705
  118   1HE   LYS  18          2HE       LYS  18 -12.974  -3.720  -2.574
  119   1HZ   LYS  18          1HZ       LYS  18 -10.855  -5.725  -2.975
  120   2HZ   LYS  18          2HZ       LYS  18 -11.487  -4.614  -4.086
  121   3HZ   LYS  18          3HZ       LYS  18 -12.405  -5.959  -3.618
  122    H    SER  19           H        SER  19  -8.614  -9.031  -1.502
  123    HA   SER  19           HA       SER  19  -9.137 -11.654  -2.525
  124   1HB   SER  19          2HB       SER  19  -8.490  -9.401  -4.465
  125    HG   SER  19           HG       SER  19 -10.868 -10.430  -3.636
  126    HA   PRO  20           HA       PRO  20  -4.781 -11.933  -1.675
  127   1HB   PRO  20          2HB       PRO  20  -4.491 -13.432  -4.227
  128   1HG   PRO  20          2HG       PRO  20  -6.172 -14.982  -3.729
  129   1HD   PRO  20          2HD       PRO  20  -7.245 -13.051  -4.481
  130    H    ALA  21           H        ALA  21  -5.936 -10.409  -4.468
  131    HA   ALA  21           HA       ALA  21  -3.350  -9.609  -5.496
  132   1HB   ALA  21          1HB       ALA  21  -4.616  -8.228  -7.066
  133   2HB   ALA  21          2HB       ALA  21  -5.223  -9.885  -7.042
  134   3HB   ALA  21          3HB       ALA  21  -6.109  -8.613  -6.203
  135    H    GLU  22           H        GLU  22  -5.508  -8.631  -3.081
  136    HA   GLU  22           HA       GLU  22  -4.265  -5.978  -2.878
  137   1HB   GLU  22          2HB       GLU  22  -6.586  -6.856  -1.192
  138   1HG   GLU  22          2HG       GLU  22  -6.747  -5.888  -4.028
  139    H    VAL  23           H        VAL  23  -3.730  -5.333  -0.601
  140    HA   VAL  23           HA       VAL  23  -2.943  -7.677   0.972
  141    HB   VAL  23           HB       VAL  23  -0.891  -6.346   1.681
  142   1HG1  VAL  23          1HG1      VAL  23  -0.721  -8.305   0.307
  143   2HG1  VAL  23          2HG1      VAL  23  -1.128  -7.375  -1.136
  144   3HG1  VAL  23          3HG1      VAL  23   0.392  -7.076  -0.295
  145   1HG2  VAL  23          1HG2      VAL  23  -1.558  -4.831  -0.841
  146   2HG2  VAL  23          2HG2      VAL  23  -1.533  -4.176   0.796
  147   3HG2  VAL  23          3HG2      VAL  23  -0.037  -4.727   0.047
  148    H    THR  24           H        THR  24  -3.083  -7.537   3.115
  149    HA   THR  24           HA       THR  24  -4.794  -5.453   4.129
  150    HB   THR  24           HB       THR  24  -3.542  -7.777   5.596
  151    HG1  THR  24           1HG      THR  24  -4.866  -8.544   3.935
  152   1HG2  THR  24          1HG2      THR  24  -5.348  -7.428   7.208
  153   2HG2  THR  24          2HG2      THR  24  -5.903  -6.032   6.285
  154   3HG2  THR  24          3HG2      THR  24  -4.327  -5.997   7.075
  155    H    MET  25           H        MET  25  -4.182  -3.716   5.220
  156    HA   MET  25           HA       MET  25  -1.477  -3.603   6.342
  157   1HB   MET  25          2HB       MET  25  -1.078  -1.405   5.398
  158   1HG   MET  25          2HG       MET  25  -3.663  -1.683   3.891
  159   1HE   MET  25          1HE       MET  25  -4.473   0.590   2.453
  160   2HE   MET  25          2HE       MET  25  -4.223   1.442   3.979
  161   3HE   MET  25          3HE       MET  25  -3.503   2.060   2.493
  162    H    LYS  26           H        LYS  26  -1.232  -2.041   8.033
  163    HA   LYS  26           HA       LYS  26  -3.839  -1.482   9.306
  164   1HB   LYS  26          2HB       LYS  26  -1.166  -1.971  10.664
  165   1HG   LYS  26          2HG       LYS  26  -2.556  -3.854  11.764
  166   1HD   LYS  26          2HD       LYS  26  -1.874  -5.473  10.085
  167   1HE   LYS  26          2HE       LYS  26   0.083  -3.204  10.413
  168   1HZ   LYS  26          1HZ       LYS  26   0.603  -6.044   9.714
  169   2HZ   LYS  26          2HZ       LYS  26   1.776  -4.857  10.013
  170   3HZ   LYS  26          3HZ       LYS  26   0.767  -4.727   8.657
  171    H    LYS  27           H        LYS  27  -4.057   0.464  10.502
  172    HA   LYS  27           HA       LYS  27  -3.020   2.777   9.361
  173   1HB   LYS  27          2HB       LYS  27  -4.996   2.937  10.671
  174   1HG   LYS  27          2HG       LYS  27  -3.649   4.220  12.824
  175   1HD   LYS  27          2HD       LYS  27  -4.854   5.349  10.310
  176   1HE   LYS  27          2HE       LYS  27  -4.497   6.537  13.053
  177   1HZ   LYS  27          1HZ       LYS  27  -5.552   7.834  10.601
  178   2HZ   LYS  27          2HZ       LYS  27  -5.447   8.498  12.157
  179   3HZ   LYS  27          3HZ       LYS  27  -6.532   7.233  11.847
  180    H    GLY  28           H        GLY  28  -1.070   3.645   9.419
  181   1HA   GLY  28          1HA       GLY  28   0.823   4.523  10.560
  182   2HA   GLY  28          2HA       GLY  28   0.578   3.325  11.827
  183    H    ASP  29           H        ASP  29   0.201   1.817   8.905
  184    HA   ASP  29           HA       ASP  29   2.781   0.555   9.037
  185   1HB   ASP  29          2HB       ASP  29   0.277   0.146   7.512
  186    H    ILE  30           H        ILE  30   4.426   0.691   7.551
  187    HA   ILE  30           HA       ILE  30   4.280   2.987   5.724
  188    HB   ILE  30           HB       ILE  30   6.629   1.638   7.053
  189   1HG1  ILE  30          2HG1      ILE  30   7.216   3.958   7.682
  190   1HG2  ILE  30          1HG2      ILE  30   8.128   3.017   5.670
  191   2HG2  ILE  30          2HG2      ILE  30   7.239   1.821   4.724
  192   3HG2  ILE  30          3HG2      ILE  30   6.742   3.512   4.700
  193   1HD1  ILE  30          1HD1      ILE  30   5.441   4.463   9.250
  194   2HD1  ILE  30          2HD1      ILE  30   4.380   3.304   8.443
  195   3HD1  ILE  30          3HD1      ILE  30   5.838   2.745   9.269
  196    H    LEU  31           H        LEU  31   3.675   2.417   3.801
  197    HA   LEU  31           HA       LEU  31   4.365  -0.222   2.734
  198   1HB   LEU  31          2HB       LEU  31   2.329   1.858   2.010
  199    HG   LEU  31           HG       LEU  31   0.700   0.104   2.066
  200   1HD1  LEU  31          1HD1      LEU  31   2.020  -1.666   1.106
  201   2HD1  LEU  31          2HD1      LEU  31   2.983  -1.770   2.580
  202   3HD1  LEU  31          3HD1      LEU  31   1.272  -2.197   2.612
  203   1HD2  LEU  31          1HD2      LEU  31   1.199   1.098   4.223
  204   2HD2  LEU  31          2HD2      LEU  31   0.797  -0.609   4.402
  205   3HD2  LEU  31          3HD2      LEU  31   2.479  -0.087   4.486
  206    H    THR  32           H        THR  32   5.441  -0.467   0.771
  207    HA   THR  32           HA       THR  32   6.831   1.912  -0.218
  208    HB   THR  32           HB       THR  32   7.330  -0.992  -0.918
  209    HG1  THR  32           1HG      THR  32   8.201  -0.988   1.034
  210   1HG2  THR  32          1HG2      THR  32   9.439  -0.131  -1.823
  211   2HG2  THR  32          2HG2      THR  32   8.933   1.512  -1.416
  212   3HG2  THR  32          3HG2      THR  32   8.042   0.584  -2.632
  213    H    LEU  33           H        LEU  33   6.067   2.876  -2.022
  214    HA   LEU  33           HA       LEU  33   3.896   1.744  -3.469
  215   1HB   LEU  33          2HB       LEU  33   5.467   4.247  -3.646
  216    HG   LEU  33           HG       LEU  33   3.317   4.207  -2.436
  217   1HD1  LEU  33          1HD1      LEU  33   4.088   6.290  -3.413
  218   2HD1  LEU  33          2HD1      LEU  33   3.340   5.869  -4.953
  219   3HD1  LEU  33          3HD1      LEU  33   2.333   6.175  -3.539
  220   1HD2  LEU  33          1HD2      LEU  33   2.169   2.511  -3.764
  221   2HD2  LEU  33          2HD2      LEU  33   1.225   3.999  -3.705
  222   3HD2  LEU  33          3HD2      LEU  33   2.148   3.597  -5.153
  223    H    LEU  34           H        LEU  34   3.843   0.579  -5.201
  224    HA   LEU  34           HA       LEU  34   6.355  -0.040  -6.608
  225   1HB   LEU  34          2HB       LEU  34   3.800  -1.646  -6.629
  226    HG   LEU  34           HG       LEU  34   4.554  -1.649  -4.305
  227   1HD1  LEU  34          1HD1      LEU  34   3.631  -3.699  -5.306
  228   2HD1  LEU  34          2HD1      LEU  34   5.263  -4.216  -5.716
  229   3HD1  LEU  34          3HD1      LEU  34   4.797  -4.037  -4.022
  230   1HD2  LEU  34          1HD2      LEU  34   6.868  -1.047  -4.575
  231   2HD2  LEU  34          2HD2      LEU  34   6.768  -2.600  -3.747
  232   3HD2  LEU  34          3HD2      LEU  34   7.189  -2.541  -5.457
  233    H    ASN  35           H        ASN  35   2.940   0.715  -6.960
  234    HA   ASN  35           HA       ASN  35   3.404   1.979  -9.523
  235   1HB   ASN  35          2HB       ASN  35   2.939  -0.421 -10.066
  236   1HD2  ASN  35          1HD2      ASN  35   2.041  -0.924 -12.021
  237   2HD2  ASN  35          2HD2      ASN  35   1.235   0.238 -13.014
  238    H    SER  36           H        SER  36   2.401   3.881  -9.333
  239    HA   SER  36           HA       SER  36  -0.145   3.964  -7.864
  240   1HB   SER  36          2HB       SER  36   0.544   6.242  -7.062
  241    HG   SER  36           HG       SER  36   2.968   5.450  -8.298
  242    H    THR  37           H        THR  37   0.618   3.847 -10.799
  243    HA   THR  37           HA       THR  37  -0.122   6.442 -11.814
  244    HB   THR  37           HB       THR  37   1.420   4.754 -12.980
  245    HG1  THR  37           1HG      THR  37   0.491   6.712 -13.919
  246   1HG2  THR  37          1HG2      THR  37  -0.114   2.815 -12.857
  247   2HG2  THR  37          2HG2      THR  37   0.361   3.189 -14.513
  248   3HG2  THR  37          3HG2      THR  37  -1.234   3.659 -13.927
  249    H    ASN  38           H        ASN  38  -1.767   3.881 -10.512
  250    HA   ASN  38           HA       ASN  38  -4.244   4.287 -11.982
  251   1HB   ASN  38          2HB       ASN  38  -3.518   2.030 -11.131
  252   1HD2  ASN  38          1HD2      ASN  38  -5.020   0.401 -10.801
  253   2HD2  ASN  38          2HD2      ASN  38  -6.723   0.709 -10.728
  254    H    LYS  39           H        LYS  39  -6.136   5.172 -10.925
  255    HA   LYS  39           HA       LYS  39  -5.329   7.334  -9.136
  256   1HB   LYS  39          2HB       LYS  39  -8.033   6.959 -10.372
  257   1HG   LYS  39          2HG       LYS  39  -5.987   8.752 -11.598
  258   1HD   LYS  39          2HD       LYS  39  -8.316   9.153 -12.142
  259   1HE   LYS  39          2HE       LYS  39  -8.421   6.315 -13.147
  260   1HZ   LYS  39          1HZ       LYS  39  -9.987   7.657 -14.272
  261   2HZ   LYS  39          2HZ       LYS  39 -10.461   8.439 -12.849
  262   3HZ   LYS  39          3HZ       LYS  39 -10.851   6.809 -13.083
  263    H    ASP  40           H        ASP  40  -7.107   4.377  -9.114
  264    HA   ASP  40           HA       ASP  40  -8.522   5.166  -6.661
  265   1HB   ASP  40          2HB       ASP  40  -9.066   2.798  -8.468
  266    H    TRP  41           H        TRP  41  -6.282   2.856  -8.000
  267    HA   TRP  41           HA       TRP  41  -6.013   1.610  -5.349
  268   1HB   TRP  41          2HB       TRP  41  -6.029   0.204  -8.031
  269    HD1  TRP  41           HD       TRP  41  -8.590   0.713  -8.522
  270    HE1  TRP  41           1HE      TRP  41 -10.772  -0.154  -7.460
  271    HE3  TRP  41           3HE      TRP  41  -6.651  -1.307  -4.241
  272    HZ2  TRP  41           2HZ      TRP  41 -11.554  -1.503  -5.103
  273    HZ3  TRP  41           3HZ      TRP  41  -8.180  -2.364  -2.641
  274    HH2  TRP  41           HH       TRP  41 -10.582  -2.462  -3.062
  275    H    TRP  42           H        TRP  42  -3.979   1.567  -4.602
  276    HA   TRP  42           HA       TRP  42  -1.815   2.009  -6.551
  277   1HB   TRP  42          2HB       TRP  42  -2.097   2.905  -3.687
  278    HD1  TRP  42           HD       TRP  42  -2.831   3.844  -7.060
  279    HE1  TRP  42           1HE      TRP  42  -2.800   6.384  -7.421
  280    HE3  TRP  42           3HE      TRP  42  -0.357   5.218  -2.818
  281    HZ2  TRP  42           2HZ      TRP  42  -1.854   8.671  -6.063
  282    HZ3  TRP  42           3HZ      TRP  42   0.075   7.612  -2.418
  283    HH2  TRP  42           HH       TRP  42  -0.662   9.296  -4.014
  284    H    LYS  43           H        LYS  43  -0.197   0.593  -6.667
  285    HA   LYS  43           HA       LYS  43  -0.492  -1.907  -5.197
  286   1HB   LYS  43          2HB       LYS  43  -0.071  -1.766  -7.697
  287   1HG   LYS  43          2HG       LYS  43   1.995  -3.293  -6.117
  288   1HD   LYS  43          2HD       LYS  43   0.977  -3.591  -8.941
  289   1HE   LYS  43          2HE       LYS  43   1.182  -5.800  -7.990
  290   1HZ   LYS  43          1HZ       LYS  43   3.108  -6.579  -6.933
  291   2HZ   LYS  43          2HZ       LYS  43   2.763  -5.102  -6.180
  292   3HZ   LYS  43          3HZ       LYS  43   4.004  -5.192  -7.333
  293    H    VAL  44           H        VAL  44   0.649  -2.357  -3.435
  294    HA   VAL  44           HA       VAL  44   3.208  -0.992  -2.982
  295    HB   VAL  44           HB       VAL  44   2.529  -0.678  -0.565
  296   1HG1  VAL  44          1HG1      VAL  44   0.918   0.868  -2.596
  297   2HG1  VAL  44          2HG1      VAL  44   1.312   1.391  -0.959
  298   3HG1  VAL  44          3HG1      VAL  44   2.594   1.195  -2.154
  299   1HG2  VAL  44          1HG2      VAL  44   0.635  -2.228  -0.559
  300   2HG2  VAL  44          2HG2      VAL  44   0.138  -0.613  -0.053
  301   3HG2  VAL  44          3HG2      VAL  44  -0.233  -1.181  -1.682
  302    H    GLU  45           H        GLU  45   4.352  -1.971  -1.038
  303    HA   GLU  45           HA       GLU  45   3.752  -4.851  -0.814
  304   1HB   GLU  45          2HB       GLU  45   5.805  -4.503  -2.093
  305   1HG   GLU  45          2HG       GLU  45   6.348  -5.423   0.722
  306    H    VAL  46           H        VAL  46   3.473  -5.648   1.176
  307    HA   VAL  46           HA       VAL  46   4.641  -4.189   3.459
  308    HB   VAL  46           HB       VAL  46   2.561  -5.685   4.536
  309   1HG1  VAL  46          1HG1      VAL  46   2.548  -2.733   3.963
  310   2HG1  VAL  46          2HG1      VAL  46   1.669  -3.575   5.240
  311   3HG1  VAL  46          3HG1      VAL  46   3.432  -3.505   5.284
  312   1HG2  VAL  46          1HG2      VAL  46   1.565  -4.198   2.117
  313   2HG2  VAL  46          2HG2      VAL  46   1.507  -5.941   2.386
  314   3HG2  VAL  46          3HG2      VAL  46   0.548  -4.860   3.397
  315    H    ASN  47           H        ASN  47   6.114  -5.360   4.370
  316    HA   ASN  47           HA       ASN  47   7.288  -6.960   5.357
  317   1HB   ASN  47          2HB       ASN  47   6.177  -8.783   6.500
  318   1HD2  ASN  47          1HD2      ASN  47   3.205  -7.113   6.089
  319   2HD2  ASN  47          2HD2      ASN  47   2.301  -8.439   5.438
  320    H    ASP  48           H        ASP  48   5.074  -8.647   3.235
  321    HA   ASP  48           HA       ASP  48   7.292  -9.833   1.772
  322   1HB   ASP  48          2HB       ASP  48   7.036 -11.421   3.611
  323    H    ARG  49           H        ARG  49   4.126  -8.714   2.009
  324    HA   ARG  49           HA       ARG  49   3.229 -10.187  -0.362
  325   1HB   ARG  49          2HB       ARG  49   1.648  -8.658   1.709
  326   1HG   ARG  49          2HG       ARG  49   2.474 -10.833   2.538
  327   1HD   ARG  49          2HD       ARG  49   1.165 -12.822   1.523
  328    HE   ARG  49           HE       ARG  49   3.690 -12.416   1.301
  329   1HH1  ARG  49          2HH1      ARG  49   1.497 -12.527  -1.440
  330   2HH1  ARG  49          1HH1      ARG  49   2.656 -13.266  -2.496
  331   1HH2  ARG  49          2HH2      ARG  49   5.213 -13.354  -0.077
  332   2HH2  ARG  49          1HH2      ARG  49   4.789 -13.727  -1.728
  333    H    GLN  50           H        GLN  50   3.128  -9.145  -2.225
  334    HA   GLN  50           HA       GLN  50   3.034  -6.205  -2.194
  335   1HB   GLN  50          2HB       GLN  50   3.819  -8.084  -4.436
  336   1HG   GLN  50          2HG       GLN  50   5.466  -6.201  -2.781
  337   1HE2  GLN  50          1HE2      GLN  50   7.790  -6.212  -3.354
  338   2HE2  GLN  50          2HE2      GLN  50   8.229  -6.400  -5.015
  339    H    GLY  51           H        GLY  51   1.129  -5.304  -2.618
  340   1HA   GLY  51          1HA       GLY  51  -0.764  -6.607  -4.375
  341   2HA   GLY  51          2HA       GLY  51  -1.219  -6.605  -2.681
  342    H    PHE  52           H        PHE  52  -2.947  -5.449  -4.143
  343    HA   PHE  52           HA       PHE  52  -2.401  -2.612  -4.428
  344   1HB   PHE  52          2HB       PHE  52  -4.709  -4.392  -5.179
  345    HD1  PHE  52           1HD      PHE  52  -3.588  -1.442  -6.979
  346    HD2  PHE  52           2HD      PHE  52  -3.234  -5.672  -6.625
  347    HE1  PHE  52           1HE      PHE  52  -2.486  -1.534  -9.180
  348    HE2  PHE  52           2HE      PHE  52  -2.133  -5.771  -8.821
  349    HZ   PHE  52           HZ       PHE  52  -1.758  -3.699 -10.105
  350    H    VAL  53           H        VAL  53  -3.306  -1.010  -3.278
  351    HA   VAL  53           HA       VAL  53  -5.434  -1.643  -1.361
  352    HB   VAL  53           HB       VAL  53  -4.474  -0.153   0.321
  353   1HG1  VAL  53          1HG1      VAL  53  -3.922  -2.517   0.457
  354   2HG1  VAL  53          2HG1      VAL  53  -2.508  -2.254  -0.561
  355   3HG1  VAL  53          3HG1      VAL  53  -2.588  -1.525   1.045
  356   1HG2  VAL  53          1HG2      VAL  53  -2.167   0.105  -1.601
  357   2HG2  VAL  53          2HG2      VAL  53  -3.257   1.383  -1.064
  358   3HG2  VAL  53          3HG2      VAL  53  -2.134   0.645   0.079
  359    HA   PRO  54           HA       PRO  54  -7.483   1.984  -2.940
  360   1HB   PRO  54          2HB       PRO  54  -7.829   2.839  -0.115
  361   1HG   PRO  54          2HG       PRO  54  -8.773   0.842   0.604
  362   1HD   PRO  54          2HD       PRO  54  -6.534   0.291   0.473
  363    H    ALA  55           H        ALA  55  -6.564   3.773  -3.729
  364    HA   ALA  55           HA       ALA  55  -4.188   4.905  -2.707
  365   1HB   ALA  55          1HB       ALA  55  -4.546   6.667  -4.361
  366   2HB   ALA  55          2HB       ALA  55  -4.801   5.065  -5.055
  367   3HB   ALA  55          3HB       ALA  55  -6.185   6.078  -4.635
  368    H    ALA  56           H        ALA  56  -7.534   5.475  -2.024
  369    HA   ALA  56           HA       ALA  56  -7.160   8.044  -0.799
  370   1HB   ALA  56          1HB       ALA  56  -9.319   7.302  -1.775
  371   2HB   ALA  56          2HB       ALA  56  -9.469   6.126  -0.469
  372   3HB   ALA  56          3HB       ALA  56  -9.462   7.852  -0.107
  373    H    TYR  57           H        TYR  57  -6.254   4.986   0.088
  374    HA   TYR  57           HA       TYR  57  -6.676   5.459   2.967
  375   1HB   TYR  57          2HB       TYR  57  -6.269   2.969   1.343
  376    HD1  TYR  57           1HD      TYR  57  -7.498   1.876   4.291
  377    HD2  TYR  57           2HD      TYR  57  -8.699   4.351   1.041
  378    HE1  TYR  57           1HE      TYR  57  -9.855   1.440   4.833
  379    HE2  TYR  57           2HE      TYR  57 -11.051   3.931   1.579
  380    HH   TYR  57           HH       TYR  57 -12.057   2.556   4.496
  381    H    VAL  58           H        VAL  58  -4.414   5.983   0.698
  382    HA   VAL  58           HA       VAL  58  -2.209   5.645   2.586
  383    HB   VAL  58           HB       VAL  58  -2.657   4.013   0.297
  384   1HG1  VAL  58          1HG1      VAL  58  -0.164   5.669   0.078
  385   2HG1  VAL  58          2HG1      VAL  58  -0.515   4.217  -0.861
  386   3HG1  VAL  58          3HG1      VAL  58  -1.523   5.655  -1.044
  387   1HG2  VAL  58          1HG2      VAL  58  -1.812   3.178   2.378
  388   2HG2  VAL  58          2HG2      VAL  58  -0.644   2.848   1.098
  389   3HG2  VAL  58          3HG2      VAL  58  -0.361   4.171   2.228
  390    H    LYS  59           H        LYS  59  -0.565   7.186   2.362
  391    HA   LYS  59           HA       LYS  59  -0.924   9.175   0.234
  392   1HB   LYS  59          2HB       LYS  59  -2.043   9.947   2.348
  393   1HG   LYS  59          2HG       LYS  59   0.286  11.528   1.303
  394   1HD   LYS  59          2HD       LYS  59  -0.876  13.474   2.427
  395   1HE   LYS  59          2HE       LYS  59   0.466  11.373   4.119
  396   1HZ   LYS  59          1HZ       LYS  59   1.092  13.346   5.491
  397   2HZ   LYS  59          2HZ       LYS  59  -0.539  12.895   5.595
  398   3HZ   LYS  59          3HZ       LYS  59  -0.090  14.235   4.656
  399    H    LYS  60           H        LYS  60   0.908   9.928  -0.622
  400    HA   LYS  60           HA       LYS  60   3.410   8.833  -0.334
  401   1HB   LYS  60          2HB       LYS  60   2.375  11.397  -1.397
  402   1HG   LYS  60          2HG       LYS  60   3.761  10.962  -3.313
  403   1HD   LYS  60          2HD       LYS  60   2.783   8.225  -2.894
  404   1HE   LYS  60          2HE       LYS  60   1.730   8.627  -5.042
  405   1HZ   LYS  60          1HZ       LYS  60   3.644   9.179  -6.378
  406   2HZ   LYS  60          2HZ       LYS  60   4.130   8.186  -5.098
  407   3HZ   LYS  60          3HZ       LYS  60   4.439   9.853  -5.046
  408    H    LEU  61           H        LEU  61   5.007   8.907   1.151
  409    HA   LEU  61           HA       LEU  61   4.823  10.895   3.304
  410   1HB   LEU  61          2HB       LEU  61   6.484   8.393   3.023
  411    HG   LEU  61           HG       LEU  61   4.124   7.986   3.719
  412   1HD1  LEU  61          1HD1      LEU  61   4.701   6.620   5.660
  413   2HD1  LEU  61          2HD1      LEU  61   5.921   6.485   4.394
  414   3HD1  LEU  61          3HD1      LEU  61   6.231   7.480   5.816
  415   1HD2  LEU  61          1HD2      LEU  61   3.529   9.947   4.907
  416   2HD2  LEU  61          2HD2      LEU  61   3.589   8.656   6.101
  417   3HD2  LEU  61          3HD2      LEU  61   4.920   9.806   5.983
  418    H    ASP  62           H        ASP  62   6.195  10.698   0.362
  419    HA   ASP  62           HA       ASP  62   8.432  12.422   1.170
  420   1HB   ASP  62          2HB       ASP  62   9.318  10.254   0.475
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1  16.511  -6.138  -3.352
    2   2H    MET   1          2H        MET   1  18.005  -5.442  -3.733
    3   3H    MET   1          3H        MET   1  17.484  -6.827  -4.553
    4    HA   MET   1           HA       MET   1  17.229  -4.924  -5.951
    5   1HB   MET   1          2HB       MET   1  14.854  -5.135  -6.498
    6   1HG   MET   1          2HG       MET   1  14.578  -6.637  -3.902
    7   1HE   MET   1          1HE       MET   1  12.201  -7.542  -3.177
    8   2HE   MET   1          2HE       MET   1  11.499  -5.962  -3.530
    9   3HE   MET   1          3HE       MET   1  10.760  -7.423  -4.188
   10    H    ASP   2           H        ASP   2  15.715  -4.524  -2.780
   11    HA   ASP   2           HA       ASP   2  16.350  -1.841  -2.513
   12   1HB   ASP   2          2HB       ASP   2  14.527  -1.716  -4.384
   13    H    GLU   3           H        GLU   3  15.808  -1.122  -0.428
   14    HA   GLU   3           HA       GLU   3  14.105  -2.951   1.145
   15   1HB   GLU   3          2HB       GLU   3  16.547  -3.249   1.620
   16   1HG   GLU   3          2HG       GLU   3  16.437  -3.151   4.024
   17    H    THR   4           H        THR   4  12.466  -1.337   0.526
   18    HA   THR   4           HA       THR   4  11.153   0.488   0.841
   19    HB   THR   4           HB       THR   4  10.848   1.262   3.155
   20    HG1  THR   4           1HG      THR   4  13.343   0.067   3.469
   21   1HG2  THR   4          1HG2      THR   4  10.177  -0.846   4.148
   22   2HG2  THR   4          2HG2      THR   4  11.189  -1.737   3.013
   23   3HG2  THR   4          3HG2      THR   4   9.787  -0.839   2.428
   24    H    GLY   5           H        GLY   5  13.684   1.089  -0.301
   25   1HA   GLY   5          1HA       GLY   5  14.197   3.778   0.836
   26   2HA   GLY   5          2HA       GLY   5  15.411   2.824  -0.011
   27    H    LYS   6           H        LYS   6  12.214   4.263  -0.463
   28    HA   LYS   6           HA       LYS   6  12.730   5.300  -3.023
   29   1HB   LYS   6          2HB       LYS   6  11.336   3.736  -4.367
   30   1HG   LYS   6          2HG       LYS   6  11.544   1.920  -1.977
   31   1HD   LYS   6          2HD       LYS   6  11.914   0.813  -4.199
   32   1HE   LYS   6          2HE       LYS   6   9.045   1.626  -4.626
   33   1HZ   LYS   6          1HZ       LYS   6   9.281   0.435  -6.716
   34   2HZ   LYS   6          2HZ       LYS   6   9.502  -0.621  -5.407
   35   3HZ   LYS   6          3HZ       LYS   6  10.841  -0.067  -6.280
   36    H    GLU   7           H        GLU   7   9.997   4.724  -3.960
   37    HA   GLU   7           HA       GLU   7   8.751   6.937  -2.683
   38   1HB   GLU   7          2HB       GLU   7   8.447   6.199  -5.087
   39   1HG   GLU   7          2HG       GLU   7   6.127   6.772  -5.300
   40    H    LEU   8           H        LEU   8   8.061   6.792  -0.657
   41    HA   LEU   8           HA       LEU   8   6.796   4.293   0.221
   42   1HB   LEU   8          2HB       LEU   8   8.287   6.384   1.793
   43    HG   LEU   8           HG       LEU   8   9.707   4.723   0.626
   44   1HD1  LEU   8          1HD1      LEU   8  10.495   5.711   2.692
   45   2HD1  LEU   8          2HD1      LEU   8   9.614   4.506   3.633
   46   3HD1  LEU   8          3HD1      LEU   8  10.974   4.015   2.622
   47   1HD2  LEU   8          1HD2      LEU   8   9.664   2.385   1.415
   48   2HD2  LEU   8          2HD2      LEU   8   8.191   2.745   2.314
   49   3HD2  LEU   8          3HD2      LEU   8   8.195   2.848   0.553
   50    H    VAL   9           H        VAL   9   5.109   4.401   1.717
   51    HA   VAL   9           HA       VAL   9   3.612   6.917   1.827
   52    HB   VAL   9           HB       VAL   9   1.486   5.537   1.378
   53   1HG1  VAL   9          1HG1      VAL   9   3.386   6.125  -0.882
   54   2HG1  VAL   9          2HG1      VAL   9   1.643   5.899  -1.029
   55   3HG1  VAL   9          3HG1      VAL   9   2.281   7.268  -0.119
   56   1HG2  VAL   9          1HG2      VAL   9   3.519   3.757   0.042
   57   2HG2  VAL   9          2HG2      VAL   9   2.518   3.335   1.434
   58   3HG2  VAL   9          3HG2      VAL   9   1.767   3.639  -0.131
   59    H    LEU  10           H        LEU  10   1.897   6.879   3.399
   60    HA   LEU  10           HA       LEU  10   2.384   4.944   5.566
   61   1HB   LEU  10          2HB       LEU  10   2.835   7.257   6.202
   62    HG   LEU  10           HG       LEU  10   0.351   6.077   7.412
   63   1HD1  LEU  10          1HD1      LEU  10   1.827   5.788   9.353
   64   2HD1  LEU  10          2HD1      LEU  10   2.435   4.958   7.921
   65   3HD1  LEU  10          3HD1      LEU  10   3.158   6.485   8.432
   66   1HD2  LEU  10          1HD2      LEU  10   1.696   8.646   8.221
   67   2HD2  LEU  10          2HD2      LEU  10   0.066   8.470   7.564
   68   3HD2  LEU  10          3HD2      LEU  10   0.459   7.798   9.149
   69    H    ALA  11           H        ALA  11   0.682   3.764   6.346
   70    HA   ALA  11           HA       ALA  11  -1.788   3.835   4.856
   71   1HB   ALA  11          1HB       ALA  11  -1.278   2.181   7.313
   72   2HB   ALA  11          2HB       ALA  11  -2.355   1.840   5.958
   73   3HB   ALA  11          3HB       ALA  11  -0.604   1.744   5.737
   74    H    LEU  12           H        LEU  12  -3.237   5.387   5.336
   75    HA   LEU  12           HA       LEU  12  -3.326   6.687   7.871
   76   1HB   LEU  12          2HB       LEU  12  -5.025   6.813   5.402
   77    HG   LEU  12           HG       LEU  12  -3.319   8.869   6.794
   78   1HD1  LEU  12          1HD1      LEU  12  -3.034   7.512   4.137
   79   2HD1  LEU  12          2HD1      LEU  12  -2.060   8.875   4.694
   80   3HD1  LEU  12          3HD1      LEU  12  -1.984   7.335   5.548
   81   1HD2  LEU  12          1HD2      LEU  12  -5.080   9.146   4.361
   82   2HD2  LEU  12          2HD2      LEU  12  -5.331   9.920   5.927
   83   3HD2  LEU  12          3HD2      LEU  12  -3.937  10.364   4.935
   84    H    TYR  13           H        TYR  13  -5.178   4.124   6.374
   85    HA   TYR  13           HA       TYR  13  -6.769   3.928   8.836
   86   1HB   TYR  13          2HB       TYR  13  -8.010   3.311   6.170
   87    HD1  TYR  13           1HD      TYR  13  -8.669   6.110   8.535
   88    HD2  TYR  13           2HD      TYR  13  -7.642   4.956   4.576
   89    HE1  TYR  13           1HE      TYR  13  -8.928   8.441   7.794
   90    HE2  TYR  13           2HE      TYR  13  -7.888   7.279   3.819
   91    HH   TYR  13           HH       TYR  13  -8.109   9.898   5.967
   92    H    ASP  14           H        ASP  14  -7.875   1.780   8.950
   93    HA   ASP  14           HA       ASP  14  -6.072  -0.345   8.225
   94   1HB   ASP  14          2HB       ASP  14  -7.101  -0.399  10.436
   95    H    TYR  15           H        TYR  15  -6.349  -1.716   6.597
   96    HA   TYR  15           HA       TYR  15  -8.901  -1.689   5.149
   97   1HB   TYR  15          2HB       TYR  15  -7.496  -0.214   3.863
   98    HD1  TYR  15           1HD      TYR  15  -5.837  -2.798   2.125
   99    HD2  TYR  15           2HD      TYR  15  -9.689  -1.112   2.750
  100    HE1  TYR  15           1HE      TYR  15  -6.624  -3.844   0.041
  101    HE2  TYR  15           2HE      TYR  15 -10.489  -2.156   0.674
  102    HH   TYR  15           HH       TYR  15  -8.666  -4.531  -1.004
  103    H    GLN  16           H        GLN  16  -9.507  -3.621   4.268
  104    HA   GLN  16           HA       GLN  16  -7.751  -5.913   4.894
  105   1HB   GLN  16          2HB       GLN  16  -9.952  -5.747   6.142
  106   1HG   GLN  16          2HG       GLN  16 -10.747  -8.091   5.521
  107   1HE2  GLN  16          1HE2      GLN  16  -9.339  -6.492   7.493
  108   2HE2  GLN  16          2HE2      GLN  16  -8.198  -7.557   8.250
  109    H    GLU  17           H        GLU  17  -7.174  -7.224   3.265
  110    HA   GLU  17           HA       GLU  17  -7.558  -6.516   0.571
  111   1HB   GLU  17          2HB       GLU  17  -6.448  -8.635   0.065
  112   1HG   GLU  17          2HG       GLU  17  -7.072  -9.283   2.925
  113    H    LYS  18           H        LYS  18  -8.783  -7.475  -1.076
  114    HA   LYS  18           HA       LYS  18 -11.212  -8.847  -0.159
  115   1HB   LYS  18          2HB       LYS  18 -10.623  -7.573  -2.849
  116   1HG   LYS  18          2HG       LYS  18 -12.370  -6.521  -0.627
  117   1HD   LYS  18          2HD       LYS  18 -13.084  -6.075  -3.023
  118   1HE   LYS  18          2HE       LYS  18 -11.843  -4.134  -4.066
  119   1HZ   LYS  18          1HZ       LYS  18 -11.663  -6.496  -4.864
  120   2HZ   LYS  18          2HZ       LYS  18 -10.191  -6.599  -4.017
  121   3HZ   LYS  18          3HZ       LYS  18 -10.371  -5.481  -5.273
  122    H    SER  19           H        SER  19  -8.589  -9.015  -2.487
  123    HA   SER  19           HA       SER  19  -8.744 -11.931  -2.412
  124   1HB   SER  19          2HB       SER  19  -8.559 -10.271  -4.952
  125    HG   SER  19           HG       SER  19 -10.611 -11.616  -3.663
  126    HA   PRO  20           HA       PRO  20  -4.330 -11.894  -2.009
  127   1HB   PRO  20          2HB       PRO  20  -4.113 -13.298  -4.638
  128   1HG   PRO  20          2HG       PRO  20  -5.464 -15.073  -3.898
  129   1HD   PRO  20          2HD       PRO  20  -6.898 -13.358  -4.549
  130    H    ALA  21           H        ALA  21  -5.660 -10.587  -4.935
  131    HA   ALA  21           HA       ALA  21  -3.252  -9.421  -5.928
  132   1HB   ALA  21          1HB       ALA  21  -5.129  -9.719  -7.421
  133   2HB   ALA  21          2HB       ALA  21  -6.131  -8.668  -6.418
  134   3HB   ALA  21          3HB       ALA  21  -4.747  -8.001  -7.287
  135    H    GLU  22           H        GLU  22  -5.527  -8.626  -3.472
  136    HA   GLU  22           HA       GLU  22  -4.310  -5.981  -3.077
  137   1HB   GLU  22          2HB       GLU  22  -6.789  -7.202  -1.831
  138   1HG   GLU  22          2HG       GLU  22  -7.831  -5.101  -2.910
  139    H    VAL  23           H        VAL  23  -3.701  -5.404  -0.849
  140    HA   VAL  23           HA       VAL  23  -3.144  -7.762   0.820
  141    HB   VAL  23           HB       VAL  23  -1.164  -6.468   1.748
  142   1HG1  VAL  23          1HG1      VAL  23   0.330  -7.166  -0.088
  143   2HG1  VAL  23          2HG1      VAL  23  -0.851  -8.402   0.343
  144   3HG1  VAL  23          3HG1      VAL  23  -1.085  -7.428  -1.108
  145   1HG2  VAL  23          1HG2      VAL  23  -1.541  -4.896  -0.794
  146   2HG2  VAL  23          2HG2      VAL  23  -1.727  -4.283   0.848
  147   3HG2  VAL  23          3HG2      VAL  23  -0.143  -4.807   0.277
  148    H    THR  24           H        THR  24  -3.053  -7.383   3.080
  149    HA   THR  24           HA       THR  24  -5.035  -5.403   3.903
  150    HB   THR  24           HB       THR  24  -3.828  -7.753   5.372
  151    HG1  THR  24           1HG      THR  24  -5.231  -8.585   3.930
  152   1HG2  THR  24          1HG2      THR  24  -6.095  -5.950   6.210
  153   2HG2  THR  24          2HG2      THR  24  -4.478  -5.943   6.909
  154   3HG2  THR  24          3HG2      THR  24  -5.506  -7.364   7.085
  155    H    MET  25           H        MET  25  -4.527  -3.635   5.017
  156    HA   MET  25           HA       MET  25  -1.846  -3.435   6.213
  157   1HB   MET  25          2HB       MET  25  -1.672  -1.115   5.481
  158   1HG   MET  25          2HG       MET  25  -4.138  -1.503   3.809
  159   1HE   MET  25          1HE       MET  25  -1.070  -0.446   3.057
  160   2HE   MET  25          2HE       MET  25  -2.328  -0.580   1.830
  161   3HE   MET  25          3HE       MET  25  -1.451   0.936   2.030
  162    H    LYS  26           H        LYS  26  -1.684  -2.015   8.004
  163    HA   LYS  26           HA       LYS  26  -4.269  -1.192   9.149
  164   1HB   LYS  26          2HB       LYS  26  -1.898  -2.419  10.570
  165   1HG   LYS  26          2HG       LYS  26  -3.688  -3.663  11.784
  166   1HD   LYS  26          2HD       LYS  26  -3.622  -4.060   8.795
  167   1HE   LYS  26          2HE       LYS  26  -4.113  -6.423   9.375
  168   1HZ   LYS  26          1HZ       LYS  26  -6.473  -6.082   9.911
  169   2HZ   LYS  26          2HZ       LYS  26  -5.943  -5.052   8.680
  170   3HZ   LYS  26          3HZ       LYS  26  -6.163  -4.445  10.244
  171    H    LYS  27           H        LYS  27  -4.287   0.747  10.298
  172    HA   LYS  27           HA       LYS  27  -2.754   2.845   9.329
  173   1HB   LYS  27          2HB       LYS  27  -4.730   3.515  10.350
  174   1HG   LYS  27          2HG       LYS  27  -4.337   4.772  12.396
  175   1HD   LYS  27          2HD       LYS  27  -1.958   4.990  10.554
  176   1HE   LYS  27          2HE       LYS  27  -3.342   7.089  12.217
  177   1HZ   LYS  27          1HZ       LYS  27  -1.529   8.466  11.659
  178   2HZ   LYS  27          2HZ       LYS  27  -2.091   7.820  10.199
  179   3HZ   LYS  27          3HZ       LYS  27  -0.682   7.199  10.919
  180    H    GLY  28           H        GLY  28  -0.722   3.462   9.672
  181   1HA   GLY  28          1HA       GLY  28   0.982   4.099  11.296
  182   2HA   GLY  28          2HA       GLY  28   0.581   2.637  12.194
  183    H    ASP  29           H        ASP  29   0.420   1.481   9.244
  184    HA   ASP  29           HA       ASP  29   3.147   0.504   9.283
  185   1HB   ASP  29          2HB       ASP  29   0.705  -0.218   7.679
  186    H    ILE  30           H        ILE  30   4.662   0.833   7.721
  187    HA   ILE  30           HA       ILE  30   4.113   3.026   5.855
  188    HB   ILE  30           HB       ILE  30   6.697   1.931   6.970
  189   1HG1  ILE  30          2HG1      ILE  30   7.091   4.305   7.575
  190   1HG2  ILE  30          1HG2      ILE  30   6.437   3.868   4.675
  191   2HG2  ILE  30          2HG2      ILE  30   7.936   3.412   5.482
  192   3HG2  ILE  30          3HG2      ILE  30   7.026   2.209   4.568
  193   1HD1  ILE  30          1HD1      ILE  30   5.415   4.601   9.304
  194   2HD1  ILE  30          2HD1      ILE  30   4.441   3.316   8.588
  195   3HD1  ILE  30          3HD1      ILE  30   6.025   2.946   9.272
  196    H    LEU  31           H        LEU  31   3.733   2.561   3.850
  197    HA   LEU  31           HA       LEU  31   4.281  -0.154   2.895
  198   1HB   LEU  31          2HB       LEU  31   2.289   1.949   2.167
  199    HG   LEU  31           HG       LEU  31   0.644   0.204   2.232
  200   1HD1  LEU  31          1HD1      LEU  31   1.929  -1.568   1.261
  201   2HD1  LEU  31          2HD1      LEU  31   2.937  -1.668   2.709
  202   3HD1  LEU  31          3HD1      LEU  31   1.226  -2.093   2.792
  203   1HD2  LEU  31          1HD2      LEU  31   0.748  -0.487   4.567
  204   2HD2  LEU  31          2HD2      LEU  31   2.445  -0.008   4.638
  205   3HD2  LEU  31          3HD2      LEU  31   1.194   1.208   4.382
  206    H    THR  32           H        THR  32   5.336  -0.543   1.011
  207    HA   THR  32           HA       THR  32   6.869   1.646  -0.154
  208    HB   THR  32           HB       THR  32   6.972  -1.281  -0.920
  209    HG1  THR  32           1HG      THR  32   8.444  -1.596   0.665
  210   1HG2  THR  32          1HG2      THR  32   9.188  -0.713  -1.750
  211   2HG2  THR  32          2HG2      THR  32   8.990   0.945  -1.181
  212   3HG2  THR  32          3HG2      THR  32   7.976   0.338  -2.489
  213    H    LEU  33           H        LEU  33   6.203   2.626  -2.009
  214    HA   LEU  33           HA       LEU  33   3.829   1.629  -3.304
  215   1HB   LEU  33          2HB       LEU  33   5.373   4.119  -3.365
  216    HG   LEU  33           HG       LEU  33   3.159   4.068  -2.340
  217   1HD1  LEU  33          1HD1      LEU  33   2.154   5.954  -3.544
  218   2HD1  LEU  33          2HD1      LEU  33   3.889   6.156  -3.308
  219   3HD1  LEU  33          3HD1      LEU  33   3.262   5.671  -4.885
  220   1HD2  LEU  33          1HD2      LEU  33   2.101   2.322  -3.620
  221   2HD2  LEU  33          2HD2      LEU  33   1.157   3.801  -3.774
  222   3HD2  LEU  33          3HD2      LEU  33   2.207   3.287  -5.092
  223    H    LEU  34           H        LEU  34   3.768   0.254  -4.863
  224    HA   LEU  34           HA       LEU  34   6.210  -0.306  -6.389
  225   1HB   LEU  34          2HB       LEU  34   3.664  -1.926  -6.275
  226    HG   LEU  34           HG       LEU  34   4.586  -1.864  -4.007
  227   1HD1  LEU  34          1HD1      LEU  34   3.558  -3.916  -4.853
  228   2HD1  LEU  34          2HD1      LEU  34   5.135  -4.470  -5.414
  229   3HD1  LEU  34          3HD1      LEU  34   4.839  -4.250  -3.690
  230   1HD2  LEU  34          1HD2      LEU  34   7.114  -2.840  -5.320
  231   2HD2  LEU  34          2HD2      LEU  34   6.881  -1.300  -4.495
  232   3HD2  LEU  34          3HD2      LEU  34   6.821  -2.808  -3.583
  233    H    ASN  35           H        ASN  35   2.722   0.137  -6.804
  234    HA   ASN  35           HA       ASN  35   3.205   1.223  -9.483
  235   1HB   ASN  35          2HB       ASN  35   2.583  -1.244  -9.566
  236   1HD2  ASN  35          1HD2      ASN  35   3.084  -0.832 -11.649
  237   2HD2  ASN  35          2HD2      ASN  35   1.932  -0.251 -12.804
  238    H    SER  36           H        SER  36   2.255   3.136  -9.617
  239    HA   SER  36           HA       SER  36  -0.239   3.586  -8.130
  240   1HB   SER  36          2HB       SER  36   0.656   5.950  -7.725
  241    HG   SER  36           HG       SER  36   3.210   4.815  -7.940
  242    H    THR  37           H        THR  37   0.415   2.976 -10.973
  243    HA   THR  37           HA       THR  37  -0.013   5.389 -12.466
  244    HB   THR  37           HB       THR  37   1.160   3.339 -13.360
  245    HG1  THR  37           1HG      THR  37  -0.935   4.661 -14.722
  246   1HG2  THR  37          1HG2      THR  37  -1.663   2.311 -13.644
  247   2HG2  THR  37          2HG2      THR  37  -0.419   1.644 -12.588
  248   3HG2  THR  37          3HG2      THR  37  -0.221   1.571 -14.340
  249    H    ASN  38           H        ASN  38  -1.984   3.583 -10.553
  250    HA   ASN  38           HA       ASN  38  -4.429   4.319 -12.012
  251   1HB   ASN  38          2HB       ASN  38  -4.056   1.907 -11.295
  252   1HD2  ASN  38          1HD2      ASN  38  -5.837   0.563 -11.038
  253   2HD2  ASN  38          2HD2      ASN  38  -7.454   1.180 -11.004
  254    H    LYS  39           H        LYS  39  -6.060   5.481 -10.811
  255    HA   LYS  39           HA       LYS  39  -4.840   7.124  -8.729
  256   1HB   LYS  39          2HB       LYS  39  -6.399   8.829  -9.249
  257   1HG   LYS  39          2HG       LYS  39  -8.453   7.495  -9.556
  258   1HD   LYS  39          2HD       LYS  39  -7.247   6.840 -12.239
  259   1HE   LYS  39          2HE       LYS  39 -10.055   6.795 -11.232
  260   1HZ   LYS  39          1HZ       LYS  39 -10.596   5.201 -12.985
  261   2HZ   LYS  39          2HZ       LYS  39  -9.652   4.507 -11.762
  262   3HZ   LYS  39          3HZ       LYS  39  -8.943   4.918 -13.251
  263    H    ASP  40           H        ASP  40  -7.133   4.632  -9.095
  264    HA   ASP  40           HA       ASP  40  -8.531   5.366  -6.620
  265   1HB   ASP  40          2HB       ASP  40  -9.076   2.896  -8.252
  266    H    TRP  41           H        TRP  41  -6.299   3.056  -7.959
  267    HA   TRP  41           HA       TRP  41  -6.057   1.733  -5.344
  268   1HB   TRP  41          2HB       TRP  41  -6.177   0.395  -8.057
  269    HD1  TRP  41           HD       TRP  41  -8.742   0.912  -8.455
  270    HE1  TRP  41           1HE      TRP  41 -10.895   0.105  -7.278
  271    HE3  TRP  41           3HE      TRP  41  -6.657  -1.086  -4.242
  272    HZ2  TRP  41           2HZ      TRP  41 -11.602  -1.206  -4.881
  273    HZ3  TRP  41           3HZ      TRP  41  -8.137  -2.092  -2.556
  274    HH2  TRP  41           HH       TRP  41 -10.558  -2.152  -2.869
  275    H    TRP  42           H        TRP  42  -4.034   1.490  -4.631
  276    HA   TRP  42           HA       TRP  42  -1.834   1.819  -6.564
  277   1HB   TRP  42          2HB       TRP  42  -2.107   2.791  -3.720
  278    HD1  TRP  42           HD       TRP  42  -2.741   3.717  -7.111
  279    HE1  TRP  42           1HE      TRP  42  -2.526   6.237  -7.519
  280    HE3  TRP  42           3HE      TRP  42  -0.284   5.001  -2.843
  281    HZ2  TRP  42           2HZ      TRP  42  -1.476   8.490  -6.174
  282    HZ3  TRP  42           3HZ      TRP  42   0.278   7.361  -2.467
  283    HH2  TRP  42           HH       TRP  42  -0.302   9.070  -4.098
  284    H    LYS  43           H        LYS  43  -0.495   0.114  -6.743
  285    HA   LYS  43           HA       LYS  43  -0.836  -2.131  -4.939
  286   1HB   LYS  43          2HB       LYS  43  -0.569  -2.536  -7.372
  287   1HG   LYS  43          2HG       LYS  43   1.813  -3.607  -5.853
  288   1HD   LYS  43          2HD       LYS  43   1.901  -5.350  -7.373
  289   1HE   LYS  43          2HE       LYS  43   0.859  -3.123  -9.116
  290   1HZ   LYS  43          1HZ       LYS  43   0.930  -5.181 -10.310
  291   2HZ   LYS  43          2HZ       LYS  43   2.491  -5.523  -9.746
  292   3HZ   LYS  43          3HZ       LYS  43   2.240  -4.225 -10.817
  293    H    VAL  44           H        VAL  44   0.326  -2.426  -3.176
  294    HA   VAL  44           HA       VAL  44   2.871  -0.972  -2.914
  295    HB   VAL  44           HB       VAL  44   2.293  -0.591  -0.510
  296   1HG1  VAL  44          1HG1      VAL  44   0.453   0.663  -2.544
  297   2HG1  VAL  44          2HG1      VAL  44   0.776   1.299  -0.931
  298   3HG1  VAL  44          3HG1      VAL  44   2.076   1.210  -2.120
  299   1HG2  VAL  44          1HG2      VAL  44   0.590  -2.305  -0.259
  300   2HG2  VAL  44          2HG2      VAL  44  -0.067  -0.721   0.151
  301   3HG2  VAL  44          3HG2      VAL  44  -0.455  -1.462  -1.403
  302    H    GLU  45           H        GLU  45   4.200  -1.739  -1.123
  303    HA   GLU  45           HA       GLU  45   4.140  -4.679  -0.928
  304   1HB   GLU  45          2HB       GLU  45   6.051  -3.797  -2.147
  305   1HG   GLU  45          2HG       GLU  45   6.791  -4.706   0.614
  306    H    VAL  46           H        VAL  46   3.642  -5.463   1.034
  307    HA   VAL  46           HA       VAL  46   4.485  -3.917   3.408
  308    HB   VAL  46           HB       VAL  46   2.480  -5.773   4.177
  309   1HG1  VAL  46          1HG1      VAL  46   1.448  -3.849   5.154
  310   2HG1  VAL  46          2HG1      VAL  46   3.201  -3.715   5.327
  311   3HG1  VAL  46          3HG1      VAL  46   2.359  -2.767   4.095
  312   1HG2  VAL  46          1HG2      VAL  46   0.518  -4.892   3.037
  313   2HG2  VAL  46          2HG2      VAL  46   1.555  -3.924   1.991
  314   3HG2  VAL  46          3HG2      VAL  46   1.622  -5.683   1.913
  315    H    ASN  47           H        ASN  47   6.222  -4.911   4.139
  316    HA   ASN  47           HA       ASN  47   7.367  -6.404   5.405
  317   1HB   ASN  47          2HB       ASN  47   4.856  -8.088   5.281
  318   1HD2  ASN  47          1HD2      ASN  47   3.282  -7.646   6.775
  319   2HD2  ASN  47          2HD2      ASN  47   3.284  -6.225   7.757
  320    H    ASP  48           H        ASP  48   5.490  -8.082   2.929
  321    HA   ASP  48           HA       ASP  48   7.784  -9.153   1.617
  322   1HB   ASP  48          2HB       ASP  48   7.656 -10.686   3.587
  323    H    ARG  49           H        ARG  49   4.502  -8.421   1.883
  324    HA   ARG  49           HA       ARG  49   3.759 -10.038  -0.455
  325   1HB   ARG  49          2HB       ARG  49   2.019  -8.618   1.576
  326   1HG   ARG  49          2HG       ARG  49   3.086 -10.690   2.448
  327   1HD   ARG  49          2HD       ARG  49   1.918 -12.817   1.528
  328    HE   ARG  49           HE       ARG  49   4.420 -11.964   1.092
  329   1HH1  ARG  49          2HH1      ARG  49   2.059 -13.366  -1.105
  330   2HH1  ARG  49          1HH1      ARG  49   3.255 -14.197  -2.045
  331   1HH2  ARG  49          2HH2      ARG  49   5.986 -13.049  -0.157
  332   2HH2  ARG  49          1HH2      ARG  49   5.484 -14.030  -1.512
  333    H    GLN  50           H        GLN  50   2.839  -9.105  -2.254
  334    HA   GLN  50           HA       GLN  50   2.960  -6.157  -2.383
  335   1HB   GLN  50          2HB       GLN  50   3.435  -8.132  -4.624
  336   1HG   GLN  50          2HG       GLN  50   5.413  -6.334  -3.254
  337   1HE2  GLN  50          1HE2      GLN  50   4.560  -8.314  -5.949
  338   2HE2  GLN  50          2HE2      GLN  50   5.995  -8.040  -6.882
  339    H    GLY  51           H        GLY  51   0.936  -5.364  -2.431
  340   1HA   GLY  51          1HA       GLY  51  -1.003  -6.585  -4.233
  341   2HA   GLY  51          2HA       GLY  51  -1.408  -6.622  -2.525
  342    H    PHE  52           H        PHE  52  -2.988  -5.401  -4.396
  343    HA   PHE  52           HA       PHE  52  -2.504  -2.574  -4.486
  344   1HB   PHE  52          2HB       PHE  52  -4.809  -4.340  -5.297
  345    HD1  PHE  52           1HD      PHE  52  -3.763  -1.388  -7.122
  346    HD2  PHE  52           2HD      PHE  52  -3.218  -5.587  -6.684
  347    HE1  PHE  52           1HE      PHE  52  -2.687  -1.478  -9.330
  348    HE2  PHE  52           2HE      PHE  52  -2.135  -5.679  -8.895
  349    HZ   PHE  52           HZ       PHE  52  -1.839  -3.589 -10.206
  350    H    VAL  53           H        VAL  53  -3.458  -0.985  -3.361
  351    HA   VAL  53           HA       VAL  53  -5.572  -1.624  -1.437
  352    HB   VAL  53           HB       VAL  53  -4.564  -0.203   0.270
  353   1HG1  VAL  53          1HG1      VAL  53  -2.710  -1.633   0.944
  354   2HG1  VAL  53          2HG1      VAL  53  -4.053  -2.589   0.317
  355   3HG1  VAL  53          3HG1      VAL  53  -2.630  -2.306  -0.685
  356   1HG2  VAL  53          1HG2      VAL  53  -3.345   1.340  -1.127
  357   2HG2  VAL  53          2HG2      VAL  53  -2.237   0.596   0.027
  358   3HG2  VAL  53          3HG2      VAL  53  -2.255   0.056  -1.654
  359    HA   PRO  54           HA       PRO  54  -7.533   2.092  -2.921
  360   1HB   PRO  54          2HB       PRO  54  -7.819   2.930  -0.086
  361   1HG   PRO  54          2HG       PRO  54  -8.817   0.955   0.627
  362   1HD   PRO  54          2HD       PRO  54  -6.574   0.378   0.474
  363    H    ALA  55           H        ALA  55  -6.528   3.821  -3.730
  364    HA   ALA  55           HA       ALA  55  -4.111   4.862  -2.703
  365   1HB   ALA  55          1HB       ALA  55  -4.424   6.656  -4.364
  366   2HB   ALA  55          2HB       ALA  55  -4.642   5.041  -5.049
  367   3HB   ALA  55          3HB       ALA  55  -6.049   6.045  -4.679
  368    H    ALA  56           H        ALA  56  -7.401   5.492  -1.943
  369    HA   ALA  56           HA       ALA  56  -6.964   8.115  -0.817
  370   1HB   ALA  56          1HB       ALA  56  -9.118   7.487  -1.849
  371   2HB   ALA  56          2HB       ALA  56  -9.364   6.303  -0.563
  372   3HB   ALA  56          3HB       ALA  56  -9.297   8.023  -0.178
  373    H    TYR  57           H        TYR  57  -6.080   5.125   0.164
  374    HA   TYR  57           HA       TYR  57  -6.647   5.642   3.014
  375   1HB   TYR  57          2HB       TYR  57  -6.178   3.118   1.462
  376    HD1  TYR  57           1HD      TYR  57  -7.469   2.111   4.402
  377    HD2  TYR  57           2HD      TYR  57  -8.621   4.482   1.061
  378    HE1  TYR  57           1HE      TYR  57  -9.827   1.660   4.902
  379    HE2  TYR  57           2HE      TYR  57 -10.982   4.043   1.555
  380    HH   TYR  57           HH       TYR  57 -12.299   2.194   2.747
  381    H    VAL  58           H        VAL  58  -4.302   6.214   0.878
  382    HA   VAL  58           HA       VAL  58  -2.152   5.647   2.792
  383    HB   VAL  58           HB       VAL  58  -2.580   4.379   0.307
  384   1HG1  VAL  58          1HG1      VAL  58  -0.162   6.161   0.254
  385   2HG1  VAL  58          2HG1      VAL  58  -0.416   4.786  -0.822
  386   3HG1  VAL  58          3HG1      VAL  58  -1.518   6.162  -0.874
  387   1HG2  VAL  58          1HG2      VAL  58  -1.652   3.322   2.270
  388   2HG2  VAL  58          2HG2      VAL  58  -0.570   3.126   0.891
  389   3HG2  VAL  58          3HG2      VAL  58  -0.197   4.315   2.141
  390    H    LYS  59           H        LYS  59  -0.436   7.129   2.796
  391    HA   LYS  59           HA       LYS  59  -0.881   9.591   1.220
  392   1HB   LYS  59          2HB       LYS  59  -1.454  10.014   3.553
  393   1HG   LYS  59          2HG       LYS  59   1.097  11.207   2.564
  394   1HD   LYS  59          2HD       LYS  59   0.989  12.818   4.456
  395   1HE   LYS  59          2HE       LYS  59   1.462   9.974   5.364
  396   1HZ   LYS  59          1HZ       LYS  59   3.065  10.987   6.837
  397   2HZ   LYS  59          2HZ       LYS  59   1.538  11.671   7.117
  398   3HZ   LYS  59          3HZ       LYS  59   2.704  12.529   6.234
  399    H    LYS  60           H        LYS  60   0.788  10.346   0.118
  400    HA   LYS  60           HA       LYS  60   3.255   9.028  -0.117
  401   1HB   LYS  60          2HB       LYS  60   2.575  11.917  -0.704
  402   1HG   LYS  60          2HG       LYS  60   1.208  10.210  -1.911
  403   1HD   LYS  60          2HD       LYS  60   3.527   8.822  -2.143
  404   1HE   LYS  60          2HE       LYS  60   4.092   8.817  -4.549
  405   1HZ   LYS  60          1HZ       LYS  60   4.495  11.433  -3.205
  406   2HZ   LYS  60          2HZ       LYS  60   5.335  10.905  -4.574
  407   3HZ   LYS  60          3HZ       LYS  60   5.515  10.076  -3.107
  408    H    LEU  61           H        LEU  61   4.801   8.859   1.376
  409    HA   LEU  61           HA       LEU  61   5.154  10.862   3.414
  410   1HB   LEU  61          2HB       LEU  61   7.005   8.613   2.594
  411    HG   LEU  61           HG       LEU  61   4.885   7.669   3.387
  412   1HD1  LEU  61          1HD1      LEU  61   7.129   7.478   5.374
  413   2HD1  LEU  61          2HD1      LEU  61   5.766   6.366   5.263
  414   3HD1  LEU  61          3HD1      LEU  61   6.914   6.488   3.929
  415   1HD2  LEU  61          1HD2      LEU  61   4.271   8.043   5.791
  416   2HD2  LEU  61          2HD2      LEU  61   5.357   9.429   5.778
  417   3HD2  LEU  61          3HD2      LEU  61   3.949   9.398   4.714
  418    H    ASP  62           H        ASP  62   6.523   9.992   0.349
  419    HA   ASP  62           HA       ASP  62   7.639  11.193  -1.239
  420   1HB   ASP  62          2HB       ASP  62   5.569  12.647  -0.585
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  17.361  -8.784  -1.914
    2   2H    MET   1          2H        MET   1  15.674  -8.664  -1.762
    3   3H    MET   1          3H        MET   1  16.452 -10.136  -1.446
    4    HA   MET   1           HA       MET   1  15.799  -9.049   0.590
    5   1HB   MET   1          2HB       MET   1  17.868 -10.455   0.474
    6   1HG   MET   1          2HG       MET   1  18.038  -8.159   2.413
    7   1HE   MET   1          1HE       MET   1  19.261  -8.485   4.722
    8   2HE   MET   1          2HE       MET   1  18.379  -9.990   4.983
    9   3HE   MET   1          3HE       MET   1  20.132  -9.949   5.178
   10    H    ASP   2           H        ASP   2  16.617  -6.928  -1.782
   11    HA   ASP   2           HA       ASP   2  16.956  -4.719   0.137
   12   1HB   ASP   2          2HB       ASP   2  17.857  -3.427  -1.812
   13    H    GLU   3           H        GLU   3  14.490  -5.568   0.053
   14    HA   GLU   3           HA       GLU   3  13.034  -4.021  -1.961
   15   1HB   GLU   3          2HB       GLU   3  12.171  -6.324  -0.189
   16   1HG   GLU   3          2HG       GLU   3  11.630  -7.446  -2.319
   17    H    THR   4           H        THR   4  10.709  -3.614  -0.766
   18    HA   THR   4           HA       THR   4   9.710  -1.868   0.316
   19    HB   THR   4           HB       THR   4   9.643  -3.845   1.900
   20    HG1  THR   4           1HG      THR   4   8.758  -1.449   2.167
   21   1HG2  THR   4          1HG2      THR   4  10.857  -3.638   4.018
   22   2HG2  THR   4          2HG2      THR   4  11.726  -2.241   3.385
   23   3HG2  THR   4          3HG2      THR   4  11.964  -3.830   2.657
   24    H    GLY   5           H        GLY   5  12.422  -1.215  -0.609
   25   1HA   GLY   5          1HA       GLY   5  13.074   0.905   1.339
   26   2HA   GLY   5          2HA       GLY   5  14.319  -0.009   0.499
   27    H    LYS   6           H        LYS   6  11.311   1.510  -0.570
   28    HA   LYS   6           HA       LYS   6  12.777   3.476  -2.101
   29   1HB   LYS   6          2HB       LYS   6  11.416   2.995  -4.182
   30   1HG   LYS   6          2HG       LYS   6   9.843   1.310  -3.114
   31   1HD   LYS   6          2HD       LYS   6  12.327  -0.356  -3.414
   32   1HE   LYS   6          2HE       LYS   6  10.817  -2.291  -2.867
   33   1HZ   LYS   6          1HZ       LYS   6  10.048  -1.167  -5.487
   34   2HZ   LYS   6          2HZ       LYS   6  10.397  -2.776  -5.067
   35   3HZ   LYS   6          3HZ       LYS   6  11.647  -1.639  -5.194
   36    H    GLU   7           H        GLU   7  10.480   4.274  -3.636
   37    HA   GLU   7           HA       GLU   7   9.377   6.260  -2.230
   38   1HB   GLU   7          2HB       GLU   7   8.972   5.656  -4.650
   39   1HG   GLU   7          2HG       GLU   7   6.657   6.542  -4.795
   40    H    LEU   8           H        LEU   8   8.452   6.353  -0.267
   41    HA   LEU   8           HA       LEU   8   6.859   4.045   0.613
   42   1HB   LEU   8          2HB       LEU   8   8.324   6.147   2.195
   43    HG   LEU   8           HG       LEU   8   9.754   4.318   1.335
   44   1HD1  LEU   8          1HD1      LEU   8   9.306   4.249   4.313
   45   2HD1  LEU   8          2HD1      LEU   8  10.762   3.717   3.471
   46   3HD1  LEU   8          3HD1      LEU   8  10.301   5.420   3.447
   47   1HD2  LEU   8          1HD2      LEU   8   7.905   2.568   2.939
   48   2HD2  LEU   8          2HD2      LEU   8   8.142   2.537   1.189
   49   3HD2  LEU   8          3HD2      LEU   8   9.454   2.055   2.266
   50    H    VAL   9           H        VAL   9   5.067   4.375   1.943
   51    HA   VAL   9           HA       VAL   9   3.743   6.988   1.824
   52    HB   VAL   9           HB       VAL   9   1.556   5.700   1.358
   53   1HG1  VAL   9          1HG1      VAL   9   2.444   7.296  -0.200
   54   2HG1  VAL   9          2HG1      VAL   9   3.598   6.113  -0.816
   55   3HG1  VAL   9          3HG1      VAL   9   1.870   5.880  -1.077
   56   1HG2  VAL   9          1HG2      VAL   9   2.518   3.450   1.578
   57   2HG2  VAL   9          2HG2      VAL   9   1.764   3.698   0.003
   58   3HG2  VAL   9          3HG2      VAL   9   3.519   3.752   0.158
   59    H    LEU  10           H        LEU  10   1.889   7.093   3.276
   60    HA   LEU  10           HA       LEU  10   2.258   5.380   5.641
   61   1HB   LEU  10          2HB       LEU  10   2.561   7.742   6.099
   62    HG   LEU  10           HG       LEU  10  -0.038   6.651   7.142
   63   1HD1  LEU  10          1HD1      LEU  10   2.628   7.199   8.435
   64   2HD1  LEU  10          2HD1      LEU  10   1.205   6.544   9.244
   65   3HD1  LEU  10          3HD1      LEU  10   1.997   5.620   7.968
   66   1HD2  LEU  10          1HD2      LEU  10  -0.113   8.548   8.701
   67   2HD2  LEU  10          2HD2      LEU  10   1.218   9.306   7.826
   68   3HD2  LEU  10          3HD2      LEU  10  -0.334   9.048   7.023
   69    H    ALA  11           H        ALA  11   0.625   4.085   6.292
   70    HA   ALA  11           HA       ALA  11  -1.793   4.006   4.705
   71   1HB   ALA  11          1HB       ALA  11  -0.699   1.925   5.483
   72   2HB   ALA  11          2HB       ALA  11  -1.068   2.377   7.149
   73   3HB   ALA  11          3HB       ALA  11  -2.377   2.048   6.012
   74    H    LEU  12           H        LEU  12  -3.312   5.495   5.109
   75    HA   LEU  12           HA       LEU  12  -3.533   6.831   7.610
   76   1HB   LEU  12          2HB       LEU  12  -5.203   6.843   5.112
   77    HG   LEU  12           HG       LEU  12  -3.538   8.962   6.463
   78   1HD1  LEU  12          1HD1      LEU  12  -2.261   7.404   5.123
   79   2HD1  LEU  12          2HD1      LEU  12  -3.321   7.702   3.743
   80   3HD1  LEU  12          3HD1      LEU  12  -2.303   8.999   4.373
   81   1HD2  LEU  12          1HD2      LEU  12  -5.593   9.978   5.671
   82   2HD2  LEU  12          2HD2      LEU  12  -4.253  10.441   4.622
   83   3HD2  LEU  12          3HD2      LEU  12  -5.394   9.203   4.099
   84    H    TYR  13           H        TYR  13  -5.317   4.201   6.088
   85    HA   TYR  13           HA       TYR  13  -6.912   3.985   8.550
   86   1HB   TYR  13          2HB       TYR  13  -8.017   3.325   5.820
   87    HD1  TYR  13           1HD      TYR  13  -8.825   5.887   8.388
   88    HD2  TYR  13           2HD      TYR  13  -7.850   5.095   4.329
   89    HE1  TYR  13           1HE      TYR  13  -9.279   8.233   7.836
   90    HE2  TYR  13           2HE      TYR  13  -8.292   7.443   3.755
   91    HH   TYR  13           HH       TYR  13  -9.687   9.313   4.680
   92    H    ASP  14           H        ASP  14  -7.933   1.802   8.762
   93    HA   ASP  14           HA       ASP  14  -5.917  -0.234   8.244
   94   1HB   ASP  14          2HB       ASP  14  -7.124   0.130  10.493
   95    H    TYR  15           H        TYR  15  -6.067  -1.472   6.481
   96    HA   TYR  15           HA       TYR  15  -8.729  -1.769   5.257
   97   1HB   TYR  15          2HB       TYR  15  -7.352  -0.323   3.868
   98    HD1  TYR  15           1HD      TYR  15  -5.868  -2.885   2.019
   99    HD2  TYR  15           2HD      TYR  15  -9.693  -1.300   3.008
  100    HE1  TYR  15           1HE      TYR  15  -6.803  -3.897  -0.006
  101    HE2  TYR  15           2HE      TYR  15 -10.641  -2.323   0.983
  102    HH   TYR  15           HH       TYR  15  -9.897  -3.123  -1.197
  103    H    GLN  16           H        GLN  16  -9.356  -3.747   4.592
  104    HA   GLN  16           HA       GLN  16  -7.541  -5.990   5.187
  105   1HB   GLN  16          2HB       GLN  16  -9.638  -5.835   6.573
  106   1HG   GLN  16          2HG       GLN  16 -10.564  -8.176   5.644
  107   1HE2  GLN  16          1HE2      GLN  16  -7.887  -6.568   7.179
  108   2HE2  GLN  16          2HE2      GLN  16  -7.712  -7.697   8.478
  109    H    GLU  17           H        GLU  17  -7.051  -7.360   3.527
  110    HA   GLU  17           HA       GLU  17  -7.690  -6.589   0.891
  111   1HB   GLU  17          2HB       GLU  17  -6.647  -8.791   0.243
  112   1HG   GLU  17          2HG       GLU  17  -5.295  -9.917   2.013
  113    H    LYS  18           H        LYS  18  -8.905  -7.684  -0.712
  114    HA   LYS  18           HA       LYS  18 -11.237  -9.087   0.401
  115   1HB   LYS  18          2HB       LYS  18 -10.949  -7.689  -2.270
  116   1HG   LYS  18          2HG       LYS  18 -12.524  -6.741   0.120
  117   1HD   LYS  18          2HD       LYS  18 -13.413  -6.056  -2.055
  118   1HE   LYS  18          2HE       LYS  18 -10.666  -4.887  -2.497
  119   1HZ   LYS  18          1HZ       LYS  18 -13.106  -4.775  -4.184
  120   2HZ   LYS  18          2HZ       LYS  18 -11.559  -4.291  -4.679
  121   3HZ   LYS  18          3HZ       LYS  18 -12.347  -3.462  -3.420
  122    H    SER  19           H        SER  19  -8.918  -9.091  -2.258
  123    HA   SER  19           HA       SER  19  -9.179 -11.997  -2.441
  124   1HB   SER  19          2HB       SER  19  -9.008 -11.733  -4.963
  125    HG   SER  19           HG       SER  19  -9.112  -9.077  -4.204
  126    HA   PRO  20           HA       PRO  20  -4.793 -12.383  -2.611
  127   1HB   PRO  20          2HB       PRO  20  -4.955 -13.099  -5.513
  128   1HG   PRO  20          2HG       PRO  20  -6.331 -14.945  -5.043
  129   1HD   PRO  20          2HD       PRO  20  -7.722 -13.089  -5.081
  130    H    ALA  21           H        ALA  21  -6.241 -10.405  -5.098
  131    HA   ALA  21           HA       ALA  21  -3.792  -9.263  -6.042
  132   1HB   ALA  21          1HB       ALA  21  -5.171  -7.662  -7.223
  133   2HB   ALA  21          2HB       ALA  21  -5.818  -9.292  -7.425
  134   3HB   ALA  21          3HB       ALA  21  -6.590  -8.172  -6.302
  135    H    GLU  22           H        GLU  22  -5.999  -8.546  -3.440
  136    HA   GLU  22           HA       GLU  22  -4.645  -6.000  -2.914
  137   1HB   GLU  22          2HB       GLU  22  -7.076  -7.241  -1.597
  138   1HG   GLU  22          2HG       GLU  22  -8.189  -5.134  -2.491
  139    H    VAL  23           H        VAL  23  -3.881  -5.552  -0.723
  140    HA   VAL  23           HA       VAL  23  -3.311  -7.967   0.859
  141    HB   VAL  23           HB       VAL  23  -1.219  -6.803   1.671
  142   1HG1  VAL  23          1HG1      VAL  23  -1.344  -7.621  -1.224
  143   2HG1  VAL  23          2HG1      VAL  23   0.127  -7.494  -0.264
  144   3HG1  VAL  23          3HG1      VAL  23  -1.102  -8.681   0.163
  145   1HG2  VAL  23          1HG2      VAL  23  -1.680  -4.551   0.954
  146   2HG2  VAL  23          2HG2      VAL  23  -0.222  -5.130   0.143
  147   3HG2  VAL  23          3HG2      VAL  23  -1.753  -5.061  -0.734
  148    H    THR  24           H        THR  24  -3.065  -7.596   3.136
  149    HA   THR  24           HA       THR  24  -4.869  -5.505   4.052
  150    HB   THR  24           HB       THR  24  -3.712  -7.926   5.435
  151    HG1  THR  24           1HG      THR  24  -5.811  -8.677   5.277
  152   1HG2  THR  24          1HG2      THR  24  -5.673  -5.939   6.588
  153   2HG2  THR  24          2HG2      THR  24  -3.961  -5.999   7.005
  154   3HG2  THR  24          3HG2      THR  24  -5.007  -7.365   7.383
  155    H    MET  25           H        MET  25  -4.229  -3.741   5.056
  156    HA   MET  25           HA       MET  25  -1.585  -3.659   6.313
  157   1HB   MET  25          2HB       MET  25  -1.114  -1.462   5.394
  158   1HG   MET  25          2HG       MET  25  -3.617  -1.728   3.741
  159   1HE   MET  25          1HE       MET  25  -3.346   2.039   2.378
  160   2HE   MET  25          2HE       MET  25  -4.376   0.610   2.373
  161   3HE   MET  25          3HE       MET  25  -4.091   1.489   3.876
  162    H    LYS  26           H        LYS  26  -1.461  -2.151   8.070
  163    HA   LYS  26           HA       LYS  26  -4.140  -1.428   9.060
  164   1HB   LYS  26          2HB       LYS  26  -1.631  -1.947  10.697
  165   1HG   LYS  26          2HG       LYS  26  -3.285  -3.710  11.716
  166   1HD   LYS  26          2HD       LYS  26  -2.360  -5.449  10.267
  167   1HE   LYS  26          2HE       LYS  26  -0.419  -3.240  10.923
  168   1HZ   LYS  26          1HZ       LYS  26   0.098  -6.117  10.399
  169   2HZ   LYS  26          2HZ       LYS  26   1.236  -5.003  10.966
  170   3HZ   LYS  26          3HZ       LYS  26   0.579  -4.824   9.414
  171    H    LYS  27           H        LYS  27  -4.435   0.609   9.998
  172    HA   LYS  27           HA       LYS  27  -3.036   2.721   8.877
  173   1HB   LYS  27          2HB       LYS  27  -4.196   4.197  10.418
  174   1HG   LYS  27          2HG       LYS  27  -3.915   2.709  12.413
  175   1HD   LYS  27          2HD       LYS  27  -6.508   1.482  11.570
  176   1HE   LYS  27          2HE       LYS  27  -4.308   0.573  13.417
  177   1HZ   LYS  27          1HZ       LYS  27  -5.664  -1.207  13.987
  178   2HZ   LYS  27          2HZ       LYS  27  -5.802  -1.157  12.295
  179   3HZ   LYS  27          3HZ       LYS  27  -7.044  -0.533  13.270
  180    H    GLY  28           H        GLY  28  -1.421   4.052   9.593
  181   1HA   GLY  28          1HA       GLY  28   0.284   4.787  11.028
  182   2HA   GLY  28          2HA       GLY  28  -0.129   3.487  12.143
  183    H    ASP  29           H        ASP  29   0.024   2.113   9.168
  184    HA   ASP  29           HA       ASP  29   2.725   1.132   9.639
  185   1HB   ASP  29          2HB       ASP  29   0.523   0.230   7.780
  186    H    ILE  30           H        ILE  30   4.335   1.202   8.043
  187    HA   ILE  30           HA       ILE  30   3.942   3.325   6.064
  188    HB   ILE  30           HB       ILE  30   6.443   2.200   7.330
  189   1HG1  ILE  30          2HG1      ILE  30   6.903   4.573   7.846
  190   1HG2  ILE  30          1HG2      ILE  30   6.874   2.330   4.938
  191   2HG2  ILE  30          2HG2      ILE  30   6.322   4.006   4.919
  192   3HG2  ILE  30          3HG2      ILE  30   7.782   3.567   5.808
  193   1HD1  ILE  30          1HD1      ILE  30   4.132   3.833   8.752
  194   2HD1  ILE  30          2HD1      ILE  30   5.640   3.345   9.533
  195   3HD1  ILE  30          3HD1      ILE  30   5.190   5.049   9.475
  196    H    LEU  31           H        LEU  31   3.463   2.688   4.114
  197    HA   LEU  31           HA       LEU  31   4.116  -0.044   3.285
  198   1HB   LEU  31          2HB       LEU  31   2.029   1.943   2.515
  199    HG   LEU  31           HG       LEU  31   0.474   0.144   2.609
  200   1HD1  LEU  31          1HD1      LEU  31   1.096  -2.160   2.965
  201   2HD1  LEU  31          2HD1      LEU  31   1.825  -1.535   1.486
  202   3HD1  LEU  31          3HD1      LEU  31   2.803  -1.720   2.945
  203   1HD2  LEU  31          1HD2      LEU  31   1.081   1.041   4.782
  204   2HD2  LEU  31          2HD2      LEU  31   0.720  -0.682   4.894
  205   3HD2  LEU  31          3HD2      LEU  31   2.394  -0.129   4.909
  206    H    THR  32           H        THR  32   4.999  -0.434   1.196
  207    HA   THR  32           HA       THR  32   6.569   1.809   0.140
  208    HB   THR  32           HB       THR  32   6.910  -1.154  -0.376
  209    HG1  THR  32           1HG      THR  32   7.646   0.415   1.726
  210   1HG2  THR  32          1HG2      THR  32   7.822   0.185  -2.167
  211   2HG2  THR  32          2HG2      THR  32   9.150  -0.447  -1.188
  212   3HG2  THR  32          3HG2      THR  32   8.644   1.235  -1.009
  213    H    LEU  33           H        LEU  33   6.096   2.613  -1.842
  214    HA   LEU  33           HA       LEU  33   3.808   1.535  -3.223
  215   1HB   LEU  33          2HB       LEU  33   5.429   3.991  -3.381
  216    HG   LEU  33           HG       LEU  33   3.210   4.007  -2.318
  217   1HD1  LEU  33          1HD1      LEU  33   2.332   5.950  -3.538
  218   2HD1  LEU  33          2HD1      LEU  33   4.076   6.044  -3.286
  219   3HD1  LEU  33          3HD1      LEU  33   3.433   5.595  -4.868
  220   1HD2  LEU  33          1HD2      LEU  33   2.226   3.328  -5.088
  221   2HD2  LEU  33          2HD2      LEU  33   2.112   2.304  -3.656
  222   3HD2  LEU  33          3HD2      LEU  33   1.207   3.817  -3.733
  223    H    LEU  34           H        LEU  34   3.733   0.461  -5.061
  224    HA   LEU  34           HA       LEU  34   6.278  -0.190  -6.392
  225   1HB   LEU  34          2HB       LEU  34   3.791  -1.890  -6.289
  226    HG   LEU  34           HG       LEU  34   4.757  -1.875  -4.037
  227   1HD1  LEU  34          1HD1      LEU  34   4.398  -4.139  -5.768
  228   2HD1  LEU  34          2HD1      LEU  34   5.636  -4.497  -4.542
  229   3HD1  LEU  34          3HD1      LEU  34   4.028  -3.961  -4.044
  230   1HD2  LEU  34          1HD2      LEU  34   7.284  -2.682  -5.474
  231   2HD2  LEU  34          2HD2      LEU  34   7.030  -1.264  -4.454
  232   3HD2  LEU  34          3HD2      LEU  34   7.034  -2.877  -3.738
  233    H    ASN  35           H        ASN  35   2.768   0.060  -6.857
  234    HA   ASN  35           HA       ASN  35   3.237   1.225  -9.510
  235   1HB   ASN  35          2HB       ASN  35   2.544  -1.226  -9.663
  236   1HD2  ASN  35          1HD2      ASN  35   1.507  -1.902 -11.559
  237   2HD2  ASN  35          2HD2      ASN  35   0.925  -0.765 -12.721
  238    H    SER  36           H        SER  36   2.448   3.234  -9.377
  239    HA   SER  36           HA       SER  36  -0.068   3.618  -7.910
  240   1HB   SER  36          2HB       SER  36   0.797   5.879  -7.290
  241    HG   SER  36           HG       SER  36   2.424   6.337  -8.640
  242    H    THR  37           H        THR  37   0.422   3.117 -10.768
  243    HA   THR  37           HA       THR  37   0.140   5.619 -12.143
  244    HB   THR  37           HB       THR  37   1.127   3.499 -13.130
  245    HG1  THR  37           1HG      THR  37   0.678   5.183 -14.518
  246   1HG2  THR  37          1HG2      THR  37  -0.456   1.952 -14.223
  247   2HG2  THR  37          2HG2      THR  37  -1.794   2.777 -13.424
  248   3HG2  THR  37          3HG2      THR  37  -0.595   1.911 -12.465
  249    H    ASN  38           H        ASN  38  -1.948   3.876 -10.267
  250    HA   ASN  38           HA       ASN  38  -4.355   4.492 -11.823
  251   1HB   ASN  38          2HB       ASN  38  -3.822   2.248 -10.585
  252   1HD2  ASN  38          1HD2      ASN  38  -5.519   0.782 -10.363
  253   2HD2  ASN  38          2HD2      ASN  38  -7.145   1.218 -10.797
  254    H    LYS  39           H        LYS  39  -6.193   5.411 -10.582
  255    HA   LYS  39           HA       LYS  39  -5.220   7.390  -8.636
  256   1HB   LYS  39          2HB       LYS  39  -6.954   8.861  -9.257
  257   1HG   LYS  39          2HG       LYS  39  -8.748   7.074  -9.558
  258   1HD   LYS  39          2HD       LYS  39  -7.647   7.123 -12.366
  259   1HE   LYS  39          2HE       LYS  39 -10.144   5.872 -11.225
  260   1HZ   LYS  39          1HZ       LYS  39  -9.152   5.817 -14.022
  261   2HZ   LYS  39          2HZ       LYS  39 -10.581   5.119 -13.436
  262   3HZ   LYS  39          3HZ       LYS  39  -9.077   4.507 -12.948
  263    H    ASP  40           H        ASP  40  -7.069   4.570  -8.880
  264    HA   ASP  40           HA       ASP  40  -8.521   5.224  -6.410
  265   1HB   ASP  40          2HB       ASP  40  -9.025   2.987  -8.386
  266    H    TRP  41           H        TRP  41  -6.269   2.992  -7.881
  267    HA   TRP  41           HA       TRP  41  -5.966   1.618  -5.297
  268   1HB   TRP  41          2HB       TRP  41  -6.068   0.356  -8.045
  269    HD1  TRP  41           HD       TRP  41  -8.650   0.811  -8.377
  270    HE1  TRP  41           1HE      TRP  41 -10.742  -0.180  -7.234
  271    HE3  TRP  41           3HE      TRP  41  -6.421  -1.272  -4.274
  272    HZ2  TRP  41           2HZ      TRP  41 -11.348  -1.639  -4.891
  273    HZ3  TRP  41           3HZ      TRP  41  -7.823  -2.441  -2.630
  274    HH2  TRP  41           HH       TRP  41 -10.237  -2.616  -2.931
  275    H    TRP  42           H        TRP  42  -3.933   1.444  -4.599
  276    HA   TRP  42           HA       TRP  42  -1.773   1.786  -6.574
  277   1HB   TRP  42          2HB       TRP  42  -2.025   2.862  -3.770
  278    HD1  TRP  42           HD       TRP  42  -2.717   3.638  -7.192
  279    HE1  TRP  42           1HE      TRP  42  -2.541   6.144  -7.703
  280    HE3  TRP  42           3HE      TRP  42  -0.139   5.134  -3.046
  281    HZ2  TRP  42           2HZ      TRP  42  -1.441   8.444  -6.518
  282    HZ3  TRP  42           3HZ      TRP  42   0.458   7.515  -2.828
  283    HH2  TRP  42           HH       TRP  42  -0.188   9.132  -4.527
  284    H    LYS  43           H        LYS  43  -0.553   0.024  -6.798
  285    HA   LYS  43           HA       LYS  43  -0.793  -2.142  -4.913
  286   1HB   LYS  43          2HB       LYS  43  -0.531  -2.691  -7.285
  287   1HG   LYS  43          2HG       LYS  43   1.975  -3.498  -5.811
  288   1HD   LYS  43          2HD       LYS  43   1.904  -5.504  -7.078
  289   1HE   LYS  43          2HE       LYS  43   2.230  -4.780  -9.315
  290   1HZ   LYS  43          1HZ       LYS  43   3.678  -2.858  -9.006
  291   2HZ   LYS  43          2HZ       LYS  43   3.961  -4.089  -7.874
  292   3HZ   LYS  43          3HZ       LYS  43   3.107  -2.698  -7.419
  293    H    VAL  44           H        VAL  44   0.349  -2.391  -3.177
  294    HA   VAL  44           HA       VAL  44   2.904  -0.954  -2.960
  295    HB   VAL  44           HB       VAL  44   2.434  -0.735  -0.519
  296   1HG1  VAL  44          1HG1      VAL  44   2.088   1.167  -1.967
  297   2HG1  VAL  44          2HG1      VAL  44   0.476   0.589  -2.393
  298   3HG1  VAL  44          3HG1      VAL  44   0.815   1.120  -0.746
  299   1HG2  VAL  44          1HG2      VAL  44   0.146  -1.007   0.284
  300   2HG2  VAL  44          2HG2      VAL  44  -0.351  -1.599  -1.301
  301   3HG2  VAL  44          3HG2      VAL  44   0.786  -2.532  -0.326
  302    H    GLU  45           H        GLU  45   4.162  -1.815  -1.068
  303    HA   GLU  45           HA       GLU  45   4.175  -4.761  -1.137
  304   1HB   GLU  45          2HB       GLU  45   5.927  -3.576  -2.496
  305   1HG   GLU  45          2HG       GLU  45   7.200  -4.993  -0.176
  306    H    VAL  46           H        VAL  46   3.659  -5.477   0.862
  307    HA   VAL  46           HA       VAL  46   4.778  -4.030   3.185
  308    HB   VAL  46           HB       VAL  46   2.932  -5.915   4.152
  309   1HG1  VAL  46          1HG1      VAL  46   3.545  -3.762   5.157
  310   2HG1  VAL  46          2HG1      VAL  46   2.580  -2.937   3.929
  311   3HG1  VAL  46          3HG1      VAL  46   1.801  -4.019   5.087
  312   1HG2  VAL  46          1HG2      VAL  46   0.817  -5.165   3.127
  313   2HG2  VAL  46          2HG2      VAL  46   1.759  -4.323   1.892
  314   3HG2  VAL  46          3HG2      VAL  46   1.858  -6.080   2.031
  315    H    ASN  47           H        ASN  47   6.451  -4.990   3.986
  316    HA   ASN  47           HA       ASN  47   7.931  -6.444   4.765
  317   1HB   ASN  47          2HB       ASN  47   7.231  -8.486   5.814
  318   1HD2  ASN  47          1HD2      ASN  47   3.964  -7.498   5.730
  319   2HD2  ASN  47          2HD2      ASN  47   3.334  -8.937   5.015
  320    H    ASP  48           H        ASP  48   5.864  -8.277   2.619
  321    HA   ASP  48           HA       ASP  48   8.027  -8.770   0.770
  322   1HB   ASP  48          2HB       ASP  48   8.508 -10.531   2.389
  323    H    ARG  49           H        ARG  49   4.803  -8.422   1.521
  324    HA   ARG  49           HA       ARG  49   3.807 -10.085  -0.663
  325   1HB   ARG  49          2HB       ARG  49   2.336  -8.570   1.497
  326   1HG   ARG  49          2HG       ARG  49   3.496 -10.554   2.377
  327   1HD   ARG  49          2HD       ARG  49   2.479 -12.783   1.671
  328    HE   ARG  49           HE       ARG  49   4.791 -12.109   0.994
  329   1HH1  ARG  49          2HH1      ARG  49   2.222 -12.400  -1.380
  330   2HH1  ARG  49          1HH1      ARG  49   3.306 -12.780  -2.693
  331   1HH2  ARG  49          2HH2      ARG  49   6.212 -12.622  -0.730
  332   2HH2  ARG  49          1HH2      ARG  49   5.560 -12.925  -2.315
  333    H    GLN  50           H        GLN  50   3.518  -9.229  -2.582
  334    HA   GLN  50           HA       GLN  50   3.168  -6.365  -2.933
  335   1HB   GLN  50          2HB       GLN  50   3.468  -8.676  -4.848
  336   1HG   GLN  50          2HG       GLN  50   5.325  -7.278  -5.717
  337   1HE2  GLN  50          1HE2      GLN  50   7.242  -6.658  -3.553
  338   2HE2  GLN  50          2HE2      GLN  50   7.584  -8.167  -2.813
  339    H    GLY  51           H        GLY  51   1.177  -5.498  -2.823
  340   1HA   GLY  51          1HA       GLY  51  -1.022  -6.797  -4.184
  341   2HA   GLY  51          2HA       GLY  51  -1.193  -6.733  -2.437
  342    H    PHE  52           H        PHE  52  -2.987  -5.519  -4.140
  343    HA   PHE  52           HA       PHE  52  -2.293  -2.704  -4.313
  344   1HB   PHE  52          2HB       PHE  52  -4.695  -4.300  -5.194
  345    HD1  PHE  52           1HD      PHE  52  -3.426  -1.480  -7.037
  346    HD2  PHE  52           2HD      PHE  52  -3.111  -5.690  -6.499
  347    HE1  PHE  52           1HE      PHE  52  -2.274  -1.668  -9.208
  348    HE2  PHE  52           2HE      PHE  52  -1.952  -5.882  -8.656
  349    HZ   PHE  52           HZ       PHE  52  -1.539  -3.873 -10.022
  350    H    VAL  53           H        VAL  53  -3.176  -1.089  -3.163
  351    HA   VAL  53           HA       VAL  53  -5.336  -1.704  -1.271
  352    HB   VAL  53           HB       VAL  53  -4.337  -0.255   0.421
  353   1HG1  VAL  53          1HG1      VAL  53  -2.445  -1.659   1.100
  354   2HG1  VAL  53          2HG1      VAL  53  -3.811  -2.622   0.541
  355   3HG1  VAL  53          3HG1      VAL  53  -2.416  -2.379  -0.508
  356   1HG2  VAL  53          1HG2      VAL  53  -1.988   0.516   0.173
  357   2HG2  VAL  53          2HG2      VAL  53  -2.043   0.010  -1.518
  358   3HG2  VAL  53          3HG2      VAL  53  -3.113   1.292  -0.945
  359    HA   PRO  54           HA       PRO  54  -7.370   1.933  -2.838
  360   1HB   PRO  54          2HB       PRO  54  -7.596   2.812   0.001
  361   1HG   PRO  54          2HG       PRO  54  -8.613   0.850   0.728
  362   1HD   PRO  54          2HD       PRO  54  -6.403   0.198   0.555
  363    H    ALA  55           H        ALA  55  -6.360   3.624  -3.727
  364    HA   ALA  55           HA       ALA  55  -3.964   4.760  -2.760
  365   1HB   ALA  55          1HB       ALA  55  -5.975   5.821  -4.739
  366   2HB   ALA  55          2HB       ALA  55  -4.380   6.519  -4.459
  367   3HB   ALA  55          3HB       ALA  55  -4.524   4.881  -5.097
  368    H    ALA  56           H        ALA  56  -7.308   5.426  -2.134
  369    HA   ALA  56           HA       ALA  56  -6.904   8.015  -0.961
  370   1HB   ALA  56          1HB       ALA  56  -9.285   6.174  -0.755
  371   2HB   ALA  56          2HB       ALA  56  -9.242   7.884  -0.328
  372   3HB   ALA  56          3HB       ALA  56  -9.036   7.391  -2.008
  373    H    TYR  57           H        TYR  57  -6.060   5.011   0.047
  374    HA   TYR  57           HA       TYR  57  -6.559   5.599   2.893
  375   1HB   TYR  57          2HB       TYR  57  -6.133   3.031   1.392
  376    HD1  TYR  57           1HD      TYR  57  -7.439   1.945   4.226
  377    HD2  TYR  57           2HD      TYR  57  -8.570   4.566   1.070
  378    HE1  TYR  57           1HE      TYR  57  -9.802   1.522   4.734
  379    HE2  TYR  57           2HE      TYR  57 -10.938   4.160   1.576
  380    HH   TYR  57           HH       TYR  57 -11.987   2.693   4.426
  381    H    VAL  58           H        VAL  58  -4.316   6.245   0.746
  382    HA   VAL  58           HA       VAL  58  -2.089   5.786   2.587
  383    HB   VAL  58           HB       VAL  58  -2.509   4.384   0.153
  384   1HG1  VAL  58          1HG1      VAL  58  -1.433   6.192  -1.042
  385   2HG1  VAL  58          2HG1      VAL  58  -0.059   6.128   0.064
  386   3HG1  VAL  58          3HG1      VAL  58  -0.391   4.769  -1.010
  387   1HG2  VAL  58          1HG2      VAL  58  -1.614   3.396   2.144
  388   2HG2  VAL  58          2HG2      VAL  58  -0.460   3.210   0.824
  389   3HG2  VAL  58          3HG2      VAL  58  -0.192   4.437   2.063
  390    H    LYS  59           H        LYS  59  -0.514   7.376   2.546
  391    HA   LYS  59           HA       LYS  59  -0.851   9.550   0.599
  392   1HB   LYS  59          2HB       LYS  59  -1.898  10.242   2.734
  393   1HG   LYS  59          2HG       LYS  59   0.674  11.661   2.085
  394   1HD   LYS  59          2HD       LYS  59  -0.346  13.580   3.307
  395   1HE   LYS  59          2HE       LYS  59   0.221  11.138   4.986
  396   1HZ   LYS  59          1HZ       LYS  59   0.482  14.023   5.658
  397   2HZ   LYS  59          2HZ       LYS  59   0.912  12.723   6.654
  398   3HZ   LYS  59          3HZ       LYS  59  -0.719  12.980   6.254
  399    H    LYS  60           H        LYS  60   1.005  10.406  -0.179
  400    HA   LYS  60           HA       LYS  60   3.430   9.031  -0.004
  401   1HB   LYS  60          2HB       LYS  60   2.998  11.936  -0.739
  402   1HG   LYS  60          2HG       LYS  60   1.657  10.300  -2.080
  403   1HD   LYS  60          2HD       LYS  60   3.889   8.750  -2.009
  404   1HE   LYS  60          2HE       LYS  60   4.667   8.612  -4.371
  405   1HZ   LYS  60          1HZ       LYS  60   5.219  11.324  -3.311
  406   2HZ   LYS  60          2HZ       LYS  60   6.236  10.324  -4.232
  407   3HZ   LYS  60          3HZ       LYS  60   5.896   9.929  -2.629
  408    H    LEU  61           H        LEU  61   4.987   8.981   1.496
  409    HA   LEU  61           HA       LEU  61   4.995  10.870   3.679
  410   1HB   LEU  61          2HB       LEU  61   6.942   8.680   2.929
  411    HG   LEU  61           HG       LEU  61   4.738   7.826   3.747
  412   1HD1  LEU  61          1HD1      LEU  61   5.707   6.312   5.393
  413   2HD1  LEU  61          2HD1      LEU  61   6.811   6.562   4.040
  414   3HD1  LEU  61          3HD1      LEU  61   7.096   7.385   5.574
  415   1HD2  LEU  61          1HD2      LEU  61   5.521   9.406   6.190
  416   2HD2  LEU  61          2HD2      LEU  61   4.030   9.525   5.255
  417   3HD2  LEU  61          3HD2      LEU  61   4.351   8.089   6.224
  418    H    ASP  62           H        ASP  62   6.860  10.195   0.799
  419    HA   ASP  62           HA       ASP  62   8.215  12.784   1.125
  420   1HB   ASP  62          2HB       ASP  62   9.235  10.252  -0.185
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  20.018  -7.825  -0.481
    2   2H    MET   1          2H        MET   1  20.151  -6.267   0.173
    3   3H    MET   1          3H        MET   1  19.097  -6.555  -1.122
    4    HA   MET   1           HA       MET   1  17.715  -7.944   0.242
    5   1HB   MET   1          2HB       MET   1  19.729  -7.259   2.395
    6   1HG   MET   1          2HG       MET   1  18.827  -9.949   1.391
    7   1HE   MET   1          1HE       MET   1  19.218 -10.484   5.270
    8   2HE   MET   1          2HE       MET   1  18.540  -9.055   4.488
    9   3HE   MET   1          3HE       MET   1  18.152 -10.661   3.875
   10    H    ASP   2           H        ASP   2  18.500  -4.993  -0.430
   11    HA   ASP   2           HA       ASP   2  17.071  -3.577   1.677
   12   1HB   ASP   2          2HB       ASP   2  18.077  -2.348  -0.921
   13    H    GLU   3           H        GLU   3  14.986  -4.388   1.556
   14    HA   GLU   3           HA       GLU   3  13.512  -3.528  -0.835
   15   1HB   GLU   3          2HB       GLU   3  13.118  -6.012   0.844
   16   1HG   GLU   3          2HG       GLU   3  13.428  -5.591  -2.125
   17    H    THR   4           H        THR   4  11.022  -3.624  -0.031
   18    HA   THR   4           HA       THR   4   9.571  -2.026   0.680
   19    HB   THR   4           HB       THR   4   9.599  -3.749   2.549
   20    HG1  THR   4           1HG      THR   4   8.396  -1.404   2.355
   21   1HG2  THR   4          1HG2      THR   4  10.400  -3.011   4.745
   22   2HG2  THR   4          2HG2      THR   4  11.114  -1.579   4.003
   23   3HG2  THR   4          3HG2      THR   4  11.731  -3.182   3.599
   24    H    GLY   5           H        GLY   5  12.232  -1.075  -0.038
   25   1HA   GLY   5          1HA       GLY   5  12.249   1.436   1.513
   26   2HA   GLY   5          2HA       GLY   5  13.733   0.645   0.997
   27    H    LYS   6           H        LYS   6  10.656   1.539  -0.511
   28    HA   LYS   6           HA       LYS   6  12.165   2.865  -2.671
   29   1HB   LYS   6          2HB       LYS   6   9.458   1.507  -2.933
   30   1HG   LYS   6          2HG       LYS   6  11.903   0.453  -4.318
   31   1HD   LYS   6          2HD       LYS   6   9.206  -0.684  -3.606
   32   1HE   LYS   6          2HE       LYS   6   9.914  -2.599  -5.027
   33   1HZ   LYS   6          1HZ       LYS   6  10.008  -2.782  -2.590
   34   2HZ   LYS   6          2HZ       LYS   6  11.622  -2.251  -2.624
   35   3HZ   LYS   6          3HZ       LYS   6  11.196  -3.718  -3.359
   36    H    GLU   7           H        GLU   7   9.813   4.042  -3.820
   37    HA   GLU   7           HA       GLU   7   9.286   6.271  -2.249
   38   1HB   GLU   7          2HB       GLU   7   7.472   4.953  -4.289
   39   1HG   GLU   7          2HG       GLU   7   8.083   6.994  -5.633
   40    H    LEU   8           H        LEU   8   8.373   6.407  -0.296
   41    HA   LEU   8           HA       LEU   8   6.797   4.104   0.577
   42   1HB   LEU   8          2HB       LEU   8   8.229   6.247   2.122
   43    HG   LEU   8           HG       LEU   8   9.687   4.473   1.226
   44   1HD1  LEU   8          1HD1      LEU   8  10.748   3.855   3.329
   45   2HD1  LEU   8          2HD1      LEU   8  10.235   5.540   3.363
   46   3HD1  LEU   8          3HD1      LEU   8   9.293   4.314   4.211
   47   1HD2  LEU   8          1HD2      LEU   8   9.457   2.181   2.129
   48   2HD2  LEU   8          2HD2      LEU   8   7.894   2.642   2.802
   49   3HD2  LEU   8          3HD2      LEU   8   8.140   2.647   1.055
   50    H    VAL   9           H        VAL   9   4.996   4.343   1.868
   51    HA   VAL   9           HA       VAL   9   3.545   6.891   1.700
   52    HB   VAL   9           HB       VAL   9   1.431   5.475   1.294
   53   1HG1  VAL   9          1HG1      VAL   9   1.728   5.617  -1.152
   54   2HG1  VAL   9          2HG1      VAL   9   2.201   7.082  -0.294
   55   3HG1  VAL   9          3HG1      VAL   9   3.437   5.977  -0.891
   56   1HG2  VAL   9          1HG2      VAL   9   2.465   3.285   1.550
   57   2HG2  VAL   9          2HG2      VAL   9   1.754   3.469  -0.053
   58   3HG2  VAL   9          3HG2      VAL   9   3.501   3.601   0.159
   59    H    LEU  10           H        LEU  10   1.776   7.017   3.189
   60    HA   LEU  10           HA       LEU  10   2.231   5.384   5.590
   61   1HB   LEU  10          2HB       LEU  10   2.572   7.798   5.866
   62    HG   LEU  10           HG       LEU  10   0.179   6.657   7.268
   63   1HD1  LEU  10          1HD1      LEU  10   2.325   5.753   7.891
   64   2HD1  LEU  10          2HD1      LEU  10   2.964   7.376   8.157
   65   3HD1  LEU  10          3HD1      LEU  10   1.690   6.747   9.200
   66   1HD2  LEU  10          1HD2      LEU  10   1.363   9.399   7.670
   67   2HD2  LEU  10          2HD2      LEU  10  -0.263   9.023   7.090
   68   3HD2  LEU  10          3HD2      LEU  10   0.200   8.621   8.745
   69    H    ALA  11           H        ALA  11   0.601   4.132   6.371
   70    HA   ALA  11           HA       ALA  11  -1.844   3.967   4.840
   71   1HB   ALA  11          1HB       ALA  11  -2.316   1.999   6.035
   72   2HB   ALA  11          2HB       ALA  11  -0.567   1.986   5.824
   73   3HB   ALA  11          3HB       ALA  11  -1.268   2.457   7.379
   74    H    LEU  12           H        LEU  12  -3.439   5.370   5.227
   75    HA   LEU  12           HA       LEU  12  -3.682   6.755   7.716
   76   1HB   LEU  12          2HB       LEU  12  -5.286   6.706   5.183
   77    HG   LEU  12           HG       LEU  12  -3.756   8.883   6.586
   78   1HD1  LEU  12          1HD1      LEU  12  -2.489   8.975   4.488
   79   2HD1  LEU  12          2HD1      LEU  12  -2.337   7.430   5.324
   80   3HD1  LEU  12          3HD1      LEU  12  -3.390   7.569   3.914
   81   1HD2  LEU  12          1HD2      LEU  12  -5.820   9.825   5.730
   82   2HD2  LEU  12          2HD2      LEU  12  -4.470  10.331   4.707
   83   3HD2  LEU  12          3HD2      LEU  12  -5.552   9.046   4.168
   84    H    TYR  13           H        TYR  13  -5.342   4.011   6.239
   85    HA   TYR  13           HA       TYR  13  -6.986   3.824   8.680
   86   1HB   TYR  13          2HB       TYR  13  -8.005   2.996   5.967
   87    HD1  TYR  13           1HD      TYR  13  -9.199   5.565   8.327
   88    HD2  TYR  13           2HD      TYR  13  -7.710   4.767   4.427
   89    HE1  TYR  13           1HE      TYR  13  -9.749   7.864   7.656
   90    HE2  TYR  13           2HE      TYR  13  -8.244   7.072   3.745
   91    HH   TYR  13           HH       TYR  13  -9.027   9.500   5.988
   92    H    ASP  14           H        ASP  14  -7.975   1.582   8.882
   93    HA   ASP  14           HA       ASP  14  -5.922  -0.417   8.354
   94   1HB   ASP  14          2HB       ASP  14  -8.499  -0.630   9.937
   95    H    TYR  15           H        TYR  15  -6.054  -1.336   6.411
   96    HA   TYR  15           HA       TYR  15  -8.720  -1.920   5.319
   97   1HB   TYR  15          2HB       TYR  15  -7.587  -0.321   3.906
   98    HD1  TYR  15           1HD      TYR  15  -5.810  -2.791   2.098
   99    HD2  TYR  15           2HD      TYR  15  -9.743  -1.444   2.982
  100    HE1  TYR  15           1HE      TYR  15  -6.650  -3.964   0.105
  101    HE2  TYR  15           2HE      TYR  15 -10.597  -2.609   0.997
  102    HH   TYR  15           HH       TYR  15  -8.702  -4.853  -0.778
  103    H    GLN  16           H        GLN  16  -9.111  -3.973   4.519
  104    HA   GLN  16           HA       GLN  16  -6.900  -5.882   4.811
  105   1HB   GLN  16          2HB       GLN  16  -8.522  -6.146   6.658
  106   1HG   GLN  16          2HG       GLN  16  -8.990  -8.517   4.923
  107   1HE2  GLN  16          1HE2      GLN  16  -8.260  -7.004   7.965
  108   2HE2  GLN  16          2HE2      GLN  16  -8.635  -8.365   8.968
  109    H    GLU  17           H        GLU  17  -6.645  -7.355   3.267
  110    HA   GLU  17           HA       GLU  17  -7.443  -6.717   0.681
  111   1HB   GLU  17          2HB       GLU  17  -6.430  -8.897   0.078
  112   1HG   GLU  17          2HG       GLU  17  -6.531  -9.315   3.035
  113    H    LYS  18           H        LYS  18  -9.072  -7.318  -0.607
  114    HA   LYS  18           HA       LYS  18 -11.214  -8.924   0.586
  115   1HB   LYS  18          2HB       LYS  18 -11.258  -7.131  -1.855
  116   1HG   LYS  18          2HG       LYS  18 -12.512  -6.581   0.834
  117   1HD   LYS  18          2HD       LYS  18 -13.672  -5.562  -1.055
  118   1HE   LYS  18          2HE       LYS  18 -10.979  -4.379  -1.720
  119   1HZ   LYS  18          1HZ       LYS  18 -13.665  -3.870  -2.869
  120   2HZ   LYS  18          2HZ       LYS  18 -12.220  -3.455  -3.643
  121   3HZ   LYS  18          3HZ       LYS  18 -12.617  -2.741  -2.155
  122    H    SER  19           H        SER  19  -9.259  -8.551  -2.315
  123    HA   SER  19           HA       SER  19  -9.901 -11.320  -3.078
  124   1HB   SER  19          2HB       SER  19  -8.766  -9.282  -4.978
  125    HG   SER  19           HG       SER  19 -10.536  -8.201  -4.261
  126    HA   PRO  20           HA       PRO  20  -5.617 -12.463  -2.653
  127   1HB   PRO  20          2HB       PRO  20  -5.669 -13.217  -5.541
  128   1HG   PRO  20          2HG       PRO  20  -7.478 -14.681  -5.261
  129   1HD   PRO  20          2HD       PRO  20  -8.373 -12.536  -5.411
  130    H    ALA  21           H        ALA  21  -6.574 -10.187  -5.060
  131    HA   ALA  21           HA       ALA  21  -3.897  -9.545  -5.932
  132   1HB   ALA  21          1HB       ALA  21  -4.932  -7.785  -7.233
  133   2HB   ALA  21          2HB       ALA  21  -5.830  -9.293  -7.435
  134   3HB   ALA  21          3HB       ALA  21  -6.460  -8.025  -6.382
  135    H    GLU  22           H        GLU  22  -6.043  -8.523  -3.421
  136    HA   GLU  22           HA       GLU  22  -4.552  -6.061  -2.960
  137   1HB   GLU  22          2HB       GLU  22  -6.984  -7.202  -1.557
  138   1HG   GLU  22          2HG       GLU  22  -7.879  -4.893  -2.431
  139    H    VAL  23           H        VAL  23  -3.725  -5.563  -0.792
  140    HA   VAL  23           HA       VAL  23  -3.071  -7.945   0.812
  141    HB   VAL  23           HB       VAL  23  -0.999  -6.657   1.561
  142   1HG1  VAL  23          1HG1      VAL  23  -1.124  -7.625  -1.286
  143   2HG1  VAL  23          2HG1      VAL  23   0.345  -7.402  -0.333
  144   3HG1  VAL  23          3HG1      VAL  23  -0.842  -8.614   0.148
  145   1HG2  VAL  23          1HG2      VAL  23  -1.610  -5.094  -0.937
  146   2HG2  VAL  23          2HG2      VAL  23  -1.581  -4.473   0.712
  147   3HG2  VAL  23          3HG2      VAL  23  -0.092  -5.036  -0.043
  148    H    THR  24           H        THR  24  -2.737  -7.512   3.096
  149    HA   THR  24           HA       THR  24  -4.661  -5.545   4.054
  150    HB   THR  24           HB       THR  24  -3.189  -7.736   5.535
  151    HG1  THR  24           1HG      THR  24  -4.635  -8.607   4.032
  152   1HG2  THR  24          1HG2      THR  24  -3.882  -6.003   7.082
  153   2HG2  THR  24          2HG2      THR  24  -4.947  -7.397   7.262
  154   3HG2  THR  24          3HG2      THR  24  -5.498  -5.977   6.378
  155    H    MET  25           H        MET  25  -4.167  -3.740   5.131
  156    HA   MET  25           HA       MET  25  -1.470  -3.433   6.259
  157   1HB   MET  25          2HB       MET  25  -1.273  -1.171   5.450
  158   1HG   MET  25          2HG       MET  25  -3.889  -1.504   3.992
  159   1HE   MET  25          1HE       MET  25  -0.916  -0.704   2.793
  160   2HE   MET  25          2HE       MET  25  -2.337  -0.784   1.751
  161   3HE   MET  25          3HE       MET  25  -1.329   0.663   1.759
  162    H    LYS  26           H        LYS  26  -1.401  -1.703   7.933
  163    HA   LYS  26           HA       LYS  26  -4.065  -1.218   9.090
  164   1HB   LYS  26          2HB       LYS  26  -1.552  -1.890  10.642
  165   1HG   LYS  26          2HG       LYS  26  -3.160  -3.716  11.562
  166   1HD   LYS  26          2HD       LYS  26  -2.492  -5.251   9.613
  167   1HE   LYS  26          2HE       LYS  26  -1.179  -5.092  11.677
  168   1HZ   LYS  26          1HZ       LYS  26   0.831  -3.670  11.642
  169   2HZ   LYS  26          2HZ       LYS  26  -0.614  -2.802  11.794
  170   3HZ   LYS  26          3HZ       LYS  26   0.193  -2.846  10.298
  171    H    LYS  27           H        LYS  27  -4.308   0.701  10.278
  172    HA   LYS  27           HA       LYS  27  -2.979   2.967   9.311
  173   1HB   LYS  27          2HB       LYS  27  -5.058   3.430  10.253
  174   1HG   LYS  27          2HG       LYS  27  -4.864   4.699  12.335
  175   1HD   LYS  27          2HD       LYS  27  -2.508   5.196  10.519
  176   1HE   LYS  27          2HE       LYS  27  -4.079   7.107  12.244
  177   1HZ   LYS  27          1HZ       LYS  27  -2.325   8.648  11.692
  178   2HZ   LYS  27          2HZ       LYS  27  -3.054   8.085  10.267
  179   3HZ   LYS  27          3HZ       LYS  27  -1.545   7.476  10.748
  180    H    GLY  28           H        GLY  28  -1.051   3.775   9.716
  181   1HA   GLY  28          1HA       GLY  28   0.663   4.515  11.252
  182   2HA   GLY  28          2HA       GLY  28   0.248   3.155  12.294
  183    H    ASP  29           H        ASP  29   0.274   2.059   9.156
  184    HA   ASP  29           HA       ASP  29   2.956   0.958   9.499
  185   1HB   ASP  29          2HB       ASP  29   0.665   0.172   7.691
  186    H    ILE  30           H        ILE  30   4.526   1.121   7.931
  187    HA   ILE  30           HA       ILE  30   4.122   3.267   5.983
  188    HB   ILE  30           HB       ILE  30   6.613   2.123   7.239
  189   1HG1  ILE  30          2HG1      ILE  30   7.085   4.493   7.753
  190   1HG2  ILE  30          1HG2      ILE  30   6.495   3.917   4.822
  191   2HG2  ILE  30          2HG2      ILE  30   7.955   3.512   5.725
  192   3HG2  ILE  30          3HG2      ILE  30   7.075   2.251   4.861
  193   1HD1  ILE  30          1HD1      ILE  30   4.319   3.740   8.655
  194   2HD1  ILE  30          2HD1      ILE  30   5.830   3.272   9.439
  195   3HD1  ILE  30          3HD1      ILE  30   5.361   4.971   9.374
  196    H    LEU  31           H        LEU  31   3.520   2.606   4.086
  197    HA   LEU  31           HA       LEU  31   4.194  -0.090   3.179
  198   1HB   LEU  31          2HB       LEU  31   2.076   1.903   2.512
  199    HG   LEU  31           HG       LEU  31   0.524   0.134   2.660
  200   1HD1  LEU  31          1HD1      LEU  31   1.747  -1.519   1.372
  201   2HD1  LEU  31          2HD1      LEU  31   2.826  -1.793   2.742
  202   3HD1  LEU  31          3HD1      LEU  31   1.116  -2.201   2.870
  203   1HD2  LEU  31          1HD2      LEU  31   1.284   0.906   4.829
  204   2HD2  LEU  31          2HD2      LEU  31   0.895  -0.812   4.880
  205   3HD2  LEU  31          3HD2      LEU  31   2.577  -0.292   4.818
  206    H    THR  32           H        THR  32   4.878  -0.404   0.971
  207    HA   THR  32           HA       THR  32   6.557   1.804   0.007
  208    HB   THR  32           HB       THR  32   6.911  -1.174  -0.388
  209    HG1  THR  32           1HG      THR  32   7.641   0.556   1.627
  210   1HG2  THR  32          1HG2      THR  32   8.684   1.171  -1.049
  211   2HG2  THR  32          2HG2      THR  32   7.883   0.093  -2.199
  212   3HG2  THR  32          3HG2      THR  32   9.168  -0.521  -1.155
  213    H    LEU  33           H        LEU  33   6.112   2.606  -1.983
  214    HA   LEU  33           HA       LEU  33   3.887   1.526  -3.435
  215   1HB   LEU  33          2HB       LEU  33   5.645   3.901  -3.722
  216    HG   LEU  33           HG       LEU  33   3.524   4.040  -2.434
  217   1HD1  LEU  33          1HD1      LEU  33   3.607   5.670  -4.972
  218   2HD1  LEU  33          2HD1      LEU  33   2.806   6.115  -3.465
  219   3HD1  LEU  33          3HD1      LEU  33   4.566   5.993  -3.527
  220   1HD2  LEU  33          1HD2      LEU  33   2.201   2.465  -3.747
  221   2HD2  LEU  33          2HD2      LEU  33   1.411   4.041  -3.687
  222   3HD2  LEU  33          3HD2      LEU  33   2.277   3.543  -5.141
  223    H    LEU  34           H        LEU  34   3.851   0.292  -5.145
  224    HA   LEU  34           HA       LEU  34   6.382  -0.333  -6.518
  225   1HB   LEU  34          2HB       LEU  34   3.877  -2.016  -6.420
  226    HG   LEU  34           HG       LEU  34   4.804  -1.951  -4.153
  227   1HD1  LEU  34          1HD1      LEU  34   5.082  -4.327  -3.857
  228   2HD1  LEU  34          2HD1      LEU  34   3.822  -4.013  -5.052
  229   3HD1  LEU  34          3HD1      LEU  34   5.426  -4.530  -5.577
  230   1HD2  LEU  34          1HD2      LEU  34   7.068  -1.341  -4.513
  231   2HD2  LEU  34          2HD2      LEU  34   7.078  -2.956  -3.807
  232   3HD2  LEU  34          3HD2      LEU  34   7.351  -2.753  -5.537
  233    H    ASN  35           H        ASN  35   2.882  -0.024  -6.962
  234    HA   ASN  35           HA       ASN  35   3.363   1.291  -9.533
  235   1HB   ASN  35          2HB       ASN  35   2.779  -1.101  -9.946
  236   1HD2  ASN  35          1HD2      ASN  35   1.860  -1.626 -11.879
  237   2HD2  ASN  35          2HD2      ASN  35   1.034  -0.477 -12.876
  238    H    SER  36           H        SER  36   2.593   3.269  -9.231
  239    HA   SER  36           HA       SER  36  -0.008   3.557  -7.886
  240   1HB   SER  36          2HB       SER  36   0.866   5.795  -7.092
  241    HG   SER  36           HG       SER  36   2.644   6.117  -8.357
  242    H    THR  37           H        THR  37   0.642   3.293 -10.750
  243    HA   THR  37           HA       THR  37   0.353   5.922 -11.886
  244    HB   THR  37           HB       THR  37   1.521   3.995 -13.032
  245    HG1  THR  37           1HG      THR  37  -0.597   5.176 -14.542
  246   1HG2  THR  37          1HG2      THR  37  -0.138   2.251 -12.601
  247   2HG2  THR  37          2HG2      THR  37   0.139   2.444 -14.333
  248   3HG2  THR  37          3HG2      THR  37  -1.313   3.115 -13.590
  249    H    ASN  38           H        ASN  38  -1.719   3.991 -10.265
  250    HA   ASN  38           HA       ASN  38  -4.105   4.692 -11.812
  251   1HB   ASN  38          2HB       ASN  38  -3.627   2.392 -10.679
  252   1HD2  ASN  38          1HD2      ASN  38  -5.364   0.960 -10.524
  253   2HD2  ASN  38          2HD2      ASN  38  -6.988   1.450 -10.891
  254    H    LYS  39           H        LYS  39  -5.948   5.570 -10.527
  255    HA   LYS  39           HA       LYS  39  -4.929   7.566  -8.621
  256   1HB   LYS  39          2HB       LYS  39  -6.771   8.985  -9.187
  257   1HG   LYS  39          2HG       LYS  39  -8.194   8.292 -11.245
  258   1HD   LYS  39          2HD       LYS  39  -8.824   7.288  -8.470
  259   1HE   LYS  39          2HE       LYS  39 -10.642   7.975 -10.775
  260   1HZ   LYS  39          1HZ       LYS  39 -11.258   7.141  -7.989
  261   2HZ   LYS  39          2HZ       LYS  39 -12.393   7.206  -9.247
  262   3HZ   LYS  39          3HZ       LYS  39 -11.643   8.626  -8.706
  263    H    ASP  40           H        ASP  40  -6.723   4.719  -8.737
  264    HA   ASP  40           HA       ASP  40  -8.078   5.431  -6.219
  265   1HB   ASP  40          2HB       ASP  40  -9.642   5.200  -8.148
  266    H    TRP  41           H        TRP  41  -6.138   3.079  -7.907
  267    HA   TRP  41           HA       TRP  41  -5.988   1.520  -5.427
  268   1HB   TRP  41          2HB       TRP  41  -6.245   0.415  -8.229
  269    HD1  TRP  41           HD       TRP  41  -8.783   1.181  -8.410
  270    HE1  TRP  41           1HE      TRP  41 -10.924   0.358  -7.236
  271    HE3  TRP  41           3HE      TRP  41  -6.653  -1.467  -4.592
  272    HZ2  TRP  41           2HZ      TRP  41 -11.613  -1.201  -4.982
  273    HZ3  TRP  41           3HZ      TRP  41  -8.120  -2.587  -2.972
  274    HH2  TRP  41           HH       TRP  41 -10.548  -2.456  -3.160
  275    H    TRP  42           H        TRP  42  -3.977   1.368  -4.703
  276    HA   TRP  42           HA       TRP  42  -1.781   1.670  -6.646
  277   1HB   TRP  42          2HB       TRP  42  -2.019   2.587  -3.784
  278    HD1  TRP  42           HD       TRP  42  -2.628   3.569  -7.206
  279    HE1  TRP  42           1HE      TRP  42  -2.492   6.115  -7.521
  280    HE3  TRP  42           3HE      TRP  42  -0.346   4.780  -2.823
  281    HZ2  TRP  42           2HZ      TRP  42  -1.552   8.350  -6.067
  282    HZ3  TRP  42           3HZ      TRP  42   0.130   7.137  -2.350
  283    HH2  TRP  42           HH       TRP  42  -0.454   8.889  -3.936
  284    H    LYS  43           H        LYS  43  -0.346   0.078  -6.803
  285    HA   LYS  43           HA       LYS  43  -0.661  -2.249  -5.083
  286   1HB   LYS  43          2HB       LYS  43  -0.425  -2.569  -7.527
  287   1HG   LYS  43          2HG       LYS  43   2.014  -3.633  -6.104
  288   1HD   LYS  43          2HD       LYS  43   2.079  -5.322  -7.713
  289   1HE   LYS  43          2HE       LYS  43   1.073  -2.918  -9.220
  290   1HZ   LYS  43          1HZ       LYS  43   2.502  -5.326 -10.216
  291   2HZ   LYS  43          2HZ       LYS  43   2.227  -3.917 -11.118
  292   3HZ   LYS  43          3HZ       LYS  43   0.917  -4.866 -10.614
  293    H    VAL  44           H        VAL  44   0.482  -2.495  -3.316
  294    HA   VAL  44           HA       VAL  44   3.038  -1.057  -3.077
  295    HB   VAL  44           HB       VAL  44   2.480  -0.675  -0.664
  296   1HG1  VAL  44          1HG1      VAL  44   2.303   1.154  -2.236
  297   2HG1  VAL  44          2HG1      VAL  44   0.692   0.619  -2.723
  298   3HG1  VAL  44          3HG1      VAL  44   0.962   1.235  -1.094
  299   1HG2  VAL  44          1HG2      VAL  44  -0.272  -1.523  -1.563
  300   2HG2  VAL  44          2HG2      VAL  44   0.753  -2.344  -0.384
  301   3HG2  VAL  44          3HG2      VAL  44   0.097  -0.746  -0.023
  302    H    GLU  45           H        GLU  45   4.345  -1.813  -1.268
  303    HA   GLU  45           HA       GLU  45   4.255  -4.739  -0.993
  304   1HB   GLU  45          2HB       GLU  45   6.132  -3.961  -2.350
  305   1HG   GLU  45          2HG       GLU  45   7.188  -4.602   0.393
  306    H    VAL  46           H        VAL  46   3.682  -5.322   1.025
  307    HA   VAL  46           HA       VAL  46   4.807  -3.778   3.277
  308    HB   VAL  46           HB       VAL  46   3.137  -5.784   4.308
  309   1HG1  VAL  46          1HG1      VAL  46   2.017  -3.988   5.349
  310   2HG1  VAL  46          2HG1      VAL  46   3.717  -3.535   5.192
  311   3HG1  VAL  46          3HG1      VAL  46   2.515  -2.860   4.086
  312   1HG2  VAL  46          1HG2      VAL  46   0.962  -5.229   3.327
  313   2HG2  VAL  46          2HG2      VAL  46   1.780  -4.257   2.104
  314   3HG2  VAL  46          3HG2      VAL  46   2.052  -5.997   2.173
  315    H    ASN  47           H        ASN  47   6.709  -4.600   3.634
  316    HA   ASN  47           HA       ASN  47   8.407  -5.917   4.188
  317   1HB   ASN  47          2HB       ASN  47   8.027  -7.755   5.712
  318   1HD2  ASN  47          1HD2      ASN  47   4.885  -6.577   6.316
  319   2HD2  ASN  47          2HD2      ASN  47   4.044  -8.069   6.072
  320    H    ASP  48           H        ASP  48   5.933  -8.138   3.046
  321    HA   ASP  48           HA       ASP  48   7.719  -9.097   0.931
  322   1HB   ASP  48          2HB       ASP  48   8.221 -10.583   2.823
  323    H    ARG  49           H        ARG  49   4.787  -8.112   1.949
  324    HA   ARG  49           HA       ARG  49   3.204  -9.855   0.201
  325   1HB   ARG  49          2HB       ARG  49   2.295  -7.855   2.284
  326   1HG   ARG  49          2HG       ARG  49   3.370  -9.845   3.312
  327   1HD   ARG  49          2HD       ARG  49   1.878 -11.926   3.247
  328    HE   ARG  49           HE       ARG  49   4.146 -11.605   1.989
  329   1HH1  ARG  49          2HH1      ARG  49   1.096 -12.651   0.619
  330   2HH1  ARG  49          1HH1      ARG  49   1.837 -13.711  -0.543
  331   1HH2  ARG  49          2HH2      ARG  49   5.129 -12.997   0.469
  332   2HH2  ARG  49          1HH2      ARG  49   4.130 -13.895  -0.641
  333    H    GLN  50           H        GLN  50   3.175  -9.088  -1.814
  334    HA   GLN  50           HA       GLN  50   2.998  -6.180  -2.203
  335   1HB   GLN  50          2HB       GLN  50   3.953  -8.395  -4.018
  336   1HG   GLN  50          2HG       GLN  50   5.382  -5.933  -3.035
  337   1HE2  GLN  50          1HE2      GLN  50   7.833  -7.349  -2.843
  338   2HE2  GLN  50          2HE2      GLN  50   8.364  -7.694  -4.449
  339    H    GLY  51           H        GLY  51   1.047  -5.425  -2.608
  340   1HA   GLY  51          1HA       GLY  51  -0.705  -6.735  -4.486
  341   2HA   GLY  51          2HA       GLY  51  -1.266  -6.833  -2.827
  342    H    PHE  52           H        PHE  52  -2.939  -5.617  -4.418
  343    HA   PHE  52           HA       PHE  52  -2.385  -2.771  -4.551
  344   1HB   PHE  52          2HB       PHE  52  -4.719  -4.457  -5.447
  345    HD1  PHE  52           1HD      PHE  52  -3.498  -1.534  -7.201
  346    HD2  PHE  52           2HD      PHE  52  -3.160  -5.757  -6.815
  347    HE1  PHE  52           1HE      PHE  52  -2.370  -1.638  -9.379
  348    HE2  PHE  52           2HE      PHE  52  -2.027  -5.866  -8.999
  349    HZ   PHE  52           HZ       PHE  52  -1.611  -3.785 -10.271
  350    H    VAL  53           H        VAL  53  -3.400  -1.202  -3.442
  351    HA   VAL  53           HA       VAL  53  -5.513  -1.915  -1.541
  352    HB   VAL  53           HB       VAL  53  -4.556  -0.466   0.179
  353   1HG1  VAL  53          1HG1      VAL  53  -4.014  -2.831   0.257
  354   2HG1  VAL  53          2HG1      VAL  53  -2.605  -2.551  -0.769
  355   3HG1  VAL  53          3HG1      VAL  53  -2.665  -1.863   0.856
  356   1HG2  VAL  53          1HG2      VAL  53  -3.341   1.104  -1.180
  357   2HG2  VAL  53          2HG2      VAL  53  -2.227   0.353  -0.036
  358   3HG2  VAL  53          3HG2      VAL  53  -2.239  -0.161  -1.725
  359    HA   PRO  54           HA       PRO  54  -7.561   1.782  -2.999
  360   1HB   PRO  54          2HB       PRO  54  -7.822   2.578  -0.145
  361   1HG   PRO  54          2HG       PRO  54  -8.806   0.591   0.544
  362   1HD   PRO  54          2HD       PRO  54  -6.592  -0.032   0.347
  363    H    ALA  55           H        ALA  55  -6.502   3.469  -3.827
  364    HA   ALA  55           HA       ALA  55  -4.132   4.555  -2.745
  365   1HB   ALA  55          1HB       ALA  55  -6.009   5.745  -4.776
  366   2HB   ALA  55          2HB       ALA  55  -4.368   6.300  -4.443
  367   3HB   ALA  55          3HB       ALA  55  -4.634   4.690  -5.115
  368    H    ALA  56           H        ALA  56  -7.467   5.178  -2.170
  369    HA   ALA  56           HA       ALA  56  -7.150   7.807  -1.048
  370   1HB   ALA  56          1HB       ALA  56  -9.487   7.628  -0.465
  371   2HB   ALA  56          2HB       ALA  56  -9.247   7.043  -2.112
  372   3HB   ALA  56          3HB       ALA  56  -9.471   5.893  -0.791
  373    H    TYR  57           H        TYR  57  -6.138   4.903   0.035
  374    HA   TYR  57           HA       TYR  57  -6.799   5.453   2.860
  375   1HB   TYR  57          2HB       TYR  57  -6.227   2.920   1.359
  376    HD1  TYR  57           1HD      TYR  57  -7.483   1.879   4.302
  377    HD2  TYR  57           2HD      TYR  57  -8.700   4.230   0.965
  378    HE1  TYR  57           1HE      TYR  57  -9.825   1.352   4.795
  379    HE2  TYR  57           2HE      TYR  57 -11.046   3.720   1.457
  380    HH   TYR  57           HH       TYR  57 -12.372   2.066   2.587
  381    H    VAL  58           H        VAL  58  -4.484   6.161   0.788
  382    HA   VAL  58           HA       VAL  58  -2.310   5.731   2.687
  383    HB   VAL  58           HB       VAL  58  -2.697   4.357   0.204
  384   1HG1  VAL  58          1HG1      VAL  58  -0.137   5.924   0.376
  385   2HG1  VAL  58          2HG1      VAL  58  -0.469   4.623  -0.767
  386   3HG1  VAL  58          3HG1      VAL  58  -1.404   6.117  -0.834
  387   1HG2  VAL  58          1HG2      VAL  58  -0.512   4.197   2.264
  388   2HG2  VAL  58          2HG2      VAL  58  -2.027   3.290   2.265
  389   3HG2  VAL  58          3HG2      VAL  58  -0.830   3.003   1.002
  390    H    LYS  59           H        LYS  59  -0.756   7.333   2.694
  391    HA   LYS  59           HA       LYS  59  -1.164   9.541   0.784
  392   1HB   LYS  59          2HB       LYS  59  -1.954  10.087   3.092
  393   1HG   LYS  59          2HG       LYS  59   0.433  11.639   2.115
  394   1HD   LYS  59          2HD       LYS  59  -0.446  13.469   3.554
  395   1HE   LYS  59          2HE       LYS  59   0.451  10.990   5.013
  396   1HZ   LYS  59          1HZ       LYS  59  -0.280  12.710   6.524
  397   2HZ   LYS  59          2HZ       LYS  59   0.699  13.858   5.741
  398   3HZ   LYS  59          3HZ       LYS  59   1.413  12.565   6.575
  399    H    LYS  60           H        LYS  60   0.623  10.437  -0.121
  400    HA   LYS  60           HA       LYS  60   2.959   8.908  -0.350
  401   1HB   LYS  60          2HB       LYS  60   2.517  11.812  -1.036
  402   1HG   LYS  60          2HG       LYS  60   0.980  10.073  -2.096
  403   1HD   LYS  60          2HD       LYS  60   3.378   8.793  -2.601
  404   1HE   LYS  60          2HE       LYS  60   3.564   8.741  -5.038
  405   1HZ   LYS  60          1HZ       LYS  60   4.894  10.385  -3.743
  406   2HZ   LYS  60          2HZ       LYS  60   3.729  11.562  -4.131
  407   3HZ   LYS  60          3HZ       LYS  60   4.626  10.815  -5.358
  408    H    LEU  61           H        LEU  61   4.646   8.717   0.965
  409    HA   LEU  61           HA       LEU  61   5.406  10.972   2.663
  410   1HB   LEU  61          2HB       LEU  61   6.642   8.232   2.389
  411    HG   LEU  61           HG       LEU  61   4.413   8.117   3.481
  412   1HD1  LEU  61          1HD1      LEU  61   6.777   7.623   5.288
  413   2HD1  LEU  61          2HD1      LEU  61   5.183   6.892   5.446
  414   3HD1  LEU  61          3HD1      LEU  61   6.182   6.530   4.040
  415   1HD2  LEU  61          1HD2      LEU  61   4.201  10.252   4.503
  416   2HD2  LEU  61          2HD2      LEU  61   4.285   9.072   5.806
  417   3HD2  LEU  61          3HD2      LEU  61   5.701  10.045   5.406
  418    H    ASP  62           H        ASP  62   6.268   9.372  -0.292
  419    HA   ASP  62           HA       ASP  62   8.507  11.243  -0.641
  420   1HB   ASP  62          2HB       ASP  62   8.134   8.473  -1.805
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  18.909  -7.728   1.859
    2   2H    MET   1          2H        MET   1  18.031  -7.850   0.410
    3   3H    MET   1          3H        MET   1  19.319  -8.906   0.713
    4    HA   MET   1           HA       MET   1  17.197  -9.995   1.037
    5   1HB   MET   1          2HB       MET   1  18.700  -9.533   3.624
    6   1HG   MET   1          2HG       MET   1  19.841 -11.680   3.058
    7   1HE   MET   1          1HE       MET   1  22.275 -11.885   1.965
    8   2HE   MET   1          2HE       MET   1  21.602 -11.663   0.351
    9   3HE   MET   1          3HE       MET   1  22.962 -10.674   0.883
   10    H    ASP   2           H        ASP   2  16.875  -6.938   1.420
   11    HA   ASP   2           HA       ASP   2  14.478  -7.114   3.066
   12   1HB   ASP   2          2HB       ASP   2  15.030  -5.159   4.387
   13    H    GLU   3           H        GLU   3  12.934  -5.499   2.575
   14    HA   GLU   3           HA       GLU   3  13.528  -4.003   0.104
   15   1HB   GLU   3          2HB       GLU   3  11.086  -5.584   0.873
   16   1HG   GLU   3          2HG       GLU   3  12.691  -6.770  -0.498
   17    H    THR   4           H        THR   4  10.845  -2.828   0.168
   18    HA   THR   4           HA       THR   4   9.918  -0.854   0.797
   19    HB   THR   4           HB       THR   4  11.078  -1.382   3.544
   20    HG1  THR   4           1HG      THR   4   8.506  -2.233   2.769
   21   1HG2  THR   4          1HG2      THR   4  10.011   0.817   3.232
   22   2HG2  THR   4          2HG2      THR   4   9.114  -0.204   4.358
   23   3HG2  THR   4          3HG2      THR   4   8.533   0.007   2.705
   24    H    GLY   5           H        GLY   5  12.610  -0.968  -0.291
   25   1HA   GLY   5          1HA       GLY   5  13.936   1.293   1.039
   26   2HA   GLY   5          2HA       GLY   5  14.690   0.193  -0.100
   27    H    LYS   6           H        LYS   6  11.617   1.225  -1.087
   28    HA   LYS   6           HA       LYS   6  12.770   3.437  -2.621
   29   1HB   LYS   6          2HB       LYS   6  11.460   2.826  -4.603
   30   1HG   LYS   6          2HG       LYS   6   9.746   1.363  -3.354
   31   1HD   LYS   6          2HD       LYS   6  12.023  -0.558  -3.755
   32   1HE   LYS   6          2HE       LYS   6   9.072  -1.136  -3.587
   33   1HZ   LYS   6          1HZ       LYS   6   9.992  -2.717  -2.145
   34   2HZ   LYS   6          2HZ       LYS   6  11.371  -2.937  -3.103
   35   3HZ   LYS   6          3HZ       LYS   6   9.874  -3.521  -3.633
   36    H    GLU   7           H        GLU   7  10.319   4.062  -3.961
   37    HA   GLU   7           HA       GLU   7   9.255   6.046  -2.517
   38   1HB   GLU   7          2HB       GLU   7   7.663   4.186  -4.291
   39   1HG   GLU   7          2HG       GLU   7   7.834   6.106  -5.906
   40    H    LEU   8           H        LEU   8   8.105   6.363  -0.712
   41    HA   LEU   8           HA       LEU   8   6.814   4.013   0.495
   42   1HB   LEU   8          2HB       LEU   8   8.222   6.298   1.862
   43    HG   LEU   8           HG       LEU   8   9.737   4.578   0.958
   44   1HD1  LEU   8          1HD1      LEU   8   9.511   4.533   3.967
   45   2HD1  LEU   8          2HD1      LEU   8  10.944   4.120   3.026
   46   3HD1  LEU   8          3HD1      LEU   8  10.331   5.772   3.015
   47   1HD2  LEU   8          1HD2      LEU   8   9.689   2.319   1.949
   48   2HD2  LEU   8          2HD2      LEU   8   8.151   2.723   2.710
   49   3HD2  LEU   8          3HD2      LEU   8   8.279   2.673   0.951
   50    H    VAL   9           H        VAL   9   5.051   4.300   1.767
   51    HA   VAL   9           HA       VAL   9   3.638   6.868   1.685
   52    HB   VAL   9           HB       VAL   9   1.478   5.520   1.283
   53   1HG1  VAL   9          1HG1      VAL   9   1.695   5.757  -1.148
   54   2HG1  VAL   9          2HG1      VAL   9   2.284   7.168  -0.267
   55   3HG1  VAL   9          3HG1      VAL   9   3.430   6.013  -0.951
   56   1HG2  VAL   9          1HG2      VAL   9   3.485   3.636   0.056
   57   2HG2  VAL   9          2HG2      VAL   9   2.448   3.301   1.443
   58   3HG2  VAL   9          3HG2      VAL   9   1.734   3.555  -0.148
   59    H    LEU  10           H        LEU  10   1.897   6.981   3.221
   60    HA   LEU  10           HA       LEU  10   2.357   5.251   5.559
   61   1HB   LEU  10          2HB       LEU  10   2.734   7.616   5.974
   62    HG   LEU  10           HG       LEU  10   0.213   6.562   7.221
   63   1HD1  LEU  10          1HD1      LEU  10   1.612   6.425   9.219
   64   2HD1  LEU  10          2HD1      LEU  10   2.280   5.484   7.884
   65   3HD1  LEU  10          3HD1      LEU  10   2.984   7.048   8.299
   66   1HD2  LEU  10          1HD2      LEU  10   0.303   8.452   8.785
   67   2HD2  LEU  10          2HD2      LEU  10   1.571   9.188   7.804
   68   3HD2  LEU  10          3HD2      LEU  10  -0.047   8.960   7.132
   69    H    ALA  11           H        ALA  11   0.688   4.074   6.419
   70    HA   ALA  11           HA       ALA  11  -1.759   3.943   4.881
   71   1HB   ALA  11          1HB       ALA  11  -0.482   1.951   5.910
   72   2HB   ALA  11          2HB       ALA  11  -1.268   2.419   7.423
   73   3HB   ALA  11          3HB       ALA  11  -2.243   1.966   6.022
   74    H    LEU  12           H        LEU  12  -3.290   5.422   5.266
   75    HA   LEU  12           HA       LEU  12  -3.512   6.815   7.746
   76   1HB   LEU  12          2HB       LEU  12  -5.172   6.758   5.244
   77    HG   LEU  12           HG       LEU  12  -3.567   8.948   6.556
   78   1HD1  LEU  12          1HD1      LEU  12  -3.204   7.450   3.984
   79   2HD1  LEU  12          2HD1      LEU  12  -2.338   8.931   4.403
   80   3HD1  LEU  12          3HD1      LEU  12  -2.128   7.480   5.383
   81   1HD2  LEU  12          1HD2      LEU  12  -5.336   9.037   4.117
   82   2HD2  LEU  12          2HD2      LEU  12  -5.620   9.867   5.647
   83   3HD2  LEU  12          3HD2      LEU  12  -4.250  10.328   4.633
   84    H    TYR  13           H        TYR  13  -5.153   4.061   6.315
   85    HA   TYR  13           HA       TYR  13  -6.714   3.811   8.790
   86   1HB   TYR  13          2HB       TYR  13  -7.961   3.075   6.159
   87    HD1  TYR  13           1HD      TYR  13  -8.764   5.831   8.476
   88    HD2  TYR  13           2HD      TYR  13  -7.668   4.752   4.516
   89    HE1  TYR  13           1HE      TYR  13  -9.195   8.134   7.740
   90    HE2  TYR  13           2HE      TYR  13  -8.086   7.058   3.765
   91    HH   TYR  13           HH       TYR  13  -8.561   9.644   5.965
   92    H    ASP  14           H        ASP  14  -7.717   1.577   8.912
   93    HA   ASP  14           HA       ASP  14  -5.782  -0.428   8.124
   94   1HB   ASP  14          2HB       ASP  14  -8.169  -0.388   9.945
   95    H    TYR  15           H        TYR  15  -6.160  -2.009   6.648
   96    HA   TYR  15           HA       TYR  15  -8.753  -2.082   5.316
   97   1HB   TYR  15          2HB       TYR  15  -7.502  -0.443   4.007
   98    HD1  TYR  15           1HD      TYR  15  -6.066  -2.859   1.884
   99    HD2  TYR  15           2HD      TYR  15  -9.833  -1.365   3.194
  100    HE1  TYR  15           1HE      TYR  15  -7.138  -3.811  -0.115
  101    HE2  TYR  15           2HE      TYR  15 -10.905  -2.314   1.206
  102    HH   TYR  15           HH       TYR  15  -9.300  -4.507  -0.891
  103    H    GLN  16           H        GLN  16  -9.248  -4.056   4.463
  104    HA   GLN  16           HA       GLN  16  -7.196  -6.156   4.689
  105   1HB   GLN  16          2HB       GLN  16  -9.835  -5.940   5.841
  106   1HG   GLN  16          2HG       GLN  16  -7.792  -6.831   6.966
  107   1HE2  GLN  16          1HE2      GLN  16  -7.945  -9.642   7.609
  108   2HE2  GLN  16          2HE2      GLN  16  -7.074 -10.480   6.362
  109    H    GLU  17           H        GLU  17  -6.970  -7.496   2.974
  110    HA   GLU  17           HA       GLU  17  -7.690  -6.583   0.423
  111   1HB   GLU  17          2HB       GLU  17  -6.786  -8.730  -0.383
  112   1HG   GLU  17          2HG       GLU  17  -6.427  -9.484   2.503
  113    H    LYS  18           H        LYS  18  -9.234  -7.220  -1.055
  114    HA   LYS  18           HA       LYS  18 -11.510  -8.725   0.016
  115   1HB   LYS  18          2HB       LYS  18 -11.240  -7.179  -2.576
  116   1HG   LYS  18          2HG       LYS  18 -12.737  -6.412  -0.075
  117   1HD   LYS  18          2HD       LYS  18 -13.882  -5.779  -2.161
  118   1HE   LYS  18          2HE       LYS  18 -11.417  -4.157  -2.768
  119   1HZ   LYS  18          1HZ       LYS  18 -13.511  -3.239  -3.585
  120   2HZ   LYS  18          2HZ       LYS  18 -13.852  -4.698  -4.378
  121   3HZ   LYS  18          3HZ       LYS  18 -12.523  -3.764  -4.863
  122    H    SER  19           H        SER  19  -9.194  -8.662  -2.603
  123    HA   SER  19           HA       SER  19  -9.696 -11.522  -3.088
  124   1HB   SER  19          2HB       SER  19  -8.888  -9.493  -5.193
  125    HG   SER  19           HG       SER  19 -10.905  -8.897  -5.038
  126    HA   PRO  20           HA       PRO  20  -5.354 -12.212  -2.489
  127   1HB   PRO  20          2HB       PRO  20  -5.217 -13.490  -5.172
  128   1HG   PRO  20          2HG       PRO  20  -6.995 -14.952  -4.769
  129   1HD   PRO  20          2HD       PRO  20  -7.932 -12.890  -5.332
  130    H    ALA  21           H        ALA  21  -6.408 -10.250  -4.995
  131    HA   ALA  21           HA       ALA  21  -3.781  -9.563  -6.000
  132   1HB   ALA  21          1HB       ALA  21  -5.708  -9.502  -7.509
  133   2HB   ALA  21          2HB       ALA  21  -6.455  -8.261  -6.502
  134   3HB   ALA  21          3HB       ALA  21  -4.954  -7.913  -7.360
  135    H    GLU  22           H        GLU  22  -5.912  -8.599  -3.479
  136    HA   GLU  22           HA       GLU  22  -4.471  -6.077  -3.073
  137   1HB   GLU  22          2HB       GLU  22  -6.974  -7.157  -1.750
  138   1HG   GLU  22          2HG       GLU  22  -7.804  -4.862  -2.753
  139    H    VAL  23           H        VAL  23  -3.807  -5.568  -0.798
  140    HA   VAL  23           HA       VAL  23  -3.241  -7.979   0.787
  141    HB   VAL  23           HB       VAL  23  -1.153  -6.770   1.610
  142   1HG1  VAL  23          1HG1      VAL  23  -1.029  -8.706   0.157
  143   2HG1  VAL  23          2HG1      VAL  23  -1.237  -7.677  -1.262
  144   3HG1  VAL  23          3HG1      VAL  23   0.214  -7.528  -0.271
  145   1HG2  VAL  23          1HG2      VAL  23  -1.666  -4.554   0.766
  146   2HG2  VAL  23          2HG2      VAL  23  -0.155  -5.140   0.074
  147   3HG2  VAL  23          3HG2      VAL  23  -1.631  -5.157  -0.890
  148    H    THR  24           H        THR  24  -2.985  -7.607   3.062
  149    HA   THR  24           HA       THR  24  -4.875  -5.687   4.085
  150    HB   THR  24           HB       THR  24  -3.050  -7.461   5.692
  151    HG1  THR  24           1HG      THR  24  -5.628  -8.300   4.944
  152   1HG2  THR  24          1HG2      THR  24  -5.831  -6.442   6.240
  153   2HG2  THR  24          2HG2      THR  24  -4.349  -5.782   6.928
  154   3HG2  THR  24          3HG2      THR  24  -4.852  -7.426   7.325
  155    H    MET  25           H        MET  25  -4.399  -3.826   5.258
  156    HA   MET  25           HA       MET  25  -1.617  -3.375   6.059
  157   1HB   MET  25          2HB       MET  25  -1.618  -1.071   5.301
  158   1HG   MET  25          2HG       MET  25  -4.184  -1.540   3.819
  159   1HE   MET  25          1HE       MET  25  -1.692   1.105   2.028
  160   2HE   MET  25          2HE       MET  25  -1.171  -0.261   3.015
  161   3HE   MET  25          3HE       MET  25  -2.459  -0.471   1.830
  162    H    LYS  26           H        LYS  26  -1.421  -1.591   7.637
  163    HA   LYS  26           HA       LYS  26  -3.849  -1.309   9.278
  164   1HB   LYS  26          2HB       LYS  26  -1.227  -2.475  10.071
  165   1HG   LYS  26          2HG       LYS  26  -2.579  -3.605  11.778
  166   1HD   LYS  26          2HD       LYS  26  -3.668  -3.810   8.974
  167   1HE   LYS  26          2HE       LYS  26  -4.403  -6.043   9.611
  168   1HZ   LYS  26          1HZ       LYS  26  -6.119  -4.494   9.853
  169   2HZ   LYS  26          2HZ       LYS  26  -5.441  -3.804  11.242
  170   3HZ   LYS  26          3HZ       LYS  26  -6.131  -5.349  11.318
  171    H    LYS  27           H        LYS  27  -4.101   0.608  10.334
  172    HA   LYS  27           HA       LYS  27  -2.915   2.947   9.433
  173   1HB   LYS  27          2HB       LYS  27  -4.913   3.240  10.609
  174   1HG   LYS  27          2HG       LYS  27  -4.444   4.262  12.891
  175   1HD   LYS  27          2HD       LYS  27  -2.889   5.432  10.594
  176   1HE   LYS  27          2HE       LYS  27  -4.238   6.580  13.029
  177   1HZ   LYS  27          1HZ       LYS  27  -3.716   8.738  12.198
  178   2HZ   LYS  27          2HZ       LYS  27  -4.683   7.953  11.049
  179   3HZ   LYS  27          3HZ       LYS  27  -3.010   8.101  10.793
  180    H    GLY  28           H        GLY  28  -0.974   3.819   9.696
  181   1HA   GLY  28          1HA       GLY  28   0.819   4.613  11.037
  182   2HA   GLY  28          2HA       GLY  28   0.508   3.311  12.181
  183    H    ASP  29           H        ASP  29   0.350   1.908   9.230
  184    HA   ASP  29           HA       ASP  29   3.048   0.856   9.483
  185   1HB   ASP  29          2HB       ASP  29   0.618  -0.276   8.704
  186    H    ILE  30           H        ILE  30   4.603   1.002   7.887
  187    HA   ILE  30           HA       ILE  30   4.151   3.126   5.926
  188    HB   ILE  30           HB       ILE  30   6.685   1.977   7.093
  189   1HG1  ILE  30          2HG1      ILE  30   7.176   4.338   7.617
  190   1HG2  ILE  30          1HG2      ILE  30   7.067   2.116   4.706
  191   2HG2  ILE  30          2HG2      ILE  30   6.479   3.778   4.685
  192   3HG2  ILE  30          3HG2      ILE  30   7.970   3.381   5.539
  193   1HD1  ILE  30          1HD1      ILE  30   5.966   3.116   9.336
  194   2HD1  ILE  30          2HD1      ILE  30   5.498   4.815   9.292
  195   3HD1  ILE  30          3HD1      ILE  30   4.434   3.591   8.598
  196    H    LEU  31           H        LEU  31   3.671   2.559   3.969
  197    HA   LEU  31           HA       LEU  31   4.198  -0.185   3.084
  198   1HB   LEU  31          2HB       LEU  31   2.201   1.900   2.354
  199    HG   LEU  31           HG       LEU  31   0.547   0.204   2.476
  200   1HD1  LEU  31          1HD1      LEU  31   2.805  -1.759   2.714
  201   2HD1  LEU  31          2HD1      LEU  31   1.092  -2.146   2.868
  202   3HD1  LEU  31          3HD1      LEU  31   1.725  -1.556   1.333
  203   1HD2  LEU  31          1HD2      LEU  31   1.199   1.034   4.653
  204   2HD2  LEU  31          2HD2      LEU  31   0.793  -0.679   4.755
  205   3HD2  LEU  31          3HD2      LEU  31   2.482  -0.170   4.752
  206    H    THR  32           H        THR  32   5.316  -0.615   1.256
  207    HA   THR  32           HA       THR  32   6.833   1.519   0.020
  208    HB   THR  32           HB       THR  32   6.751  -1.307  -0.983
  209    HG1  THR  32           1HG      THR  32   8.129  -1.956   0.611
  210   1HG2  THR  32          1HG2      THR  32   8.874   0.824  -0.812
  211   2HG2  THR  32          2HG2      THR  32   8.039   0.263  -2.264
  212   3HG2  THR  32          3HG2      THR  32   9.145  -0.814  -1.412
  213    H    LEU  33           H        LEU  33   6.387   2.403  -1.986
  214    HA   LEU  33           HA       LEU  33   3.916   1.554  -3.273
  215   1HB   LEU  33          2HB       LEU  33   5.512   3.985  -3.224
  216    HG   LEU  33           HG       LEU  33   3.200   4.009  -2.470
  217   1HD1  LEU  33          1HD1      LEU  33   2.434   5.930  -3.774
  218   2HD1  LEU  33          2HD1      LEU  33   4.154   6.043  -3.393
  219   3HD1  LEU  33          3HD1      LEU  33   3.639   5.567  -5.011
  220   1HD2  LEU  33          1HD2      LEU  33   2.276   2.273  -3.901
  221   2HD2  LEU  33          2HD2      LEU  33   1.362   3.772  -4.080
  222   3HD2  LEU  33          3HD2      LEU  33   2.520   3.291  -5.322
  223    H    LEU  34           H        LEU  34   3.821   0.300  -4.976
  224    HA   LEU  34           HA       LEU  34   6.320  -0.312  -6.400
  225   1HB   LEU  34          2HB       LEU  34   3.791  -1.950  -6.334
  226    HG   LEU  34           HG       LEU  34   4.695  -1.860  -4.041
  227   1HD1  LEU  34          1HD1      LEU  34   5.233  -4.496  -5.395
  228   2HD1  LEU  34          2HD1      LEU  34   4.888  -4.234  -3.684
  229   3HD1  LEU  34          3HD1      LEU  34   3.646  -3.908  -4.894
  230   1HD2  LEU  34          1HD2      LEU  34   6.934  -2.935  -3.649
  231   2HD2  LEU  34          2HD2      LEU  34   7.233  -2.775  -5.378
  232   3HD2  LEU  34          3HD2      LEU  34   6.986  -1.335  -4.387
  233    H    ASN  35           H        ASN  35   2.853   0.306  -6.832
  234    HA   ASN  35           HA       ASN  35   3.432   1.536  -9.411
  235   1HB   ASN  35          2HB       ASN  35   2.831  -0.891  -9.811
  236   1HD2  ASN  35          1HD2      ASN  35   3.406  -0.220 -11.812
  237   2HD2  ASN  35          2HD2      ASN  35   2.282   0.468 -12.935
  238    H    SER  36           H        SER  36   2.497   3.474  -9.355
  239    HA   SER  36           HA       SER  36  -0.051   3.743  -7.917
  240   1HB   SER  36          2HB       SER  36   0.746   6.039  -7.255
  241    HG   SER  36           HG       SER  36   2.452   6.561  -8.453
  242    H    THR  37           H        THR  37   0.479   3.367 -10.808
  243    HA   THR  37           HA       THR  37  -0.043   5.974 -11.978
  244    HB   THR  37           HB       THR  37   1.334   4.206 -13.143
  245    HG1  THR  37           1HG      THR  37  -0.945   5.290 -14.476
  246   1HG2  THR  37          1HG2      THR  37  -0.094   2.275 -12.671
  247   2HG2  THR  37          2HG2      THR  37   0.148   2.484 -14.405
  248   3HG2  THR  37          3HG2      THR  37  -1.372   2.980 -13.663
  249    H    ASN  38           H        ASN  38  -1.859   3.779 -10.375
  250    HA   ASN  38           HA       ASN  38  -4.336   4.311 -11.859
  251   1HB   ASN  38          2HB       ASN  38  -3.702   1.964 -11.132
  252   1HD2  ASN  38          1HD2      ASN  38  -5.286   0.389 -10.873
  253   2HD2  ASN  38          2HD2      ASN  38  -6.968   0.795 -10.800
  254    H    LYS  39           H        LYS  39  -6.140   5.312 -10.690
  255    HA   LYS  39           HA       LYS  39  -5.102   7.166  -8.685
  256   1HB   LYS  39          2HB       LYS  39  -7.649   7.265 -10.257
  257   1HG   LYS  39          2HG       LYS  39  -5.103   8.830 -10.556
  258   1HD   LYS  39          2HD       LYS  39  -6.303  10.238 -12.140
  259   1HE   LYS  39          2HE       LYS  39  -7.666  10.181  -9.452
  260   1HZ   LYS  39          1HZ       LYS  39  -7.248  12.431 -11.342
  261   2HZ   LYS  39          2HZ       LYS  39  -7.954  12.541  -9.805
  262   3HZ   LYS  39          3HZ       LYS  39  -8.732  11.673 -11.037
  263    H    ASP  40           H        ASP  40  -7.233   4.480  -8.948
  264    HA   ASP  40           HA       ASP  40  -8.449   5.168  -6.366
  265   1HB   ASP  40          2HB       ASP  40  -9.206   3.085  -8.422
  266    H    TRP  41           H        TRP  41  -6.260   2.950  -7.881
  267    HA   TRP  41           HA       TRP  41  -5.980   1.519  -5.329
  268   1HB   TRP  41          2HB       TRP  41  -6.065   0.286  -8.089
  269    HD1  TRP  41           HD       TRP  41  -8.635   0.720  -8.479
  270    HE1  TRP  41           1HE      TRP  41 -10.762  -0.189  -7.344
  271    HE3  TRP  41           3HE      TRP  41  -6.505  -1.333  -4.304
  272    HZ2  TRP  41           2HZ      TRP  41 -11.437  -1.595  -4.990
  273    HZ3  TRP  41           3HZ      TRP  41  -7.964  -2.444  -2.662
  274    HH2  TRP  41           HH       TRP  41 -10.380  -2.568  -2.998
  275    H    TRP  42           H        TRP  42  -3.957   1.370  -4.614
  276    HA   TRP  42           HA       TRP  42  -1.787   1.823  -6.548
  277   1HB   TRP  42          2HB       TRP  42  -2.072   2.695  -3.682
  278    HD1  TRP  42           HD       TRP  42  -2.700   3.716  -7.051
  279    HE1  TRP  42           1HE      TRP  42  -2.467   6.248  -7.382
  280    HE3  TRP  42           3HE      TRP  42  -0.196   4.854  -2.770
  281    HZ2  TRP  42           2HZ      TRP  42  -1.367   8.445  -5.995
  282    HZ3  TRP  42           3HZ      TRP  42   0.416   7.193  -2.340
  283    HH2  TRP  42           HH       TRP  42  -0.158   8.954  -3.921
  284    H    LYS  43           H        LYS  43  -0.397   0.242  -6.815
  285    HA   LYS  43           HA       LYS  43  -0.631  -2.188  -5.271
  286   1HB   LYS  43          2HB       LYS  43  -0.223  -2.097  -7.769
  287   1HG   LYS  43          2HG       LYS  43   1.917  -3.545  -6.232
  288   1HD   LYS  43          2HD       LYS  43   0.841  -3.744  -9.037
  289   1HE   LYS  43          2HE       LYS  43   2.513  -5.917  -7.758
  290   1HZ   LYS  43          1HZ       LYS  43   1.291  -5.551 -10.429
  291   2HZ   LYS  43          2HZ       LYS  43   1.841  -7.049  -9.862
  292   3HZ   LYS  43          3HZ       LYS  43   2.933  -5.765 -10.049
  293    H    VAL  44           H        VAL  44   0.406  -2.452  -3.408
  294    HA   VAL  44           HA       VAL  44   2.912  -0.967  -3.005
  295    HB   VAL  44           HB       VAL  44   2.262  -0.579  -0.649
  296   1HG1  VAL  44          1HG1      VAL  44   0.651   1.225  -1.079
  297   2HG1  VAL  44          2HG1      VAL  44   1.942   1.196  -2.284
  298   3HG1  VAL  44          3HG1      VAL  44   0.345   0.559  -2.684
  299   1HG2  VAL  44          1HG2      VAL  44  -0.448  -1.570  -1.525
  300   2HG2  VAL  44          2HG2      VAL  44   0.652  -2.411  -0.432
  301   3HG2  VAL  44          3HG2      VAL  44  -0.054  -0.867   0.044
  302    H    GLU  45           H        GLU  45   4.068  -1.698  -1.058
  303    HA   GLU  45           HA       GLU  45   4.051  -4.630  -0.830
  304   1HB   GLU  45          2HB       GLU  45   5.943  -3.873  -2.158
  305   1HG   GLU  45          2HG       GLU  45   6.936  -4.408   0.630
  306    H    VAL  46           H        VAL  46   3.407  -5.180   1.150
  307    HA   VAL  46           HA       VAL  46   4.273  -3.545   3.453
  308    HB   VAL  46           HB       VAL  46   2.715  -5.762   4.307
  309   1HG1  VAL  46          1HG1      VAL  46   1.293  -4.051   5.257
  310   2HG1  VAL  46          2HG1      VAL  46   2.998  -3.643   5.467
  311   3HG1  VAL  46          3HG1      VAL  46   2.040  -2.832   4.225
  312   1HG2  VAL  46          1HG2      VAL  46   0.585  -5.338   3.209
  313   2HG2  VAL  46          2HG2      VAL  46   1.368  -4.180   2.132
  314   3HG2  VAL  46          3HG2      VAL  46   1.814  -5.885   2.068
  315    H    ASN  47           H        ASN  47   6.167  -4.197   4.114
  316    HA   ASN  47           HA       ASN  47   7.975  -5.361   4.680
  317   1HB   ASN  47          2HB       ASN  47   7.519  -7.549   5.929
  318   1HD2  ASN  47          1HD2      ASN  47   4.732  -5.704   6.796
  319   2HD2  ASN  47          2HD2      ASN  47   3.593  -6.989   6.589
  320    H    ASP  48           H        ASP  48   5.838  -7.864   3.475
  321    HA   ASP  48           HA       ASP  48   7.912  -8.651   1.532
  322   1HB   ASP  48          2HB       ASP  48   8.138 -10.173   3.443
  323    H    ARG  49           H        ARG  49   4.668  -7.989   2.196
  324    HA   ARG  49           HA       ARG  49   3.595  -9.785   0.158
  325   1HB   ARG  49          2HB       ARG  49   2.219  -7.946   2.124
  326   1HG   ARG  49          2HG       ARG  49   3.190  -9.935   3.200
  327   1HD   ARG  49          2HD       ARG  49   1.972 -12.121   2.673
  328    HE   ARG  49           HE       ARG  49   4.366 -11.660   2.005
  329   1HH1  ARG  49          2HH1      ARG  49   1.833 -12.097  -0.388
  330   2HH1  ARG  49          1HH1      ARG  49   2.911 -12.773  -1.575
  331   1HH2  ARG  49          2HH2      ARG  49   5.777 -12.510   0.433
  332   2HH2  ARG  49          1HH2      ARG  49   5.141 -13.006  -1.118
  333    H    GLN  50           H        GLN  50   3.072  -9.123  -1.818
  334    HA   GLN  50           HA       GLN  50   3.020  -6.225  -2.331
  335   1HB   GLN  50          2HB       GLN  50   3.675  -8.483  -4.236
  336   1HG   GLN  50          2HG       GLN  50   5.443  -6.343  -3.077
  337   1HE2  GLN  50          1HE2      GLN  50   4.915  -8.689  -5.566
  338   2HE2  GLN  50          2HE2      GLN  50   6.359  -8.359  -6.465
  339    H    GLY  51           H        GLY  51   1.061  -5.436  -2.675
  340   1HA   GLY  51          1HA       GLY  51  -0.804  -6.787  -4.400
  341   2HA   GLY  51          2HA       GLY  51  -1.289  -6.813  -2.710
  342    H    PHE  52           H        PHE  52  -2.984  -5.627  -4.323
  343    HA   PHE  52           HA       PHE  52  -2.409  -2.790  -4.534
  344   1HB   PHE  52          2HB       PHE  52  -4.737  -4.516  -5.350
  345    HD1  PHE  52           1HD      PHE  52  -3.489  -1.540  -7.059
  346    HD2  PHE  52           2HD      PHE  52  -3.359  -5.788  -6.848
  347    HE1  PHE  52           1HE      PHE  52  -2.411  -1.612  -9.271
  348    HE2  PHE  52           2HE      PHE  52  -2.285  -5.867  -9.060
  349    HZ   PHE  52           HZ       PHE  52  -1.834  -3.755 -10.283
  350    H    VAL  53           H        VAL  53  -3.340  -1.190  -3.380
  351    HA   VAL  53           HA       VAL  53  -5.466  -1.864  -1.479
  352    HB   VAL  53           HB       VAL  53  -4.501  -0.388   0.220
  353   1HG1  VAL  53          1HG1      VAL  53  -4.001  -2.758   0.358
  354   2HG1  VAL  53          2HG1      VAL  53  -2.591  -2.538  -0.681
  355   3HG1  VAL  53          3HG1      VAL  53  -2.628  -1.806   0.926
  356   1HG2  VAL  53          1HG2      VAL  53  -2.168   0.398  -0.004
  357   2HG2  VAL  53          2HG2      VAL  53  -2.166  -0.171  -1.676
  358   3HG2  VAL  53          3HG2      VAL  53  -3.259   1.126  -1.184
  359    HA   PRO  54           HA       PRO  54  -7.463   1.847  -2.956
  360   1HB   PRO  54          2HB       PRO  54  -7.799   2.643  -0.120
  361   1HG   PRO  54          2HG       PRO  54  -8.747   0.653   0.589
  362   1HD   PRO  54          2HD       PRO  54  -6.518   0.077   0.424
  363    H    ALA  55           H        ALA  55  -6.421   3.573  -3.723
  364    HA   ALA  55           HA       ALA  55  -4.058   4.656  -2.630
  365   1HB   ALA  55          1HB       ALA  55  -6.003   5.860  -4.593
  366   2HB   ALA  55          2HB       ALA  55  -4.374   6.457  -4.270
  367   3HB   ALA  55          3HB       ALA  55  -4.601   4.861  -4.986
  368    H    ALA  56           H        ALA  56  -7.423   5.313  -2.080
  369    HA   ALA  56           HA       ALA  56  -7.072   7.877  -0.861
  370   1HB   ALA  56          1HB       ALA  56  -9.406   5.990  -0.578
  371   2HB   ALA  56          2HB       ALA  56  -9.393   7.724  -0.258
  372   3HB   ALA  56          3HB       ALA  56  -9.194   7.130  -1.909
  373    H    TYR  57           H        TYR  57  -6.123   4.900   0.154
  374    HA   TYR  57           HA       TYR  57  -6.696   5.439   2.997
  375   1HB   TYR  57          2HB       TYR  57  -6.100   2.919   1.478
  376    HD1  TYR  57           1HD      TYR  57  -7.399   1.884   4.392
  377    HD2  TYR  57           2HD      TYR  57  -8.597   4.176   1.013
  378    HE1  TYR  57           1HE      TYR  57  -9.743   1.312   4.842
  379    HE2  TYR  57           2HE      TYR  57 -10.946   3.623   1.456
  380    HH   TYR  57           HH       TYR  57 -12.194   1.731   2.624
  381    H    VAL  58           H        VAL  58  -4.415   6.140   0.863
  382    HA   VAL  58           HA       VAL  58  -2.219   5.709   2.748
  383    HB   VAL  58           HB       VAL  58  -2.614   4.351   0.272
  384   1HG1  VAL  58          1HG1      VAL  58  -0.396   4.698  -0.745
  385   2HG1  VAL  58          2HG1      VAL  58  -1.450   6.108  -0.857
  386   3HG1  VAL  58          3HG1      VAL  58  -0.151   6.069   0.336
  387   1HG2  VAL  58          1HG2      VAL  58  -0.690   3.054   0.993
  388   2HG2  VAL  58          2HG2      VAL  58  -0.331   4.264   2.230
  389   3HG2  VAL  58          3HG2      VAL  58  -1.823   3.323   2.318
  390    H    LYS  59           H        LYS  59  -0.551   7.250   2.649
  391    HA   LYS  59           HA       LYS  59  -1.043   9.537   0.860
  392   1HB   LYS  59          2HB       LYS  59  -1.831   9.999   3.189
  393   1HG   LYS  59          2HG       LYS  59   0.517  11.624   2.247
  394   1HD   LYS  59          2HD       LYS  59  -0.446  13.394   3.755
  395   1HE   LYS  59          2HE       LYS  59   0.636  10.948   5.144
  396   1HZ   LYS  59          1HZ       LYS  59   0.633  13.827   5.865
  397   2HZ   LYS  59          2HZ       LYS  59   1.648  12.690   6.601
  398   3HZ   LYS  59          3HZ       LYS  59  -0.036  12.540   6.749
  399    H    LYS  60           H        LYS  60   0.720  10.458  -0.048
  400    HA   LYS  60           HA       LYS  60   3.140   9.065  -0.229
  401   1HB   LYS  60          2HB       LYS  60   2.383  11.899  -0.894
  402   1HG   LYS  60          2HG       LYS  60   1.603  10.061  -2.384
  403   1HD   LYS  60          2HD       LYS  60   4.453   9.454  -2.302
  404   1HE   LYS  60          2HE       LYS  60   4.421   8.638  -4.695
  405   1HZ   LYS  60          1HZ       LYS  60   5.579  10.718  -3.896
  406   2HZ   LYS  60          2HZ       LYS  60   4.276  11.588  -4.556
  407   3HZ   LYS  60          3HZ       LYS  60   5.243  10.623  -5.554
  408    H    LEU  61           H        LEU  61   4.687   8.819   1.246
  409    HA   LEU  61           HA       LEU  61   5.315  10.948   3.115
  410   1HB   LEU  61          2HB       LEU  61   6.817   8.390   2.517
  411    HG   LEU  61           HG       LEU  61   4.594   7.888   3.514
  412   1HD1  LEU  61          1HD1      LEU  61   5.462   6.543   5.375
  413   2HD1  LEU  61          2HD1      LEU  61   6.483   6.429   3.939
  414   3HD1  LEU  61          3HD1      LEU  61   6.982   7.437   5.298
  415   1HD2  LEU  61          1HD2      LEU  61   5.621   9.663   5.721
  416   2HD2  LEU  61          2HD2      LEU  61   4.143   9.862   4.782
  417   3HD2  LEU  61          3HD2      LEU  61   4.291   8.523   5.919
  418    H    ASP  62           H        ASP  62   6.280   9.737   0.031
  419    HA   ASP  62           HA       ASP  62   8.303  11.848  -0.184
  420   1HB   ASP  62          2HB       ASP  62   8.408   8.979  -1.038
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1  16.479 -10.154  -1.798
    2   2H    MET   1          2H        MET   1  15.357  -9.930  -3.046
    3   3H    MET   1          3H        MET   1  16.356 -11.300  -3.042
    4    HA   MET   1           HA       MET   1  14.168 -11.923  -2.350
    5   1HB   MET   1          2HB       MET   1  14.698 -12.966  -0.219
    6   1HG   MET   1          2HG       MET   1  17.145 -11.220  -0.113
    7   1HE   MET   1          1HE       MET   1  18.509 -14.710   1.021
    8   2HE   MET   1          2HE       MET   1  17.394 -14.396  -0.309
    9   3HE   MET   1          3HE       MET   1  18.762 -13.316  -0.030
   10    H    ASP   2           H        ASP   2  15.186  -8.905  -1.237
   11    HA   ASP   2           HA       ASP   2  12.557  -8.397  -0.116
   12   1HB   ASP   2          2HB       ASP   2  13.452  -7.345   1.929
   13    H    GLU   3           H        GLU   3  12.053  -6.128  -0.013
   14    HA   GLU   3           HA       GLU   3  13.960  -4.389  -1.406
   15   1HB   GLU   3          2HB       GLU   3  11.076  -4.814  -2.180
   16   1HG   GLU   3          2HG       GLU   3  13.614  -4.927  -3.804
   17    H    THR   4           H        THR   4  10.634  -3.689  -0.692
   18    HA   THR   4           HA       THR   4   9.696  -1.883   0.331
   19    HB   THR   4           HB       THR   4   9.820  -3.641   2.090
   20    HG1  THR   4           1HG      THR   4   8.982  -1.282   2.286
   21   1HG2  THR   4          1HG2      THR   4  11.354  -3.334   3.981
   22   2HG2  THR   4          2HG2      THR   4  12.175  -2.042   3.105
   23   3HG2  THR   4          3HG2      THR   4  12.226  -3.694   2.491
   24    H    GLY   5           H        GLY   5  12.176  -1.168  -1.016
   25   1HA   GLY   5          1HA       GLY   5  12.854   1.210   0.595
   26   2HA   GLY   5          2HA       GLY   5  14.104   0.276  -0.220
   27    H    LYS   6           H        LYS   6  11.038   1.916  -0.910
   28    HA   LYS   6           HA       LYS   6  12.254   3.189  -3.247
   29   1HB   LYS   6          2HB       LYS   6   9.527   1.868  -3.399
   30   1HG   LYS   6          2HG       LYS   6  11.897   0.780  -4.881
   31   1HD   LYS   6          2HD       LYS   6   9.135  -0.218  -4.216
   32   1HE   LYS   6          2HE       LYS   6  10.802  -2.031  -4.043
   33   1HZ   LYS   6          1HZ       LYS   6  12.446  -1.176  -5.609
   34   2HZ   LYS   6          2HZ       LYS   6  11.367  -1.424  -6.896
   35   3HZ   LYS   6          3HZ       LYS   6  11.958  -2.751  -6.014
   36    H    GLU   7           H        GLU   7   9.840   4.340  -4.146
   37    HA   GLU   7           HA       GLU   7   9.357   6.477  -2.413
   38   1HB   GLU   7          2HB       GLU   7   8.760   6.495  -4.818
   39   1HG   GLU   7          2HG       GLU   7   6.569   7.519  -4.745
   40    H    LEU   8           H        LEU   8   8.318   6.553  -0.509
   41    HA   LEU   8           HA       LEU   8   6.815   4.152   0.254
   42   1HB   LEU   8          2HB       LEU   8   8.223   6.204   1.947
   43    HG   LEU   8           HG       LEU   8   9.712   4.545   0.833
   44   1HD1  LEU   8          1HD1      LEU   8  10.881   3.855   2.875
   45   2HD1  LEU   8          2HD1      LEU   8  10.362   5.537   2.953
   46   3HD1  LEU   8          3HD1      LEU   8   9.464   4.294   3.827
   47   1HD2  LEU   8          1HD2      LEU   8   8.147   2.549   2.455
   48   2HD2  LEU   8          2HD2      LEU   8   8.168   2.677   0.696
   49   3HD2  LEU   8          3HD2      LEU   8   9.632   2.213   1.565
   50    H    VAL   9           H        VAL   9   5.046   4.321   1.655
   51    HA   VAL   9           HA       VAL   9   3.619   6.886   1.640
   52    HB   VAL   9           HB       VAL   9   1.472   5.503   1.233
   53   1HG1  VAL   9          1HG1      VAL   9   2.365   7.221  -0.267
   54   2HG1  VAL   9          2HG1      VAL   9   3.360   5.996  -1.057
   55   3HG1  VAL   9          3HG1      VAL   9   1.602   5.894  -1.137
   56   1HG2  VAL   9          1HG2      VAL   9   3.517   3.697  -0.044
   57   2HG2  VAL   9          2HG2      VAL   9   2.474   3.299   1.322
   58   3HG2  VAL   9          3HG2      VAL   9   1.771   3.591  -0.268
   59    H    LEU  10           H        LEU  10   1.830   6.928   3.123
   60    HA   LEU  10           HA       LEU  10   2.345   5.343   5.542
   61   1HB   LEU  10          2HB       LEU  10   2.651   7.831   5.604
   62    HG   LEU  10           HG       LEU  10   1.411   8.461   7.542
   63   1HD1  LEU  10          1HD1      LEU  10  -0.356   7.224   8.503
   64   2HD1  LEU  10          2HD1      LEU  10  -0.750   7.731   6.861
   65   3HD1  LEU  10          3HD1      LEU  10  -0.287   6.062   7.171
   66   1HD2  LEU  10          1HD2      LEU  10   2.048   5.542   7.848
   67   2HD2  LEU  10          2HD2      LEU  10   3.265   6.821   7.818
   68   3HD2  LEU  10          3HD2      LEU  10   2.058   6.779   9.101
   69    H    ALA  11           H        ALA  11   0.611   4.312   6.547
   70    HA   ALA  11           HA       ALA  11  -1.737   3.925   4.840
   71   1HB   ALA  11          1HB       ALA  11  -2.172   1.933   6.041
   72   2HB   ALA  11          2HB       ALA  11  -0.430   1.968   5.783
   73   3HB   ALA  11          3HB       ALA  11  -1.098   2.400   7.362
   74    H    LEU  12           H        LEU  12  -3.502   5.079   5.242
   75    HA   LEU  12           HA       LEU  12  -3.726   6.565   7.727
   76   1HB   LEU  12          2HB       LEU  12  -5.413   6.589   5.235
   77    HG   LEU  12           HG       LEU  12  -3.181   7.605   4.842
   78   1HD1  LEU  12          1HD1      LEU  12  -3.980   9.749   4.014
   79   2HD1  LEU  12          2HD1      LEU  12  -5.178   8.489   3.710
   80   3HD1  LEU  12          3HD1      LEU  12  -5.414   9.632   5.034
   81   1HD2  LEU  12          1HD2      LEU  12  -3.927   9.534   7.042
   82   2HD2  LEU  12          2HD2      LEU  12  -2.715   8.262   7.184
   83   3HD2  LEU  12          3HD2      LEU  12  -2.481   9.577   6.040
   84    H    TYR  13           H        TYR  13  -5.350   3.882   6.170
   85    HA   TYR  13           HA       TYR  13  -7.027   3.677   8.566
   86   1HB   TYR  13          2HB       TYR  13  -8.167   3.074   5.848
   87    HD1  TYR  13           1HD      TYR  13  -8.721   5.743   8.386
   88    HD2  TYR  13           2HD      TYR  13  -8.060   4.805   4.293
   89    HE1  TYR  13           1HE      TYR  13  -9.082   8.102   7.794
   90    HE2  TYR  13           2HE      TYR  13  -8.419   7.162   3.689
   91    HH   TYR  13           HH       TYR  13  -8.449   9.656   5.965
   92    H    ASP  14           H        ASP  14  -8.002   1.517   8.791
   93    HA   ASP  14           HA       ASP  14  -5.965  -0.480   8.250
   94   1HB   ASP  14          2HB       ASP  14  -8.558  -0.663   9.808
   95    H    TYR  15           H        TYR  15  -6.042  -1.284   6.231
   96    HA   TYR  15           HA       TYR  15  -8.684  -1.820   5.079
   97   1HB   TYR  15          2HB       TYR  15  -7.267  -0.421   3.685
   98    HD1  TYR  15           1HD      TYR  15  -5.769  -3.038   1.918
   99    HD2  TYR  15           2HD      TYR  15  -9.592  -1.402   2.816
  100    HE1  TYR  15           1HE      TYR  15  -6.706  -4.152  -0.063
  101    HE2  TYR  15           2HE      TYR  15 -10.537  -2.509   0.843
  102    HH   TYR  15           HH       TYR  15  -8.774  -4.866  -0.962
  103    H    GLN  16           H        GLN  16  -9.277  -3.817   4.395
  104    HA   GLN  16           HA       GLN  16  -7.481  -6.050   5.115
  105   1HB   GLN  16          2HB       GLN  16  -9.492  -5.817   6.574
  106   1HG   GLN  16          2HG       GLN  16 -10.481  -8.069   6.255
  107   1HE2  GLN  16          1HE2      GLN  16  -8.420  -9.989   5.556
  108   2HE2  GLN  16          2HE2      GLN  16  -7.197  -9.848   6.778
  109    H    GLU  17           H        GLU  17  -6.898  -7.293   3.437
  110    HA   GLU  17           HA       GLU  17  -7.576  -6.679   0.802
  111   1HB   GLU  17          2HB       GLU  17  -6.414  -8.743   0.185
  112   1HG   GLU  17          2HG       GLU  17  -6.640  -9.379   3.101
  113    H    LYS  18           H        LYS  18  -9.122  -7.311  -0.558
  114    HA   LYS  18           HA       LYS  18 -11.297  -8.894   0.564
  115   1HB   LYS  18          2HB       LYS  18 -11.189  -7.297  -2.009
  116   1HG   LYS  18          2HG       LYS  18 -12.578  -6.581   0.572
  117   1HD   LYS  18          2HD       LYS  18 -13.669  -5.859  -1.583
  118   1HE   LYS  18          2HE       LYS  18 -12.626  -3.882  -2.697
  119   1HZ   LYS  18          1HZ       LYS  18 -10.876  -6.255  -2.986
  120   2HZ   LYS  18          2HZ       LYS  18 -11.274  -5.101  -4.162
  121   3HZ   LYS  18          3HZ       LYS  18 -12.449  -6.200  -3.616
  122    H    SER  19           H        SER  19  -9.211  -8.746  -2.286
  123    HA   SER  19           HA       SER  19  -9.676 -11.616  -2.681
  124   1HB   SER  19          2HB       SER  19  -9.452 -11.163  -5.164
  125    HG   SER  19           HG       SER  19  -9.384  -8.543  -4.187
  126    HA   PRO  20           HA       PRO  20  -5.367 -12.356  -2.665
  127   1HB   PRO  20          2HB       PRO  20  -5.530 -13.232  -5.518
  128   1HG   PRO  20          2HG       PRO  20  -7.145 -14.860  -5.008
  129   1HD   PRO  20          2HD       PRO  20  -8.263 -12.825  -5.231
  130    H    ALA  21           H        ALA  21  -6.550 -10.201  -5.089
  131    HA   ALA  21           HA       ALA  21  -3.939  -9.432  -6.052
  132   1HB   ALA  21          1HB       ALA  21  -5.102  -7.698  -7.302
  133   2HB   ALA  21          2HB       ALA  21  -5.884  -9.266  -7.525
  134   3HB   ALA  21          3HB       ALA  21  -6.601  -8.070  -6.444
  135    H    GLU  22           H        GLU  22  -6.030  -8.543  -3.454
  136    HA   GLU  22           HA       GLU  22  -4.592  -6.027  -3.013
  137   1HB   GLU  22          2HB       GLU  22  -7.006  -7.196  -1.611
  138   1HG   GLU  22          2HG       GLU  22  -7.939  -4.897  -2.424
  139    H    VAL  23           H        VAL  23  -3.702  -5.541  -0.900
  140    HA   VAL  23           HA       VAL  23  -3.080  -7.924   0.716
  141    HB   VAL  23           HB       VAL  23  -1.054  -6.608   1.524
  142   1HG1  VAL  23          1HG1      VAL  23  -0.829  -8.538   0.084
  143   2HG1  VAL  23          2HG1      VAL  23  -1.121  -7.538  -1.341
  144   3HG1  VAL  23          3HG1      VAL  23   0.335  -7.296  -0.376
  145   1HG2  VAL  23          1HG2      VAL  23  -0.147  -4.948  -0.068
  146   2HG2  VAL  23          2HG2      VAL  23  -1.668  -5.014  -0.959
  147   3HG2  VAL  23          3HG2      VAL  23  -1.644  -4.421   0.700
  148    H    THR  24           H        THR  24  -2.874  -7.551   2.987
  149    HA   THR  24           HA       THR  24  -4.767  -5.538   3.910
  150    HB   THR  24           HB       THR  24  -3.461  -7.828   5.390
  151    HG1  THR  24           1HG      THR  24  -4.907  -8.588   3.851
  152   1HG2  THR  24          1HG2      THR  24  -4.082  -6.066   6.933
  153   2HG2  THR  24          2HG2      THR  24  -5.193  -7.428   7.096
  154   3HG2  THR  24          3HG2      THR  24  -5.691  -5.979   6.221
  155    H    MET  25           H        MET  25  -4.176  -3.727   4.903
  156    HA   MET  25           HA       MET  25  -1.546  -3.577   6.190
  157   1HB   MET  25          2HB       MET  25  -1.079  -1.400   5.246
  158   1HG   MET  25          2HG       MET  25  -3.602  -1.667   3.632
  159   1HE   MET  25          1HE       MET  25  -3.348   2.061   2.176
  160   2HE   MET  25          2HE       MET  25  -4.404   0.655   2.298
  161   3HE   MET  25          3HE       MET  25  -4.011   1.590   3.740
  162    H    LYS  26           H        LYS  26  -1.472  -2.169   7.962
  163    HA   LYS  26           HA       LYS  26  -4.149  -1.335   8.873
  164   1HB   LYS  26          2HB       LYS  26  -1.802  -2.305  10.528
  165   1HG   LYS  26          2HG       LYS  26  -3.606  -3.821  11.466
  166   1HD   LYS  26          2HD       LYS  26  -2.756  -4.176   8.597
  167   1HE   LYS  26          2HE       LYS  26  -4.570  -5.687   9.136
  168   1HZ   LYS  26          1HZ       LYS  26  -4.300  -7.323  10.902
  169   2HZ   LYS  26          2HZ       LYS  26  -4.408  -5.752  11.525
  170   3HZ   LYS  26          3HZ       LYS  26  -2.902  -6.531  11.444
  171    H    LYS  27           H        LYS  27  -4.361   0.542  10.091
  172    HA   LYS  27           HA       LYS  27  -2.962   2.792   9.217
  173   1HB   LYS  27          2HB       LYS  27  -5.083   3.195  10.127
  174   1HG   LYS  27          2HG       LYS  27  -4.880   4.489  12.224
  175   1HD   LYS  27          2HD       LYS  27  -2.664   5.102  10.279
  176   1HE   LYS  27          2HE       LYS  27  -4.296   6.812  12.146
  177   1HZ   LYS  27          1HZ       LYS  27  -3.834   7.930  10.025
  178   2HZ   LYS  27          2HZ       LYS  27  -2.171   7.666  10.256
  179   3HZ   LYS  27          3HZ       LYS  27  -3.032   8.653  11.330
  180    H    GLY  28           H        GLY  28  -1.026   3.554   9.698
  181   1HA   GLY  28          1HA       GLY  28   0.730   4.177  11.208
  182   2HA   GLY  28          2HA       GLY  28   0.185   2.904  12.297
  183    H    ASP  29           H        ASP  29   0.744   2.519   8.833
  184    HA   ASP  29           HA       ASP  29   3.173   0.985   9.422
  185   1HB   ASP  29          2HB       ASP  29   0.800  -0.186   8.624
  186    H    ILE  30           H        ILE  30   4.702   0.923   7.693
  187    HA   ILE  30           HA       ILE  30   4.383   3.153   5.810
  188    HB   ILE  30           HB       ILE  30   6.837   1.801   6.930
  189   1HG1  ILE  30          2HG1      ILE  30   7.537   4.127   7.396
  190   1HG2  ILE  30          1HG2      ILE  30   8.220   3.060   5.345
  191   2HG2  ILE  30          2HG2      ILE  30   7.190   1.882   4.532
  192   3HG2  ILE  30          3HG2      ILE  30   6.761   3.593   4.510
  193   1HD1  ILE  30          1HD1      ILE  30   4.774   3.612   8.451
  194   2HD1  ILE  30          2HD1      ILE  30   6.276   3.009   9.152
  195   3HD1  ILE  30          3HD1      ILE  30   5.957   4.743   9.111
  196    H    LEU  31           H        LEU  31   3.656   2.584   3.917
  197    HA   LEU  31           HA       LEU  31   4.116  -0.118   2.901
  198   1HB   LEU  31          2HB       LEU  31   2.220   2.092   2.222
  199    HG   LEU  31           HG       LEU  31   0.495   0.429   2.284
  200   1HD1  LEU  31          1HD1      LEU  31   2.692  -1.579   2.713
  201   2HD1  LEU  31          2HD1      LEU  31   0.961  -1.913   2.764
  202   3HD1  LEU  31          3HD1      LEU  31   1.714  -1.392   1.259
  203   1HD2  LEU  31          1HD2      LEU  31   1.173   1.365   4.446
  204   2HD2  LEU  31          2HD2      LEU  31   0.584  -0.291   4.599
  205   3HD2  LEU  31          3HD2      LEU  31   2.316   0.038   4.654
  206    H    THR  32           H        THR  32   5.040  -0.511   0.885
  207    HA   THR  32           HA       THR  32   6.724   1.674  -0.141
  208    HB   THR  32           HB       THR  32   7.014  -1.308  -0.564
  209    HG1  THR  32           1HG      THR  32   7.532   0.115   1.576
  210   1HG2  THR  32          1HG2      THR  32   7.989  -0.072  -2.390
  211   2HG2  THR  32          2HG2      THR  32   9.293  -0.656  -1.352
  212   3HG2  THR  32          3HG2      THR  32   8.787   1.033  -1.268
  213    H    LEU  33           H        LEU  33   6.218   2.544  -2.067
  214    HA   LEU  33           HA       LEU  33   3.980   1.491  -3.519
  215   1HB   LEU  33          2HB       LEU  33   5.651   3.929  -3.682
  216    HG   LEU  33           HG       LEU  33   3.501   3.985  -2.476
  217   1HD1  LEU  33          1HD1      LEU  33   2.629   5.987  -3.539
  218   2HD1  LEU  33          2HD1      LEU  33   4.391   5.995  -3.527
  219   3HD1  LEU  33          3HD1      LEU  33   3.526   5.609  -5.013
  220   1HD2  LEU  33          1HD2      LEU  33   2.280   2.327  -3.754
  221   2HD2  LEU  33          2HD2      LEU  33   1.411   3.861  -3.776
  222   3HD2  LEU  33          3HD2      LEU  33   2.341   3.353  -5.186
  223    H    LEU  34           H        LEU  34   3.956   0.225  -5.161
  224    HA   LEU  34           HA       LEU  34   6.470  -0.440  -6.537
  225   1HB   LEU  34          2HB       LEU  34   3.882  -1.992  -6.538
  226    HG   LEU  34           HG       LEU  34   4.721  -1.916  -4.215
  227   1HD1  LEU  34          1HD1      LEU  34   3.535  -3.866  -5.038
  228   2HD1  LEU  34          2HD1      LEU  34   5.046  -4.557  -5.631
  229   3HD1  LEU  34          3HD1      LEU  34   4.794  -4.340  -3.896
  230   1HD2  LEU  34          1HD2      LEU  34   6.857  -3.077  -3.708
  231   2HD2  LEU  34          2HD2      LEU  34   7.213  -3.103  -5.434
  232   3HD2  LEU  34          3HD2      LEU  34   7.077  -1.562  -4.585
  233    H    ASN  35           H        ASN  35   3.105   0.459  -6.940
  234    HA   ASN  35           HA       ASN  35   3.625   1.569  -9.561
  235   1HB   ASN  35          2HB       ASN  35   3.074  -0.835 -10.009
  236   1HD2  ASN  35          1HD2      ASN  35   3.418  -0.098 -12.048
  237   2HD2  ASN  35          2HD2      ASN  35   2.164   0.571 -13.042
  238    H    SER  36           H        SER  36   2.334   3.334  -9.898
  239    HA   SER  36           HA       SER  36  -0.044   3.652  -8.213
  240   1HB   SER  36          2HB       SER  36   0.712   6.011  -7.709
  241    HG   SER  36           HG       SER  36   2.403   6.604  -8.806
  242    H    THR  37           H        THR  37   0.376   3.138 -11.089
  243    HA   THR  37           HA       THR  37  -0.119   5.590 -12.481
  244    HB   THR  37           HB       THR  37   0.942   3.560 -13.528
  245    HG1  THR  37           1HG      THR  37  -1.271   4.902 -14.690
  246   1HG2  THR  37          1HG2      THR  37  -1.909   2.555 -13.565
  247   2HG2  THR  37          2HG2      THR  37  -0.559   1.838 -12.686
  248   3HG2  THR  37          3HG2      THR  37  -0.561   1.835 -14.448
  249    H    ASN  38           H        ASN  38  -2.008   3.729 -10.510
  250    HA   ASN  38           HA       ASN  38  -4.532   4.535 -11.791
  251   1HB   ASN  38          2HB       ASN  38  -4.154   2.102 -11.202
  252   1HD2  ASN  38          1HD2      ASN  38  -5.910   0.750 -10.841
  253   2HD2  ASN  38          2HD2      ASN  38  -7.509   1.380 -10.592
  254    H    LYS  39           H        LYS  39  -6.101   5.656 -10.420
  255    HA   LYS  39           HA       LYS  39  -4.714   7.227  -8.370
  256   1HB   LYS  39          2HB       LYS  39  -6.387   8.946  -8.668
  257   1HG   LYS  39          2HG       LYS  39  -8.313   7.393  -9.263
  258   1HD   LYS  39          2HD       LYS  39  -7.243   6.182 -11.101
  259   1HE   LYS  39          2HE       LYS  39  -7.352   8.834 -12.531
  260   1HZ   LYS  39          1HZ       LYS  39  -7.846   7.133 -14.077
  261   2HZ   LYS  39          2HZ       LYS  39  -6.634   6.118 -13.473
  262   3HZ   LYS  39          3HZ       LYS  39  -6.211   7.534 -14.304
  263    H    ASP  40           H        ASP  40  -6.997   4.749  -8.653
  264    HA   ASP  40           HA       ASP  40  -8.126   5.410  -6.015
  265   1HB   ASP  40          2HB       ASP  40  -9.156   3.637  -8.223
  266    H    TRP  41           H        TRP  41  -6.192   3.129  -7.753
  267    HA   TRP  41           HA       TRP  41  -5.885   1.583  -5.274
  268   1HB   TRP  41          2HB       TRP  41  -6.085   0.464  -8.080
  269    HD1  TRP  41           HD       TRP  41  -8.645   1.069  -8.396
  270    HE1  TRP  41           1HE      TRP  41 -10.795   0.200  -7.269
  271    HE3  TRP  41           3HE      TRP  41  -6.560  -1.297  -4.374
  272    HZ2  TRP  41           2HZ      TRP  41 -11.505  -1.280  -4.979
  273    HZ3  TRP  41           3HZ      TRP  41  -8.044  -2.413  -2.762
  274    HH2  TRP  41           HH       TRP  41 -10.464  -2.402  -3.059
  275    H    TRP  42           H        TRP  42  -3.867   1.390  -4.612
  276    HA   TRP  42           HA       TRP  42  -1.706   1.880  -6.558
  277   1HB   TRP  42          2HB       TRP  42  -2.001   2.754  -3.692
  278    HD1  TRP  42           HD       TRP  42  -2.603   3.739  -7.036
  279    HE1  TRP  42           1HE      TRP  42  -2.332   6.258  -7.425
  280    HE3  TRP  42           3HE      TRP  42  -0.031   4.950  -2.790
  281    HZ2  TRP  42           2HZ      TRP  42  -1.187   8.466  -6.111
  282    HZ3  TRP  42           3HZ      TRP  42   0.623   7.309  -2.437
  283    HH2  TRP  42           HH       TRP  42   0.048   9.017  -4.064
  284    H    LYS  43           H        LYS  43  -0.187   0.364  -6.769
  285    HA   LYS  43           HA       LYS  43  -0.480  -2.108  -5.270
  286   1HB   LYS  43          2HB       LYS  43  -0.068  -2.025  -7.767
  287   1HG   LYS  43          2HG       LYS  43   1.985  -3.505  -6.121
  288   1HD   LYS  43          2HD       LYS  43   1.214  -3.732  -9.023
  289   1HE   LYS  43          2HE       LYS  43   1.239  -5.986  -8.205
  290   1HZ   LYS  43          1HZ       LYS  43   2.434  -5.662  -6.135
  291   2HZ   LYS  43          2HZ       LYS  43   3.871  -5.360  -6.984
  292   3HZ   LYS  43          3HZ       LYS  43   3.151  -6.894  -7.051
  293    H    VAL  44           H        VAL  44   0.618  -2.465  -3.452
  294    HA   VAL  44           HA       VAL  44   3.172  -1.072  -3.040
  295    HB   VAL  44           HB       VAL  44   2.505  -0.660  -0.663
  296   1HG1  VAL  44          1HG1      VAL  44   0.775   0.684  -2.738
  297   2HG1  VAL  44          2HG1      VAL  44   1.128   1.306  -1.126
  298   3HG1  VAL  44          3HG1      VAL  44   2.424   1.141  -2.312
  299   1HG2  VAL  44          1HG2      VAL  44   0.096  -0.674  -0.128
  300   2HG2  VAL  44          2HG2      VAL  44  -0.224  -1.439  -1.684
  301   3HG2  VAL  44          3HG2      VAL  44   0.725  -2.287  -0.465
  302    H    GLU  45           H        GLU  45   4.376  -1.925  -1.185
  303    HA   GLU  45           HA       GLU  45   3.906  -4.799  -0.750
  304   1HB   GLU  45          2HB       GLU  45   5.927  -4.415  -2.069
  305   1HG   GLU  45          2HG       GLU  45   6.771  -5.014   0.759
  306    H    VAL  46           H        VAL  46   3.464  -5.364   1.279
  307    HA   VAL  46           HA       VAL  46   4.367  -3.595   3.471
  308    HB   VAL  46           HB       VAL  46   2.551  -5.510   4.493
  309   1HG1  VAL  46          1HG1      VAL  46   3.109  -3.208   5.295
  310   2HG1  VAL  46          2HG1      VAL  46   2.035  -2.586   4.044
  311   3HG1  VAL  46          3HG1      VAL  46   1.391  -3.623   5.320
  312   1HG2  VAL  46          1HG2      VAL  46   0.498  -4.983   3.293
  313   2HG2  VAL  46          2HG2      VAL  46   1.422  -4.050   2.117
  314   3HG2  VAL  46          3HG2      VAL  46   1.670  -5.791   2.253
  315    H    ASN  47           H        ASN  47   6.197  -4.386   4.202
  316    HA   ASN  47           HA       ASN  47   7.663  -5.713   5.304
  317   1HB   ASN  47          2HB       ASN  47   5.288  -7.566   5.614
  318   1HD2  ASN  47          1HD2      ASN  47   3.884  -5.973   6.286
  319   2HD2  ASN  47          2HD2      ASN  47   4.089  -5.111   7.766
  320    H    ASP  48           H        ASP  48   5.631  -7.664   3.162
  321    HA   ASP  48           HA       ASP  48   7.824  -8.537   1.577
  322   1HB   ASP  48          2HB       ASP  48   7.345 -10.977   2.023
  323    H    ARG  49           H        ARG  49   4.490  -8.244   2.294
  324    HA   ARG  49           HA       ARG  49   3.691  -9.893   0.025
  325   1HB   ARG  49          2HB       ARG  49   2.035  -8.427   2.083
  326   1HG   ARG  49          2HG       ARG  49   3.104 -10.387   3.050
  327   1HD   ARG  49          2HD       ARG  49   2.243 -12.638   2.149
  328    HE   ARG  49           HE       ARG  49   4.632 -11.483   1.730
  329   1HH1  ARG  49          2HH1      ARG  49   2.516 -13.355  -0.351
  330   2HH1  ARG  49          1HH1      ARG  49   3.812 -14.006  -1.304
  331   1HH2  ARG  49          2HH2      ARG  49   6.334 -12.322   0.456
  332   2HH2  ARG  49          1HH2      ARG  49   5.982 -13.394  -0.860
  333    H    GLN  50           H        GLN  50   3.117  -9.108  -1.884
  334    HA   GLN  50           HA       GLN  50   3.001  -6.173  -2.155
  335   1HB   GLN  50          2HB       GLN  50   3.733  -8.198  -4.281
  336   1HG   GLN  50          2HG       GLN  50   5.495  -6.511  -2.542
  337   1HE2  GLN  50          1HE2      GLN  50   7.646  -6.223  -3.145
  338   2HE2  GLN  50          2HE2      GLN  50   8.108  -6.247  -4.804
  339    H    GLY  51           H        GLY  51   1.059  -5.383  -2.633
  340   1HA   GLY  51          1HA       GLY  51  -0.689  -6.747  -4.488
  341   2HA   GLY  51          2HA       GLY  51  -1.278  -6.736  -2.832
  342    H    PHE  52           H        PHE  52  -3.006  -5.555  -4.188
  343    HA   PHE  52           HA       PHE  52  -2.360  -2.725  -4.526
  344   1HB   PHE  52          2HB       PHE  52  -4.729  -4.413  -5.314
  345    HD1  PHE  52           1HD      PHE  52  -3.748  -1.489  -7.163
  346    HD2  PHE  52           2HD      PHE  52  -3.113  -5.675  -6.724
  347    HE1  PHE  52           1HE      PHE  52  -2.738  -1.564  -9.406
  348    HE2  PHE  52           2HE      PHE  52  -2.094  -5.762  -8.957
  349    HZ   PHE  52           HZ       PHE  52  -1.901  -3.705 -10.306
  350    H    VAL  53           H        VAL  53  -3.206  -1.130  -3.333
  351    HA   VAL  53           HA       VAL  53  -5.330  -1.761  -1.400
  352    HB   VAL  53           HB       VAL  53  -4.339  -0.267   0.251
  353   1HG1  VAL  53          1HG1      VAL  53  -2.437  -1.612   0.948
  354   2HG1  VAL  53          2HG1      VAL  53  -3.757  -2.628   0.367
  355   3HG1  VAL  53          3HG1      VAL  53  -2.353  -2.335  -0.659
  356   1HG2  VAL  53          1HG2      VAL  53  -3.187   1.276  -1.192
  357   2HG2  VAL  53          2HG2      VAL  53  -2.041   0.590  -0.041
  358   3HG2  VAL  53          3HG2      VAL  53  -2.067   0.015  -1.711
  359    HA   PRO  54           HA       PRO  54  -7.309   1.931  -2.964
  360   1HB   PRO  54          2HB       PRO  54  -7.753   2.732  -0.147
  361   1HG   PRO  54          2HG       PRO  54  -8.678   0.724   0.552
  362   1HD   PRO  54          2HD       PRO  54  -6.432   0.183   0.443
  363    H    ALA  55           H        ALA  55  -6.242   3.647  -3.705
  364    HA   ALA  55           HA       ALA  55  -3.889   4.703  -2.571
  365   1HB   ALA  55          1HB       ALA  55  -5.777   5.986  -4.540
  366   2HB   ALA  55          2HB       ALA  55  -4.117   6.484  -4.218
  367   3HB   ALA  55          3HB       ALA  55  -4.438   4.910  -4.944
  368    H    ALA  56           H        ALA  56  -7.255   5.435  -2.090
  369    HA   ALA  56           HA       ALA  56  -6.857   7.982  -0.836
  370   1HB   ALA  56          1HB       ALA  56  -9.216   7.889  -0.330
  371   2HB   ALA  56          2HB       ALA  56  -8.949   7.371  -1.992
  372   3HB   ALA  56          3HB       ALA  56  -9.268   6.174  -0.736
  373    H    TYR  57           H        TYR  57  -6.189   4.891   0.143
  374    HA   TYR  57           HA       TYR  57  -6.751   5.448   2.983
  375   1HB   TYR  57          2HB       TYR  57  -6.210   2.901   1.468
  376    HD1  TYR  57           1HD      TYR  57  -7.732   1.843   4.241
  377    HD2  TYR  57           2HD      TYR  57  -8.603   4.335   0.899
  378    HE1  TYR  57           1HE      TYR  57 -10.125   1.404   4.547
  379    HE2  TYR  57           2HE      TYR  57 -11.002   3.907   1.199
  380    HH   TYR  57           HH       TYR  57 -12.289   2.591   4.002
  381    H    VAL  58           H        VAL  58  -4.477   6.154   0.924
  382    HA   VAL  58           HA       VAL  58  -2.277   5.640   2.776
  383    HB   VAL  58           HB       VAL  58  -2.652   4.362   0.255
  384   1HG1  VAL  58          1HG1      VAL  58  -0.226   6.134   0.343
  385   2HG1  VAL  58          2HG1      VAL  58  -0.473   4.808  -0.792
  386   3HG1  VAL  58          3HG1      VAL  58  -1.548   6.206  -0.823
  387   1HG2  VAL  58          1HG2      VAL  58  -1.808   3.275   2.232
  388   2HG2  VAL  58          2HG2      VAL  58  -0.631   3.139   0.926
  389   3HG2  VAL  58          3HG2      VAL  58  -0.378   4.308   2.222
  390    H    LYS  59           H        LYS  59  -0.597   7.197   2.681
  391    HA   LYS  59           HA       LYS  59  -1.129   9.534   0.972
  392   1HB   LYS  59          2HB       LYS  59  -1.921   9.988   3.276
  393   1HG   LYS  59          2HG       LYS  59   0.536  11.507   2.447
  394   1HD   LYS  59          2HD       LYS  59  -0.304  13.272   4.004
  395   1HE   LYS  59          2HE       LYS  59   0.541  10.688   5.311
  396   1HZ   LYS  59          1HZ       LYS  59  -0.234  12.456   6.850
  397   2HZ   LYS  59          2HZ       LYS  59   0.960  13.483   6.215
  398   3HZ   LYS  59          3HZ       LYS  59   1.410  12.070   7.035
  399    H    LYS  60           H        LYS  60   0.649  10.485   0.071
  400    HA   LYS  60           HA       LYS  60   3.067   9.091  -0.112
  401   1HB   LYS  60          2HB       LYS  60   2.413  11.979  -0.657
  402   1HG   LYS  60          2HG       LYS  60   1.301  10.374  -2.119
  403   1HD   LYS  60          2HD       LYS  60   2.767   8.494  -1.989
  404   1HE   LYS  60          2HE       LYS  60   4.898   9.634  -1.679
  405   1HZ   LYS  60          1HZ       LYS  60   4.887  11.438  -3.147
  406   2HZ   LYS  60          2HZ       LYS  60   4.564  10.465  -4.499
  407   3HZ   LYS  60          3HZ       LYS  60   6.082  10.392  -3.750
  408    H    LEU  61           H        LEU  61   4.703   8.890   1.310
  409    HA   LEU  61           HA       LEU  61   4.983  10.704   3.529
  410   1HB   LEU  61          2HB       LEU  61   6.779   8.487   2.528
  411    HG   LEU  61           HG       LEU  61   4.611   7.695   3.530
  412   1HD1  LEU  61          1HD1      LEU  61   5.671   6.086   5.051
  413   2HD1  LEU  61          2HD1      LEU  61   6.585   6.284   3.555
  414   3HD1  LEU  61          3HD1      LEU  61   7.144   7.058   5.038
  415   1HD2  LEU  61          1HD2      LEU  61   5.730   9.110   5.937
  416   2HD2  LEU  61          2HD2      LEU  61   4.163   9.360   5.169
  417   3HD2  LEU  61          3HD2      LEU  61   4.490   7.859   6.032
  418    H    ASP  62           H        ASP  62   6.432  10.137   0.428
  419    HA   ASP  62           HA       ASP  62   7.867  11.328  -0.896
  420   1HB   ASP  62          2HB       ASP  62   5.949  13.150   0.234
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   8.772  -6.465  -4.635
    2   2H    MET   1          2H        MET   1   8.465  -6.734  -2.985
    3   3H    MET   1          3H        MET   1   8.010  -7.895  -4.135
    4    HA   MET   1           HA       MET   1  10.009  -8.527  -2.903
    5   1HB   MET   1          2HB       MET   1   9.467  -8.905  -5.511
    6   1HG   MET   1          2HG       MET   1  10.642 -10.532  -4.093
    7   1HE   MET   1          1HE       MET   1  12.761 -11.802  -3.195
    8   2HE   MET   1          2HE       MET   1  13.465 -11.758  -4.810
    9   3HE   MET   1          3HE       MET   1  14.417 -11.235  -3.420
   10    H    ASP   2           H        ASP   2  10.082  -6.108  -1.883
   11    HA   ASP   2           HA       ASP   2  12.797  -5.155  -2.511
   12   1HB   ASP   2          2HB       ASP   2  10.944  -3.684  -3.566
   13    H    GLU   3           H        GLU   3  13.099  -3.258  -0.623
   14    HA   GLU   3           HA       GLU   3  12.211  -4.527   1.892
   15   1HB   GLU   3          2HB       GLU   3  14.925  -3.426   1.179
   16   1HG   GLU   3          2HG       GLU   3  14.022  -6.020   2.411
   17    H    THR   4           H        THR   4  10.727  -2.574   0.671
   18    HA   THR   4           HA       THR   4   9.724  -0.561   1.001
   19    HB   THR   4           HB       THR   4  10.972  -0.587   3.754
   20    HG1  THR   4           1HG      THR   4   9.651  -2.586   2.691
   21   1HG2  THR   4          1HG2      THR   4   8.873   0.408   4.457
   22   2HG2  THR   4          2HG2      THR   4   8.235   0.281   2.819
   23   3HG2  THR   4          3HG2      THR   4   9.582   1.370   3.159
   24    H    GLY   5           H        GLY   5  12.213  -0.415  -0.319
   25   1HA   GLY   5          1HA       GLY   5  13.345   2.104   0.763
   26   2HA   GLY   5          2HA       GLY   5  14.313   0.882  -0.047
   27    H    LYS   6           H        LYS   6  11.657   3.143  -0.527
   28    HA   LYS   6           HA       LYS   6  12.593   4.400  -2.775
   29   1HB   LYS   6          2HB       LYS   6  10.972   3.434  -4.498
   30   1HG   LYS   6          2HG       LYS   6  11.201   0.994  -2.750
   31   1HD   LYS   6          2HD       LYS   6  10.053  -0.186  -4.444
   32   1HE   LYS   6          2HE       LYS   6  11.522  -0.099  -6.340
   33   1HZ   LYS   6          1HZ       LYS   6  13.026   0.657  -3.893
   34   2HZ   LYS   6          2HZ       LYS   6  13.696  -0.056  -5.269
   35   3HZ   LYS   6          3HZ       LYS   6  12.578  -0.916  -4.336
   36    H    GLU   7           H        GLU   7   9.875   4.376  -4.059
   37    HA   GLU   7           HA       GLU   7   8.773   6.600  -2.707
   38   1HB   GLU   7          2HB       GLU   7   7.605   4.752  -4.786
   39   1HG   GLU   7          2HG       GLU   7   8.979   6.666  -5.572
   40    H    LEU   8           H        LEU   8   7.772   6.686  -0.799
   41    HA   LEU   8           HA       LEU   8   6.576   4.189   0.189
   42   1HB   LEU   8          2HB       LEU   8   8.068   6.279   1.765
   43    HG   LEU   8           HG       LEU   8   9.532   4.737   0.533
   44   1HD1  LEU   8          1HD1      LEU   8  10.838   3.940   2.458
   45   2HD1  LEU   8          2HD1      LEU   8  10.279   5.596   2.685
   46   3HD1  LEU   8          3HD1      LEU   8   9.463   4.268   3.511
   47   1HD2  LEU   8          1HD2      LEU   8   9.554   2.353   1.148
   48   2HD2  LEU   8          2HD2      LEU   8   8.073   2.606   2.070
   49   3HD2  LEU   8          3HD2      LEU   8   8.074   2.833   0.321
   50    H    VAL   9           H        VAL   9   4.918   4.317   1.658
   51    HA   VAL   9           HA       VAL   9   3.452   6.852   1.775
   52    HB   VAL   9           HB       VAL   9   1.311   5.518   1.351
   53   1HG1  VAL   9          1HG1      VAL   9   3.204   5.922  -0.955
   54   2HG1  VAL   9          2HG1      VAL   9   1.444   5.834  -1.043
   55   3HG1  VAL   9          3HG1      VAL   9   2.217   7.177  -0.202
   56   1HG2  VAL   9          1HG2      VAL   9   1.559   3.561  -0.118
   57   2HG2  VAL   9          2HG2      VAL   9   3.305   3.624   0.117
   58   3HG2  VAL   9          3HG2      VAL   9   2.244   3.285   1.484
   59    H    LEU  10           H        LEU  10   1.793   6.902   3.359
   60    HA   LEU  10           HA       LEU  10   2.276   5.051   5.594
   61   1HB   LEU  10          2HB       LEU  10   2.651   7.378   6.171
   62    HG   LEU  10           HG       LEU  10   0.118   6.241   7.319
   63   1HD1  LEU  10          1HD1      LEU  10   2.212   5.163   7.936
   64   2HD1  LEU  10          2HD1      LEU  10   2.861   6.710   8.478
   65   3HD1  LEU  10          3HD1      LEU  10   1.491   5.983   9.318
   66   1HD2  LEU  10          1HD2      LEU  10   0.189   8.040   9.004
   67   2HD2  LEU  10          2HD2      LEU  10   1.427   8.854   8.048
   68   3HD2  LEU  10          3HD2      LEU  10  -0.193   8.624   7.383
   69    H    ALA  11           H        ALA  11   0.634   3.814   6.366
   70    HA   ALA  11           HA       ALA  11  -1.848   3.772   4.893
   71   1HB   ALA  11          1HB       ALA  11  -0.600   1.738   5.828
   72   2HB   ALA  11          2HB       ALA  11  -1.285   2.195   7.393
   73   3HB   ALA  11          3HB       ALA  11  -2.349   1.788   6.045
   74    H    LEU  12           H        LEU  12  -3.307   5.306   5.333
   75    HA   LEU  12           HA       LEU  12  -3.461   6.645   7.836
   76   1HB   LEU  12          2HB       LEU  12  -5.160   6.664   5.361
   77    HG   LEU  12           HG       LEU  12  -3.503   8.795   6.700
   78   1HD1  LEU  12          1HD1      LEU  12  -2.175   7.274   5.405
   79   2HD1  LEU  12          2HD1      LEU  12  -3.264   7.458   4.025
   80   3HD1  LEU  12          3HD1      LEU  12  -2.293   8.825   4.572
   81   1HD2  LEU  12          1HD2      LEU  12  -4.225  10.259   4.858
   82   2HD2  LEU  12          2HD2      LEU  12  -5.331   9.000   4.310
   83   3HD2  LEU  12          3HD2      LEU  12  -5.577   9.767   5.879
   84    H    TYR  13           H        TYR  13  -5.205   3.969   6.378
   85    HA   TYR  13           HA       TYR  13  -6.828   3.777   8.824
   86   1HB   TYR  13          2HB       TYR  13  -7.962   3.149   6.100
   87    HD1  TYR  13           1HD      TYR  13  -8.642   5.756   8.664
   88    HD2  TYR  13           2HD      TYR  13  -7.837   4.895   4.580
   89    HE1  TYR  13           1HE      TYR  13  -9.056   8.107   8.105
   90    HE2  TYR  13           2HE      TYR  13  -8.240   7.247   3.998
   91    HH   TYR  13           HH       TYR  13  -9.463   9.171   4.882
   92    H    ASP  14           H        ASP  14  -7.878   1.612   8.997
   93    HA   ASP  14           HA       ASP  14  -6.039  -0.482   8.214
   94   1HB   ASP  14          2HB       ASP  14  -7.410  -1.955   9.630
   95    H    TYR  15           H        TYR  15  -6.317  -1.730   6.523
   96    HA   TYR  15           HA       TYR  15  -8.965  -1.861   5.259
   97   1HB   TYR  15          2HB       TYR  15  -7.717  -0.260   3.945
   98    HD1  TYR  15           1HD      TYR  15  -6.082  -2.746   2.027
   99    HD2  TYR  15           2HD      TYR  15  -9.932  -1.186   2.945
  100    HE1  TYR  15           1HE      TYR  15  -6.979  -3.764  -0.026
  101    HE2  TYR  15           2HE      TYR  15 -10.837  -2.199   0.906
  102    HH   TYR  15           HH       TYR  15  -9.089  -4.473  -0.961
  103    H    GLN  16           H        GLN  16  -9.490  -3.848   4.399
  104    HA   GLN  16           HA       GLN  16  -7.451  -5.928   4.793
  105   1HB   GLN  16          2HB       GLN  16  -9.344  -6.099   6.388
  106   1HG   GLN  16          2HG       GLN  16  -9.767  -8.403   4.572
  107   1HE2  GLN  16          1HE2      GLN  16  -9.171  -6.992   7.705
  108   2HE2  GLN  16          2HE2      GLN  16  -9.745  -8.328   8.635
  109    H    GLU  17           H        GLU  17  -7.084  -7.345   3.241
  110    HA   GLU  17           HA       GLU  17  -7.447  -6.605   0.592
  111   1HB   GLU  17          2HB       GLU  17  -6.586  -8.894   0.093
  112   1HG   GLU  17          2HG       GLU  17  -6.913  -9.247   3.062
  113    H    LYS  18           H        LYS  18  -8.812  -7.250  -1.039
  114    HA   LYS  18           HA       LYS  18 -11.331  -8.455  -0.201
  115   1HB   LYS  18          2HB       LYS  18 -10.520  -7.300  -2.881
  116   1HG   LYS  18          2HG       LYS  18 -12.265  -6.090  -0.733
  117   1HD   LYS  18          2HD       LYS  18 -11.580  -5.119  -3.511
  118   1HE   LYS  18          2HE       LYS  18 -13.039  -3.753  -1.259
  119   1HZ   LYS  18          1HZ       LYS  18 -14.226  -3.135  -3.136
  120   2HZ   LYS  18          2HZ       LYS  18 -12.865  -3.146  -4.144
  121   3HZ   LYS  18          3HZ       LYS  18 -13.068  -1.902  -3.010
  122    H    SER  19           H        SER  19  -8.685  -8.939  -2.447
  123    HA   SER  19           HA       SER  19  -9.172 -11.822  -2.403
  124   1HB   SER  19          2HB       SER  19  -8.844 -11.984  -4.815
  125    HG   SER  19           HG       SER  19  -8.575  -9.146  -4.698
  126    HA   PRO  20           HA       PRO  20  -4.731 -12.231  -2.038
  127   1HB   PRO  20          2HB       PRO  20  -4.580 -13.448  -4.760
  128   1HG   PRO  20          2HG       PRO  20  -6.097 -15.154  -4.209
  129   1HD   PRO  20          2HD       PRO  20  -7.360 -13.268  -4.721
  130    H    ALA  21           H        ALA  21  -5.985 -10.639  -4.845
  131    HA   ALA  21           HA       ALA  21  -3.485  -9.583  -5.768
  132   1HB   ALA  21          1HB       ALA  21  -4.826  -8.187  -7.232
  133   2HB   ALA  21          2HB       ALA  21  -5.417  -9.849  -7.266
  134   3HB   ALA  21          3HB       ALA  21  -6.286  -8.622  -6.342
  135    H    GLU  22           H        GLU  22  -5.696  -8.797  -3.281
  136    HA   GLU  22           HA       GLU  22  -4.502  -6.128  -2.933
  137   1HB   GLU  22          2HB       GLU  22  -7.040  -7.328  -1.794
  138   1HG   GLU  22          2HG       GLU  22  -8.074  -5.259  -2.808
  139    H    VAL  23           H        VAL  23  -3.915  -5.521  -0.681
  140    HA   VAL  23           HA       VAL  23  -3.326  -7.882   0.984
  141    HB   VAL  23           HB       VAL  23  -1.336  -6.592   1.881
  142   1HG1  VAL  23          1HG1      VAL  23  -1.050  -8.511   0.447
  143   2HG1  VAL  23          2HG1      VAL  23  -1.284  -7.510  -0.988
  144   3HG1  VAL  23          3HG1      VAL  23   0.134  -7.273   0.033
  145   1HG2  VAL  23          1HG2      VAL  23  -1.873  -4.393   1.053
  146   2HG2  VAL  23          2HG2      VAL  23  -0.342  -4.926   0.358
  147   3HG2  VAL  23          3HG2      VAL  23  -1.812  -4.970  -0.614
  148    H    THR  24           H        THR  24  -3.186  -7.500   3.263
  149    HA   THR  24           HA       THR  24  -5.124  -5.505   4.128
  150    HB   THR  24           HB       THR  24  -3.820  -7.756   5.665
  151    HG1  THR  24           1HG      THR  24  -5.199  -8.588   4.106
  152   1HG2  THR  24          1HG2      THR  24  -5.612  -7.350   7.318
  153   2HG2  THR  24          2HG2      THR  24  -6.116  -5.935   6.391
  154   3HG2  THR  24          3HG2      THR  24  -4.524  -5.971   7.146
  155    H    MET  25           H        MET  25  -4.488  -3.619   4.894
  156    HA   MET  25           HA       MET  25  -1.822  -3.414   6.133
  157   1HB   MET  25          2HB       MET  25  -1.637  -1.137   5.334
  158   1HG   MET  25          2HG       MET  25  -4.155  -1.471   3.737
  159   1HE   MET  25          1HE       MET  25  -2.313  -0.540   1.786
  160   2HE   MET  25          2HE       MET  25  -1.436   0.973   2.010
  161   3HE   MET  25          3HE       MET  25  -1.059  -0.421   3.021
  162    H    LYS  26           H        LYS  26  -1.627  -1.670   7.745
  163    HA   LYS  26           HA       LYS  26  -4.165  -1.198   9.136
  164   1HB   LYS  26          2HB       LYS  26  -1.614  -2.049  10.536
  165   1HG   LYS  26          2HG       LYS  26  -3.105  -4.042  11.238
  166   1HD   LYS  26          2HD       LYS  26  -1.864  -3.852   8.499
  167   1HE   LYS  26          2HE       LYS  26  -2.442  -6.302  10.138
  168   1HZ   LYS  26          1HZ       LYS  26  -1.659  -7.415   8.075
  169   2HZ   LYS  26          2HZ       LYS  26  -0.442  -6.586   8.908
  170   3HZ   LYS  26          3HZ       LYS  26  -1.116  -5.911   7.510
  171    H    LYS  27           H        LYS  27  -4.262   0.702  10.293
  172    HA   LYS  27           HA       LYS  27  -2.833   2.895   9.390
  173   1HB   LYS  27          2HB       LYS  27  -4.861   3.402  10.417
  174   1HG   LYS  27          2HG       LYS  27  -4.551   4.674  12.458
  175   1HD   LYS  27          2HD       LYS  27  -2.181   5.057  10.640
  176   1HE   LYS  27          2HE       LYS  27  -3.735   7.072  12.248
  177   1HZ   LYS  27          1HZ       LYS  27  -1.858   8.479  11.824
  178   2HZ   LYS  27          2HZ       LYS  27  -2.477   7.920  10.343
  179   3HZ   LYS  27          3HZ       LYS  27  -1.060   7.239  10.985
  180    H    GLY  28           H        GLY  28  -0.791   3.415   9.624
  181   1HA   GLY  28          1HA       GLY  28   0.999   4.042  11.174
  182   2HA   GLY  28          2HA       GLY  28   0.601   2.598  12.100
  183    H    ASP  29           H        ASP  29   0.323   1.558   9.044
  184    HA   ASP  29           HA       ASP  29   3.010   0.468   9.019
  185   1HB   ASP  29          2HB       ASP  29   0.499  -0.113   7.487
  186    H    ILE  30           H        ILE  30   4.542   0.826   7.503
  187    HA   ILE  30           HA       ILE  30   4.050   3.042   5.636
  188    HB   ILE  30           HB       ILE  30   6.629   1.976   6.805
  189   1HG1  ILE  30          2HG1      ILE  30   6.960   4.364   7.452
  190   1HG2  ILE  30          1HG2      ILE  30   7.841   3.556   5.370
  191   2HG2  ILE  30          2HG2      ILE  30   7.010   2.312   4.435
  192   3HG2  ILE  30          3HG2      ILE  30   6.334   3.938   4.535
  193   1HD1  ILE  30          1HD1      ILE  30   4.356   3.272   8.491
  194   2HD1  ILE  30          2HD1      ILE  30   5.961   2.891   9.119
  195   3HD1  ILE  30          3HD1      ILE  30   5.336   4.537   9.234
  196    H    LEU  31           H        LEU  31   3.605   2.464   3.671
  197    HA   LEU  31           HA       LEU  31   4.238  -0.255   2.799
  198   1HB   LEU  31          2HB       LEU  31   2.198   1.770   1.979
  199    HG   LEU  31           HG       LEU  31   0.565   0.048   2.231
  200   1HD1  LEU  31          1HD1      LEU  31   1.166  -2.230   2.896
  201   2HD1  LEU  31          2HD1      LEU  31   1.787  -1.790   1.306
  202   3HD1  LEU  31          3HD1      LEU  31   2.868  -1.814   2.699
  203   1HD2  LEU  31          1HD2      LEU  31   2.457  -0.052   4.573
  204   2HD2  LEU  31          2HD2      LEU  31   1.188   1.143   4.310
  205   3HD2  LEU  31          3HD2      LEU  31   0.765  -0.546   4.594
  206    H    THR  32           H        THR  32   5.367  -0.701   1.006
  207    HA   THR  32           HA       THR  32   6.871   1.414  -0.280
  208    HB   THR  32           HB       THR  32   6.835  -1.480  -1.098
  209    HG1  THR  32           1HG      THR  32   7.836  -1.993   0.690
  210   1HG2  THR  32          1HG2      THR  32   9.180  -0.968  -1.707
  211   2HG2  THR  32          2HG2      THR  32   8.916   0.703  -1.203
  212   3HG2  THR  32          3HG2      THR  32   8.016   0.042  -2.568
  213    H    LEU  33           H        LEU  33   6.225   2.409  -2.114
  214    HA   LEU  33           HA       LEU  33   3.861   1.474  -3.471
  215   1HB   LEU  33          2HB       LEU  33   5.565   3.891  -3.615
  216    HG   LEU  33           HG       LEU  33   3.483   3.910  -2.291
  217   1HD1  LEU  33          1HD1      LEU  33   2.605   5.987  -3.213
  218   2HD1  LEU  33          2HD1      LEU  33   4.371   5.959  -3.249
  219   3HD1  LEU  33          3HD1      LEU  33   3.456   5.670  -4.729
  220   1HD2  LEU  33          1HD2      LEU  33   2.166   2.355  -3.611
  221   2HD2  LEU  33          2HD2      LEU  33   1.330   3.902  -3.473
  222   3HD2  LEU  33          3HD2      LEU  33   2.163   3.480  -4.970
  223    H    LEU  34           H        LEU  34   3.850   0.049  -4.996
  224    HA   LEU  34           HA       LEU  34   6.299  -0.491  -6.511
  225   1HB   LEU  34          2HB       LEU  34   3.748  -2.101  -6.415
  226    HG   LEU  34           HG       LEU  34   4.700  -2.003  -4.136
  227   1HD1  LEU  34          1HD1      LEU  34   3.572  -4.023  -4.996
  228   2HD1  LEU  34          2HD1      LEU  34   5.144  -4.663  -5.477
  229   3HD1  LEU  34          3HD1      LEU  34   4.793  -4.375  -3.771
  230   1HD2  LEU  34          1HD2      LEU  34   7.018  -1.560  -4.654
  231   2HD2  LEU  34          2HD2      LEU  34   6.896  -3.053  -3.725
  232   3HD2  LEU  34          3HD2      LEU  34   7.168  -3.118  -5.467
  233    H    ASN  35           H        ASN  35   2.894   0.316  -6.852
  234    HA   ASN  35           HA       ASN  35   3.416   1.487  -9.461
  235   1HB   ASN  35          2HB       ASN  35   2.683  -0.945  -9.787
  236   1HD2  ASN  35          1HD2      ASN  35   3.275  -0.452 -11.819
  237   2HD2  ASN  35          2HD2      ASN  35   2.247   0.353 -12.953
  238    H    SER  36           H        SER  36   2.471   3.421  -9.455
  239    HA   SER  36           HA       SER  36  -0.044   3.732  -7.980
  240   1HB   SER  36          2HB       SER  36   0.887   6.029  -7.289
  241    HG   SER  36           HG       SER  36   2.835   6.396  -8.003
  242    H    THR  37           H        THR  37   0.707   3.508 -10.885
  243    HA   THR  37           HA       THR  37   0.156   6.144 -11.940
  244    HB   THR  37           HB       THR  37   1.556   4.492 -13.203
  245    HG1  THR  37           1HG      THR  37  -0.704   5.795 -14.269
  246   1HG2  THR  37          1HG2      THR  37  -1.100   3.152 -13.735
  247   2HG2  THR  37          2HG2      THR  37   0.223   2.472 -12.791
  248   3HG2  THR  37          3HG2      THR  37   0.430   2.760 -14.517
  249    H    ASN  38           H        ASN  38  -1.660   3.743 -10.563
  250    HA   ASN  38           HA       ASN  38  -4.136   4.399 -11.966
  251   1HB   ASN  38          2HB       ASN  38  -3.551   2.049 -11.173
  252   1HD2  ASN  38          1HD2      ASN  38  -5.185   0.539 -10.875
  253   2HD2  ASN  38          2HD2      ASN  38  -6.854   0.987 -10.849
  254    H    LYS  39           H        LYS  39  -5.798   5.600 -10.924
  255    HA   LYS  39           HA       LYS  39  -4.696   7.325  -8.842
  256   1HB   LYS  39          2HB       LYS  39  -6.554   8.870  -9.378
  257   1HG   LYS  39          2HG       LYS  39  -7.132   7.598 -11.949
  258   1HD   LYS  39          2HD       LYS  39  -8.062   9.761 -11.147
  259   1HE   LYS  39          2HE       LYS  39  -9.551   7.983  -9.213
  260   1HZ   LYS  39          1HZ       LYS  39 -10.584   9.981  -8.456
  261   2HZ   LYS  39          2HZ       LYS  39 -10.876   9.833 -10.118
  262   3HZ   LYS  39          3HZ       LYS  39  -9.704  10.926  -9.554
  263    H    ASP  40           H        ASP  40  -6.667   4.655  -8.951
  264    HA   ASP  40           HA       ASP  40  -8.099   5.548  -6.533
  265   1HB   ASP  40          2HB       ASP  40  -8.925   3.467  -8.570
  266    H    TRP  41           H        TRP  41  -6.136   3.056  -7.985
  267    HA   TRP  41           HA       TRP  41  -5.922   1.757  -5.355
  268   1HB   TRP  41          2HB       TRP  41  -5.976   0.415  -8.067
  269    HD1  TRP  41           HD       TRP  41  -8.520   1.075  -8.509
  270    HE1  TRP  41           1HE      TRP  41 -10.722   0.211  -7.478
  271    HE3  TRP  41           3HE      TRP  41  -6.619  -1.196  -4.341
  272    HZ2  TRP  41           2HZ      TRP  41 -11.532  -1.227  -5.188
  273    HZ3  TRP  41           3HZ      TRP  41  -8.174  -2.284  -2.778
  274    HH2  TRP  41           HH       TRP  41 -10.578  -2.297  -3.194
  275    H    TRP  42           H        TRP  42  -3.909   1.530  -4.603
  276    HA   TRP  42           HA       TRP  42  -1.698   1.911  -6.506
  277   1HB   TRP  42          2HB       TRP  42  -1.995   2.824  -3.646
  278    HD1  TRP  42           HD       TRP  42  -2.636   3.802  -7.016
  279    HE1  TRP  42           1HE      TRP  42  -2.446   6.326  -7.388
  280    HE3  TRP  42           3HE      TRP  42  -0.165   5.049  -2.746
  281    HZ2  TRP  42           2HZ      TRP  42  -1.399   8.566  -6.030
  282    HZ3  TRP  42           3HZ      TRP  42   0.400   7.411  -2.352
  283    HH2  TRP  42           HH       TRP  42  -0.209   9.133  -3.963
  284    H    LYS  43           H        LYS  43  -0.446   0.204  -6.789
  285    HA   LYS  43           HA       LYS  43  -0.769  -2.124  -5.108
  286   1HB   LYS  43          2HB       LYS  43  -0.490  -2.374  -7.548
  287   1HG   LYS  43          2HG       LYS  43   1.887  -3.511  -6.076
  288   1HD   LYS  43          2HD       LYS  43   2.128  -5.047  -7.793
  289   1HE   LYS  43          2HE       LYS  43   1.023  -2.654  -9.259
  290   1HZ   LYS  43          1HZ       LYS  43   2.880  -4.752 -10.242
  291   2HZ   LYS  43          2HZ       LYS  43   2.294  -3.425 -11.120
  292   3HZ   LYS  43          3HZ       LYS  43   1.234  -4.657 -10.645
  293    H    VAL  44           H        VAL  44   0.343  -2.449  -3.322
  294    HA   VAL  44           HA       VAL  44   2.945  -1.104  -3.036
  295    HB   VAL  44           HB       VAL  44   2.390  -0.706  -0.642
  296   1HG1  VAL  44          1HG1      VAL  44   0.572   0.614  -2.654
  297   2HG1  VAL  44          2HG1      VAL  44   0.915   1.229  -1.037
  298   3HG1  VAL  44          3HG1      VAL  44   2.209   1.115  -2.229
  299   1HG2  VAL  44          1HG2      VAL  44   0.021  -0.769   0.040
  300   2HG2  VAL  44          2HG2      VAL  44  -0.387  -1.516  -1.505
  301   3HG2  VAL  44          3HG2      VAL  44   0.648  -2.370  -0.358
  302    H    GLU  45           H        GLU  45   4.131  -1.926  -1.107
  303    HA   GLU  45           HA       GLU  45   3.733  -4.818  -0.731
  304   1HB   GLU  45          2HB       GLU  45   5.674  -4.466  -2.151
  305   1HG   GLU  45          2HG       GLU  45   6.488  -5.045   0.684
  306    H    VAL  46           H        VAL  46   3.382  -5.350   1.324
  307    HA   VAL  46           HA       VAL  46   4.526  -3.641   3.440
  308    HB   VAL  46           HB       VAL  46   3.000  -5.660   4.649
  309   1HG1  VAL  46          1HG1      VAL  46   1.684  -3.829   5.493
  310   2HG1  VAL  46          2HG1      VAL  46   3.396  -3.392   5.455
  311   3HG1  VAL  46          3HG1      VAL  46   2.295  -2.766   4.221
  312   1HG2  VAL  46          1HG2      VAL  46   1.485  -4.382   2.387
  313   2HG2  VAL  46          2HG2      VAL  46   1.889  -6.093   2.560
  314   3HG2  VAL  46          3HG2      VAL  46   0.774  -5.331   3.694
  315    H    ASN  47           H        ASN  47   6.414  -4.326   4.021
  316    HA   ASN  47           HA       ASN  47   8.187  -5.524   4.615
  317   1HB   ASN  47          2HB       ASN  47   7.892  -7.489   5.996
  318   1HD2  ASN  47          1HD2      ASN  47   4.643  -6.610   6.525
  319   2HD2  ASN  47          2HD2      ASN  47   3.938  -8.146   6.127
  320    H    ASP  48           H        ASP  48   5.981  -7.841   3.165
  321    HA   ASP  48           HA       ASP  48   7.964  -8.454   1.105
  322   1HB   ASP  48          2HB       ASP  48   8.433 -10.079   2.923
  323    H    ARG  49           H        ARG  49   4.764  -8.080   2.132
  324    HA   ARG  49           HA       ARG  49   3.635  -9.864   0.126
  325   1HB   ARG  49          2HB       ARG  49   2.313  -8.181   2.258
  326   1HG   ARG  49          2HG       ARG  49   3.502 -10.145   3.164
  327   1HD   ARG  49          2HD       ARG  49   2.478 -12.384   2.667
  328    HE   ARG  49           HE       ARG  49   4.643 -11.573   1.562
  329   1HH1  ARG  49          2HH1      ARG  49   1.783 -12.564  -0.197
  330   2HH1  ARG  49          1HH1      ARG  49   2.672 -13.122  -1.580
  331   1HH2  ARG  49          2HH2      ARG  49   5.823 -12.276  -0.262
  332   2HH2  ARG  49          1HH2      ARG  49   4.969 -12.951  -1.630
  333    H    GLN  50           H        GLN  50   3.120  -9.210  -1.813
  334    HA   GLN  50           HA       GLN  50   2.924  -6.346  -2.390
  335   1HB   GLN  50          2HB       GLN  50   3.219  -8.764  -4.179
  336   1HG   GLN  50          2HG       GLN  50   5.063  -6.438  -3.702
  337   1HE2  GLN  50          1HE2      GLN  50   3.859  -7.274  -6.249
  338   2HE2  GLN  50          2HE2      GLN  50   5.192  -7.755  -7.254
  339    H    GLY  51           H        GLY  51   0.992  -5.413  -2.752
  340   1HA   GLY  51          1HA       GLY  51  -1.129  -6.787  -4.072
  341   2HA   GLY  51          2HA       GLY  51  -1.435  -6.664  -2.347
  342    H    PHE  52           H        PHE  52  -3.100  -5.529  -4.209
  343    HA   PHE  52           HA       PHE  52  -2.491  -2.708  -4.415
  344   1HB   PHE  52          2HB       PHE  52  -4.845  -4.404  -5.236
  345    HD1  PHE  52           1HD      PHE  52  -3.544  -1.480  -6.990
  346    HD2  PHE  52           2HD      PHE  52  -3.447  -5.726  -6.689
  347    HE1  PHE  52           1HE      PHE  52  -2.450  -1.616  -9.199
  348    HE2  PHE  52           2HE      PHE  52  -2.356  -5.863  -8.885
  349    HZ   PHE  52           HZ       PHE  52  -1.859  -3.807 -10.141
  350    H    VAL  53           H        VAL  53  -3.440  -1.071  -3.331
  351    HA   VAL  53           HA       VAL  53  -5.574  -1.655  -1.414
  352    HB   VAL  53           HB       VAL  53  -4.559  -0.218   0.282
  353   1HG1  VAL  53          1HG1      VAL  53  -2.724  -1.678   0.983
  354   2HG1  VAL  53          2HG1      VAL  53  -4.109  -2.603   0.401
  355   3HG1  VAL  53          3HG1      VAL  53  -2.693  -2.396  -0.629
  356   1HG2  VAL  53          1HG2      VAL  53  -2.220   0.528   0.055
  357   2HG2  VAL  53          2HG2      VAL  53  -2.215  -0.055  -1.610
  358   3HG2  VAL  53          3HG2      VAL  53  -3.288   1.267  -1.140
  359    HA   PRO  54           HA       PRO  54  -7.485   2.075  -2.936
  360   1HB   PRO  54          2HB       PRO  54  -7.813   2.884  -0.099
  361   1HG   PRO  54          2HG       PRO  54  -8.813   0.912   0.596
  362   1HD   PRO  54          2HD       PRO  54  -6.609   0.254   0.438
  363    H    ALA  55           H        ALA  55  -6.399   3.782  -3.711
  364    HA   ALA  55           HA       ALA  55  -4.029   4.825  -2.599
  365   1HB   ALA  55          1HB       ALA  55  -4.334   6.672  -4.208
  366   2HB   ALA  55          2HB       ALA  55  -4.535   5.082  -4.948
  367   3HB   ALA  55          3HB       ALA  55  -5.951   6.064  -4.564
  368    H    ALA  56           H        ALA  56  -7.369   5.493  -1.985
  369    HA   ALA  56           HA       ALA  56  -6.991   8.056  -0.755
  370   1HB   ALA  56          1HB       ALA  56  -9.360   6.202  -0.531
  371   2HB   ALA  56          2HB       ALA  56  -9.324   7.930  -0.179
  372   3HB   ALA  56          3HB       ALA  56  -9.113   7.364  -1.837
  373    H    TYR  57           H        TYR  57  -6.195   4.996   0.224
  374    HA   TYR  57           HA       TYR  57  -6.701   5.555   3.078
  375   1HB   TYR  57          2HB       TYR  57  -6.198   3.014   1.554
  376    HD1  TYR  57           1HD      TYR  57  -7.552   1.970   4.424
  377    HD2  TYR  57           2HD      TYR  57  -8.650   4.405   1.107
  378    HE1  TYR  57           1HE      TYR  57  -9.921   1.467   4.841
  379    HE2  TYR  57           2HE      TYR  57 -11.018   3.917   1.522
  380    HH   TYR  57           HH       TYR  57 -12.108   2.379   4.388
  381    H    VAL  58           H        VAL  58  -4.405   6.109   0.886
  382    HA   VAL  58           HA       VAL  58  -2.215   5.608   2.760
  383    HB   VAL  58           HB       VAL  58  -2.694   4.148   0.402
  384   1HG1  VAL  58          1HG1      VAL  58  -0.296   5.928   0.116
  385   2HG1  VAL  58          2HG1      VAL  58  -0.591   4.472  -0.833
  386   3HG1  VAL  58          3HG1      VAL  58  -1.696   5.840  -0.954
  387   1HG2  VAL  58          1HG2      VAL  58  -0.232   4.263   2.123
  388   2HG2  VAL  58          2HG2      VAL  58  -1.682   3.312   2.447
  389   3HG2  VAL  58          3HG2      VAL  58  -0.687   2.950   1.037
  390    H    LYS  59           H        LYS  59  -0.507   7.060   2.653
  391    HA   LYS  59           HA       LYS  59  -1.010   9.469   1.019
  392   1HB   LYS  59          2HB       LYS  59  -1.603   9.894   3.347
  393   1HG   LYS  59          2HG       LYS  59   0.905  11.187   2.369
  394   1HD   LYS  59          2HD       LYS  59   0.569  12.862   4.208
  395   1HE   LYS  59          2HE       LYS  59   1.316  10.096   5.165
  396   1HZ   LYS  59          1HZ       LYS  59   1.199  11.715   6.935
  397   2HZ   LYS  59          2HZ       LYS  59   2.155  12.804   6.058
  398   3HZ   LYS  59          3HZ       LYS  59   2.827  11.352   6.617
  399    H    LYS  60           H        LYS  60   0.660  10.092  -0.212
  400    HA   LYS  60           HA       LYS  60   3.252   9.039  -0.214
  401   1HB   LYS  60          2HB       LYS  60   1.953  11.335  -1.423
  402   1HG   LYS  60          2HG       LYS  60   3.741  11.244  -3.100
  403   1HD   LYS  60          2HD       LYS  60   2.721   8.475  -2.550
  404   1HE   LYS  60          2HE       LYS  60   4.230   8.636  -4.437
  405   1HZ   LYS  60          1HZ       LYS  60   3.890  10.155  -6.220
  406   2HZ   LYS  60          2HZ       LYS  60   4.017  11.046  -4.784
  407   3HZ   LYS  60          3HZ       LYS  60   2.495  10.796  -5.493
  408    H    LEU  61           H        LEU  61   4.762   9.120   1.393
  409    HA   LEU  61           HA       LEU  61   4.488  10.971   3.559
  410   1HB   LEU  61          2HB       LEU  61   6.744   9.113   2.799
  411    HG   LEU  61           HG       LEU  61   4.636   7.975   3.545
  412   1HD1  LEU  61          1HD1      LEU  61   6.782   6.910   3.864
  413   2HD1  LEU  61          2HD1      LEU  61   7.005   7.776   5.383
  414   3HD1  LEU  61          3HD1      LEU  61   5.721   6.580   5.233
  415   1HD2  LEU  61          1HD2      LEU  61   3.658   9.481   5.067
  416   2HD2  LEU  61          2HD2      LEU  61   4.212   8.127   6.044
  417   3HD2  LEU  61          3HD2      LEU  61   5.146   9.625   6.007
  418    H    ASP  62           H        ASP  62   6.144  10.866   0.566
  419    HA   ASP  62           HA       ASP  62   6.218  13.581   0.216
  420   1HB   ASP  62          2HB       ASP  62   7.962  13.633   1.983
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1  18.839  -2.310  -4.661
    2   2H    MET   1          2H        MET   1  20.426  -1.713  -4.676
    3   3H    MET   1          3H        MET   1  19.546  -1.739  -3.228
    4    HA   MET   1           HA       MET   1  20.408  -4.112  -4.771
    5   1HB   MET   1          2HB       MET   1  21.427  -2.950  -2.163
    6   1HG   MET   1          2HG       MET   1  22.879  -3.539  -4.729
    7   1HE   MET   1          1HE       MET   1  25.443  -4.704  -2.001
    8   2HE   MET   1          2HE       MET   1  23.703  -4.992  -2.013
    9   3HE   MET   1          3HE       MET   1  24.629  -5.125  -3.508
   10    H    ASP   2           H        ASP   2  17.862  -2.951  -3.183
   11    HA   ASP   2           HA       ASP   2  17.068  -5.557  -2.209
   12   1HB   ASP   2          2HB       ASP   2  16.325  -4.611   0.008
   13    H    GLU   3           H        GLU   3  14.723  -4.975  -0.999
   14    HA   GLU   3           HA       GLU   3  13.289  -3.386  -3.024
   15   1HB   GLU   3          2HB       GLU   3  11.516  -5.017  -3.097
   16   1HG   GLU   3          2HG       GLU   3  11.521  -5.765  -0.742
   17    H    THR   4           H        THR   4  10.783  -3.632  -1.934
   18    HA   THR   4           HA       THR   4   9.478  -2.188  -0.768
   19    HB   THR   4           HB       THR   4   9.632  -4.217   0.697
   20    HG1  THR   4           1HG      THR   4   9.295  -2.068   2.462
   21   1HG2  THR   4          1HG2      THR   4  11.529  -2.514   2.313
   22   2HG2  THR   4          2HG2      THR   4  11.935  -4.011   1.472
   23   3HG2  THR   4          3HG2      THR   4  10.815  -4.040   2.835
   24    H    GLY   5           H        GLY   5  11.719  -0.872  -1.730
   25   1HA   GLY   5          1HA       GLY   5  11.930   1.264   0.262
   26   2HA   GLY   5          2HA       GLY   5  13.411   0.598  -0.409
   27    H    LYS   6           H        LYS   6  10.296   1.429  -1.919
   28    HA   LYS   6           HA       LYS   6  11.551   3.669  -3.258
   29   1HB   LYS   6          2HB       LYS   6  10.774   3.015  -5.509
   30   1HG   LYS   6          2HG       LYS   6   9.118   1.224  -4.607
   31   1HD   LYS   6          2HD       LYS   6  10.873  -0.122  -3.482
   32   1HE   LYS   6          2HE       LYS   6  12.664   0.216  -5.126
   33   1HZ   LYS   6          1HZ       LYS   6  12.632  -1.116  -7.166
   34   2HZ   LYS   6          2HZ       LYS   6  11.424   0.073  -7.168
   35   3HZ   LYS   6          3HZ       LYS   6  11.016  -1.545  -6.862
   36    H    GLU   7           H        GLU   7  10.267   5.294  -2.970
   37    HA   GLU   7           HA       GLU   7   8.419   6.630  -2.617
   38   1HB   GLU   7          2HB       GLU   7   7.098   4.548  -4.367
   39   1HG   GLU   7          2HG       GLU   7   8.300   7.229  -4.955
   40    H    LEU   8           H        LEU   8   8.318   6.309  -0.417
   41    HA   LEU   8           HA       LEU   8   6.715   4.091   0.546
   42   1HB   LEU   8          2HB       LEU   8   8.248   6.209   2.037
   43    HG   LEU   8           HG       LEU   8   9.650   4.565   0.866
   44   1HD1  LEU   8          1HD1      LEU   8  10.969   3.849   2.805
   45   2HD1  LEU   8          2HD1      LEU   8  10.440   5.523   2.964
   46   3HD1  LEU   8          3HD1      LEU   8   9.619   4.247   3.865
   47   1HD2  LEU   8          1HD2      LEU   8   8.208   2.676   0.735
   48   2HD2  LEU   8          2HD2      LEU   8   9.628   2.214   1.669
   49   3HD2  LEU   8          3HD2      LEU   8   8.109   2.564   2.495
   50    H    VAL   9           H        VAL   9   4.911   4.239   1.659
   51    HA   VAL   9           HA       VAL   9   3.561   6.856   1.760
   52    HB   VAL   9           HB       VAL   9   1.398   5.599   1.264
   53   1HG1  VAL   9          1HG1      VAL   9   2.568   7.167  -0.285
   54   2HG1  VAL   9          2HG1      VAL   9   3.344   5.763  -1.025
   55   3HG1  VAL   9          3HG1      VAL   9   1.587   5.933  -1.076
   56   1HG2  VAL   9          1HG2      VAL   9   2.229   3.340   1.502
   57   2HG2  VAL   9          2HG2      VAL   9   1.618   3.598  -0.131
   58   3HG2  VAL   9          3HG2      VAL   9   3.356   3.592   0.169
   59    H    LEU  10           H        LEU  10   1.888   7.026   3.292
   60    HA   LEU  10           HA       LEU  10   2.299   5.294   5.626
   61   1HB   LEU  10          2HB       LEU  10   2.654   7.671   6.000
   62    HG   LEU  10           HG       LEU  10   0.130   6.637   7.262
   63   1HD1  LEU  10          1HD1      LEU  10   2.929   7.084   8.277
   64   2HD1  LEU  10          2HD1      LEU  10   1.564   6.566   9.266
   65   3HD1  LEU  10          3HD1      LEU  10   2.148   5.536   7.959
   66   1HD2  LEU  10          1HD2      LEU  10  -0.107   9.038   7.132
   67   2HD2  LEU  10          2HD2      LEU  10   0.236   8.552   8.794
   68   3HD2  LEU  10          3HD2      LEU  10   1.511   9.261   7.803
   69    H    ALA  11           H        ALA  11   0.655   4.030   6.396
   70    HA   ALA  11           HA       ALA  11  -1.805   3.955   4.879
   71   1HB   ALA  11          1HB       ALA  11  -2.338   1.990   6.060
   72   2HB   ALA  11          2HB       ALA  11  -0.595   1.919   5.823
   73   3HB   ALA  11          3HB       ALA  11  -1.255   2.389   7.396
   74    H    LEU  12           H        LEU  12  -3.360   5.389   5.307
   75    HA   LEU  12           HA       LEU  12  -3.533   6.748   7.821
   76   1HB   LEU  12          2HB       LEU  12  -5.175   6.796   5.307
   77    HG   LEU  12           HG       LEU  12  -3.504   8.891   6.682
   78   1HD1  LEU  12          1HD1      LEU  12  -3.240   7.606   3.984
   79   2HD1  LEU  12          2HD1      LEU  12  -2.213   8.888   4.632
   80   3HD1  LEU  12          3HD1      LEU  12  -2.221   7.296   5.392
   81   1HD2  LEU  12          1HD2      LEU  12  -5.553   9.891   5.815
   82   2HD2  LEU  12          2HD2      LEU  12  -4.160  10.378   4.846
   83   3HD2  LEU  12          3HD2      LEU  12  -5.262   9.139   4.245
   84    H    TYR  13           H        TYR  13  -5.244   4.092   6.286
   85    HA   TYR  13           HA       TYR  13  -6.831   3.816   8.743
   86   1HB   TYR  13          2HB       TYR  13  -8.052   3.234   6.055
   87    HD1  TYR  13           1HD      TYR  13  -8.681   5.883   8.588
   88    HD2  TYR  13           2HD      TYR  13  -7.833   4.987   4.518
   89    HE1  TYR  13           1HE      TYR  13  -9.054   8.241   8.001
   90    HE2  TYR  13           2HE      TYR  13  -8.198   7.342   3.915
   91    HH   TYR  13           HH       TYR  13  -9.472   9.293   4.821
   92    H    ASP  14           H        ASP  14  -7.846   1.640   8.892
   93    HA   ASP  14           HA       ASP  14  -5.968  -0.419   8.116
   94   1HB   ASP  14          2HB       ASP  14  -6.964  -0.433  10.386
   95    H    TYR  15           H        TYR  15  -6.233  -1.760   6.470
   96    HA   TYR  15           HA       TYR  15  -8.840  -1.826   5.117
   97   1HB   TYR  15          2HB       TYR  15  -7.354  -0.325   3.844
   98    HD1  TYR  15           1HD      TYR  15  -6.178  -2.984   1.879
   99    HD2  TYR  15           2HD      TYR  15  -9.744  -0.913   2.910
  100    HE1  TYR  15           1HE      TYR  15  -7.228  -3.781  -0.185
  101    HE2  TYR  15           2HE      TYR  15 -10.815  -1.709   0.842
  102    HH   TYR  15           HH       TYR  15  -9.926  -2.507  -1.509
  103    H    GLN  16           H        GLN  16  -9.410  -3.783   4.241
  104    HA   GLN  16           HA       GLN  16  -7.641  -6.042   4.932
  105   1HB   GLN  16          2HB       GLN  16  -9.738  -6.041   6.200
  106   1HG   GLN  16          2HG       GLN  16 -10.806  -8.159   5.399
  107   1HE2  GLN  16          1HE2      GLN  16  -8.871  -7.097   7.293
  108   2HE2  GLN  16          2HE2      GLN  16  -7.779  -8.399   7.621
  109    H    GLU  17           H        GLU  17  -7.001  -7.346   3.337
  110    HA   GLU  17           HA       GLU  17  -7.471  -6.661   0.617
  111   1HB   GLU  17          2HB       GLU  17  -6.082  -8.627   0.139
  112   1HG   GLU  17          2HG       GLU  17  -6.462  -9.213   3.055
  113    H    LYS  18           H        LYS  18  -8.613  -7.849  -0.999
  114    HA   LYS  18           HA       LYS  18 -10.734  -9.559   0.113
  115   1HB   LYS  18          2HB       LYS  18 -12.228  -8.782  -1.467
  116   1HG   LYS  18          2HG       LYS  18 -10.005  -7.564  -3.110
  117   1HD   LYS  18          2HD       LYS  18 -11.898  -7.084  -4.668
  118   1HE   LYS  18          2HE       LYS  18 -11.972  -5.746  -1.962
  119   1HZ   LYS  18          1HZ       LYS  18 -12.858  -4.698  -4.595
  120   2HZ   LYS  18          2HZ       LYS  18 -12.864  -3.858  -3.126
  121   3HZ   LYS  18          3HZ       LYS  18 -13.898  -5.181  -3.347
  122    H    SER  19           H        SER  19  -7.933  -9.803  -1.300
  123    HA   SER  19           HA       SER  19  -8.069 -12.513  -1.846
  124   1HB   SER  19          2HB       SER  19  -7.895 -12.624  -4.280
  125    HG   SER  19           HG       SER  19  -7.993  -9.796  -4.100
  126    HA   PRO  20           HA       PRO  20  -3.639 -12.013  -1.736
  127   1HB   PRO  20          2HB       PRO  20  -3.371 -13.524  -4.287
  128   1HG   PRO  20          2HG       PRO  20  -4.605 -15.358  -3.523
  129   1HD   PRO  20          2HD       PRO  20  -6.147 -13.725  -4.168
  130    H    ALA  21           H        ALA  21  -5.391 -10.802  -4.384
  131    HA   ALA  21           HA       ALA  21  -3.131  -9.524  -5.679
  132   1HB   ALA  21          1HB       ALA  21  -4.831  -8.398  -7.064
  133   2HB   ALA  21          2HB       ALA  21  -5.012 -10.157  -7.064
  134   3HB   ALA  21          3HB       ALA  21  -6.096  -9.159  -6.094
  135    H    GLU  22           H        GLU  22  -5.381  -8.866  -3.167
  136    HA   GLU  22           HA       GLU  22  -4.483  -6.071  -2.977
  137   1HB   GLU  22          2HB       GLU  22  -6.733  -7.533  -1.571
  138   1HG   GLU  22          2HG       GLU  22  -8.178  -5.812  -2.579
  139    H    VAL  23           H        VAL  23  -3.827  -5.330  -0.754
  140    HA   VAL  23           HA       VAL  23  -2.999  -7.597   0.928
  141    HB   VAL  23           HB       VAL  23  -1.012  -6.192   1.666
  142   1HG1  VAL  23          1HG1      VAL  23  -0.776  -8.199   0.346
  143   2HG1  VAL  23          2HG1      VAL  23  -1.079  -7.287  -1.136
  144   3HG1  VAL  23          3HG1      VAL  23   0.377  -6.976  -0.187
  145   1HG2  VAL  23          1HG2      VAL  23  -1.674  -4.070   0.695
  146   2HG2  VAL  23          2HG2      VAL  23  -0.135  -4.602   0.017
  147   3HG2  VAL  23          3HG2      VAL  23  -1.618  -4.771  -0.922
  148    H    THR  24           H        THR  24  -3.150  -7.372   3.074
  149    HA   THR  24           HA       THR  24  -4.972  -5.353   4.016
  150    HB   THR  24           HB       THR  24  -3.538  -7.541   5.524
  151    HG1  THR  24           1HG      THR  24  -4.888  -8.455   3.996
  152   1HG2  THR  24          1HG2      THR  24  -4.376  -5.665   6.931
  153   2HG2  THR  24          2HG2      THR  24  -5.151  -7.209   7.270
  154   3HG2  THR  24          3HG2      THR  24  -5.999  -5.989   6.318
  155    H    MET  25           H        MET  25  -4.454  -3.514   5.046
  156    HA   MET  25           HA       MET  25  -1.716  -3.229   6.076
  157   1HB   MET  25          2HB       MET  25  -1.632  -0.920   5.343
  158   1HG   MET  25          2HG       MET  25  -4.218  -1.306   3.860
  159   1HE   MET  25          1HE       MET  25  -1.673   1.192   1.959
  160   2HE   MET  25          2HE       MET  25  -1.210  -0.203   2.930
  161   3HE   MET  25          3HE       MET  25  -2.549  -0.328   1.787
  162    H    LYS  26           H        LYS  26  -1.484  -1.829   7.857
  163    HA   LYS  26           HA       LYS  26  -4.004  -1.300   9.296
  164   1HB   LYS  26          2HB       LYS  26  -1.385  -2.363  10.356
  165   1HG   LYS  26          2HG       LYS  26  -2.796  -3.812  11.705
  166   1HD   LYS  26          2HD       LYS  26  -3.601  -3.878   8.802
  167   1HE   LYS  26          2HE       LYS  26  -4.042  -6.214   9.126
  168   1HZ   LYS  26          1HZ       LYS  26  -6.009  -6.077  10.273
  169   2HZ   LYS  26          2HZ       LYS  26  -5.731  -4.430   9.947
  170   3HZ   LYS  26          3HZ       LYS  26  -5.374  -5.066  11.477
  171    H    LYS  27           H        LYS  27  -4.218   0.646  10.308
  172    HA   LYS  27           HA       LYS  27  -2.986   2.924   9.389
  173   1HB   LYS  27          2HB       LYS  27  -4.956   3.288  10.582
  174   1HG   LYS  27          2HG       LYS  27  -4.452   4.366  12.817
  175   1HD   LYS  27          2HD       LYS  27  -2.866   5.348  10.449
  176   1HE   LYS  27          2HE       LYS  27  -3.904   6.676  12.939
  177   1HZ   LYS  27          1HZ       LYS  27  -2.966   8.732  11.874
  178   2HZ   LYS  27          2HZ       LYS  27  -4.436   8.188  11.237
  179   3HZ   LYS  27          3HZ       LYS  27  -2.993   7.901  10.396
  180    H    GLY  28           H        GLY  28  -0.995   3.667   9.545
  181   1HA   GLY  28          1HA       GLY  28   0.883   4.431  10.772
  182   2HA   GLY  28          2HA       GLY  28   0.502   3.265  12.034
  183    H    ASP  29           H        ASP  29   0.362   1.962   8.893
  184    HA   ASP  29           HA       ASP  29   2.954   0.665   9.302
  185   1HB   ASP  29          2HB       ASP  29   0.532  -0.399   8.546
  186    H    ILE  30           H        ILE  30   4.488   0.580   7.585
  187    HA   ILE  30           HA       ILE  30   4.262   2.869   5.763
  188    HB   ILE  30           HB       ILE  30   6.659   1.458   6.924
  189   1HG1  ILE  30          2HG1      ILE  30   7.369   3.755   7.471
  190   1HG2  ILE  30          1HG2      ILE  30   7.072   1.587   4.524
  191   2HG2  ILE  30          2HG2      ILE  30   6.707   3.312   4.545
  192   3HG2  ILE  30          3HG2      ILE  30   8.120   2.700   5.405
  193   1HD1  ILE  30          1HD1      ILE  30   5.713   4.385   9.117
  194   2HD1  ILE  30          2HD1      ILE  30   4.549   3.270   8.396
  195   3HD1  ILE  30          3HD1      ILE  30   6.015   2.648   9.158
  196    H    LEU  31           H        LEU  31   3.670   2.421   3.808
  197    HA   LEU  31           HA       LEU  31   4.115  -0.272   2.739
  198   1HB   LEU  31          2HB       LEU  31   2.120   1.882   2.182
  199    HG   LEU  31           HG       LEU  31   0.466   0.140   2.217
  200   1HD1  LEU  31          1HD1      LEU  31   2.768  -1.763   2.549
  201   2HD1  LEU  31          2HD1      LEU  31   1.060  -2.188   2.657
  202   3HD1  LEU  31          3HD1      LEU  31   1.725  -1.600   1.135
  203   1HD2  LEU  31          1HD2      LEU  31   0.639  -0.627   4.525
  204   2HD2  LEU  31          2HD2      LEU  31   2.345  -0.181   4.555
  205   3HD2  LEU  31          3HD2      LEU  31   1.112   1.068   4.384
  206    H    THR  32           H        THR  32   5.011  -0.576   0.718
  207    HA   THR  32           HA       THR  32   6.512   1.716  -0.343
  208    HB   THR  32           HB       THR  32   7.050  -1.230  -0.760
  209    HG1  THR  32           1HG      THR  32   8.176  -1.120   1.033
  210   1HG2  THR  32          1HG2      THR  32   7.876   0.067  -2.610
  211   2HG2  THR  32          2HG2      THR  32   9.249  -0.378  -1.590
  212   3HG2  THR  32          3HG2      THR  32   8.591   1.263  -1.514
  213    H    LEU  33           H        LEU  33   5.966   2.486  -2.272
  214    HA   LEU  33           HA       LEU  33   3.769   1.386  -3.689
  215   1HB   LEU  33          2HB       LEU  33   5.645   3.646  -4.211
  216    HG   LEU  33           HG       LEU  33   3.777   3.936  -2.573
  217   1HD1  LEU  33          1HD1      LEU  33   3.203   6.095  -3.381
  218   2HD1  LEU  33          2HD1      LEU  33   4.856   5.758  -3.916
  219   3HD1  LEU  33          3HD1      LEU  33   3.512   5.614  -5.053
  220   1HD2  LEU  33          1HD2      LEU  33   2.095   3.597  -5.054
  221   2HD2  LEU  33          2HD2      LEU  33   2.117   2.527  -3.653
  222   3HD2  LEU  33          3HD2      LEU  33   1.513   4.176  -3.494
  223    H    LEU  34           H        LEU  34   3.661   0.188  -5.404
  224    HA   LEU  34           HA       LEU  34   6.147  -0.661  -6.728
  225   1HB   LEU  34          2HB       LEU  34   3.523  -2.141  -6.685
  226    HG   LEU  34           HG       LEU  34   4.264  -2.057  -4.361
  227   1HD1  LEU  34          1HD1      LEU  34   4.320  -4.417  -3.960
  228   2HD1  LEU  34          2HD1      LEU  34   3.242  -4.092  -5.320
  229   3HD1  LEU  34          3HD1      LEU  34   4.863  -4.727  -5.610
  230   1HD2  LEU  34          1HD2      LEU  34   6.610  -1.592  -4.578
  231   2HD2  LEU  34          2HD2      LEU  34   6.434  -3.140  -3.751
  232   3HD2  LEU  34          3HD2      LEU  34   6.877  -3.101  -5.459
  233    H    ASN  35           H        ASN  35   2.698  -0.042  -7.175
  234    HA   ASN  35           HA       ASN  35   3.249   1.221  -9.750
  235   1HB   ASN  35          2HB       ASN  35   2.537  -1.132 -10.198
  236   1HD2  ASN  35          1HD2      ASN  35   1.499  -1.613 -12.103
  237   2HD2  ASN  35          2HD2      ASN  35   0.780  -0.389 -13.099
  238    H    SER  36           H        SER  36   2.420   3.198  -9.628
  239    HA   SER  36           HA       SER  36  -0.071   3.596  -8.136
  240   1HB   SER  36          2HB       SER  36   0.971   5.832  -7.421
  241    HG   SER  36           HG       SER  36   3.090   6.095  -7.651
  242    H    THR  37           H        THR  37   0.522   3.313 -11.032
  243    HA   THR  37           HA       THR  37   0.260   5.952 -12.151
  244    HB   THR  37           HB       THR  37   1.277   3.961 -13.358
  245    HG1  THR  37           1HG      THR  37   0.628   5.961 -14.382
  246   1HG2  THR  37          1HG2      THR  37  -0.442   2.289 -12.951
  247   2HG2  THR  37          2HG2      THR  37  -0.267   2.570 -14.681
  248   3HG2  THR  37          3HG2      THR  37  -1.628   3.272 -13.810
  249    H    ASN  38           H        ASN  38  -1.800   3.814 -10.625
  250    HA   ASN  38           HA       ASN  38  -4.250   4.767 -11.888
  251   1HB   ASN  38          2HB       ASN  38  -3.887   2.354 -11.184
  252   1HD2  ASN  38          1HD2      ASN  38  -5.655   1.010 -10.834
  253   2HD2  ASN  38          2HD2      ASN  38  -7.257   1.638 -10.659
  254    H    LYS  39           H        LYS  39  -5.804   6.019 -10.628
  255    HA   LYS  39           HA       LYS  39  -4.421   7.548  -8.542
  256   1HB   LYS  39          2HB       LYS  39  -6.089   9.297  -8.876
  257   1HG   LYS  39          2HG       LYS  39  -7.138   7.861 -11.280
  258   1HD   LYS  39          2HD       LYS  39  -8.925   9.486 -11.095
  259   1HE   LYS  39          2HE       LYS  39  -6.183  10.713 -10.896
  260   1HZ   LYS  39          1HZ       LYS  39  -7.181  12.619 -12.009
  261   2HZ   LYS  39          2HZ       LYS  39  -7.843  12.397 -10.466
  262   3HZ   LYS  39          3HZ       LYS  39  -8.722  11.933 -11.842
  263    H    ASP  40           H        ASP  40  -6.632   5.087  -8.774
  264    HA   ASP  40           HA       ASP  40  -7.906   5.899  -6.243
  265   1HB   ASP  40          2HB       ASP  40  -9.518   5.737  -8.075
  266    H    TRP  41           H        TRP  41  -6.120   3.411  -7.892
  267    HA   TRP  41           HA       TRP  41  -5.965   1.948  -5.347
  268   1HB   TRP  41          2HB       TRP  41  -6.074   0.739  -8.121
  269    HD1  TRP  41           HD       TRP  41  -8.588   1.537  -8.525
  270    HE1  TRP  41           1HE      TRP  41 -10.821   0.783  -7.490
  271    HE3  TRP  41           3HE      TRP  41  -6.795  -1.004  -4.456
  272    HZ2  TRP  41           2HZ      TRP  41 -11.701  -0.695  -5.250
  273    HZ3  TRP  41           3HZ      TRP  41  -8.394  -2.048  -2.921
  274    HH2  TRP  41           HH       TRP  41 -10.800  -1.898  -3.309
  275    H    TRP  42           H        TRP  42  -3.972   1.664  -4.606
  276    HA   TRP  42           HA       TRP  42  -1.736   2.050  -6.480
  277   1HB   TRP  42          2HB       TRP  42  -2.083   3.008  -3.646
  278    HD1  TRP  42           HD       TRP  42  -2.633   3.895  -7.007
  279    HE1  TRP  42           1HE      TRP  42  -2.308   6.382  -7.492
  280    HE3  TRP  42           3HE      TRP  42  -0.042   5.223  -2.803
  281    HZ2  TRP  42           2HZ      TRP  42  -1.120   8.613  -6.274
  282    HZ3  TRP  42           3HZ      TRP  42   0.671   7.579  -2.558
  283    HH2  TRP  42           HH       TRP  42   0.129   9.229  -4.257
  284    H    LYS  43           H        LYS  43  -0.497   0.365  -6.761
  285    HA   LYS  43           HA       LYS  43  -0.834  -2.010  -5.147
  286   1HB   LYS  43          2HB       LYS  43  -0.519  -2.033  -7.648
  287   1HG   LYS  43          2HG       LYS  43   1.577  -3.543  -6.090
  288   1HD   LYS  43          2HD       LYS  43   0.549  -3.812  -8.901
  289   1HE   LYS  43          2HE       LYS  43   0.435  -6.033  -8.066
  290   1HZ   LYS  43          1HZ       LYS  43   1.783  -5.679  -6.044
  291   2HZ   LYS  43          2HZ       LYS  43   3.185  -5.723  -6.997
  292   3HZ   LYS  43          3HZ       LYS  43   2.188  -7.091  -6.882
  293    H    VAL  44           H        VAL  44   0.314  -2.409  -3.373
  294    HA   VAL  44           HA       VAL  44   2.969  -1.174  -3.092
  295    HB   VAL  44           HB       VAL  44   2.408  -0.741  -0.664
  296   1HG1  VAL  44          1HG1      VAL  44   2.511   1.090  -2.262
  297   2HG1  VAL  44          2HG1      VAL  44   0.841   0.786  -2.745
  298   3HG1  VAL  44          3HG1      VAL  44   1.197   1.356  -1.115
  299   1HG2  VAL  44          1HG2      VAL  44   0.040  -0.531  -0.068
  300   2HG2  VAL  44          2HG2      VAL  44  -0.415  -1.168  -1.647
  301   3HG2  VAL  44          3HG2      VAL  44   0.453  -2.190  -0.500
  302    H    GLU  45           H        GLU  45   4.180  -2.117  -1.217
  303    HA   GLU  45           HA       GLU  45   3.532  -4.974  -0.863
  304   1HB   GLU  45          2HB       GLU  45   5.526  -4.632  -2.266
  305   1HG   GLU  45          2HG       GLU  45   6.325  -5.575   0.479
  306    H    VAL  46           H        VAL  46   3.150  -5.591   1.169
  307    HA   VAL  46           HA       VAL  46   4.327  -3.999   3.366
  308    HB   VAL  46           HB       VAL  46   2.353  -5.711   4.439
  309   1HG1  VAL  46          1HG1      VAL  46   1.379  -3.661   5.234
  310   2HG1  VAL  46          2HG1      VAL  46   3.140  -3.559   5.316
  311   3HG1  VAL  46          3HG1      VAL  46   2.265  -2.732   4.025
  312   1HG2  VAL  46          1HG2      VAL  46   0.319  -4.936   3.337
  313   2HG2  VAL  46          2HG2      VAL  46   1.294  -4.106   2.121
  314   3HG2  VAL  46          3HG2      VAL  46   1.342  -5.864   2.240
  315    H    ASN  47           H        ASN  47   6.052  -4.983   4.079
  316    HA   ASN  47           HA       ASN  47   7.366  -6.488   5.146
  317   1HB   ASN  47          2HB       ASN  47   4.830  -8.136   5.335
  318   1HD2  ASN  47          1HD2      ASN  47   3.554  -6.482   6.128
  319   2HD2  ASN  47          2HD2      ASN  47   3.855  -5.725   7.648
  320    H    ASP  48           H        ASP  48   5.214  -8.167   2.901
  321    HA   ASP  48           HA       ASP  48   7.376  -9.179   1.317
  322   1HB   ASP  48          2HB       ASP  48   7.445 -10.806   3.184
  323    H    ARG  49           H        ARG  49   4.105  -8.508   1.965
  324    HA   ARG  49           HA       ARG  49   3.136 -10.079  -0.299
  325   1HB   ARG  49          2HB       ARG  49   1.661  -8.594   1.876
  326   1HG   ARG  49          2HG       ARG  49   2.718 -10.700   2.624
  327   1HD   ARG  49          2HD       ARG  49   1.507 -12.796   1.773
  328    HE   ARG  49           HE       ARG  49   3.923 -12.067   1.131
  329   1HH1  ARG  49          2HH1      ARG  49   1.315 -12.773  -1.113
  330   2HH1  ARG  49          1HH1      ARG  49   2.371 -13.410  -2.334
  331   1HH2  ARG  49          2HH2      ARG  49   5.310 -12.895  -0.464
  332   2HH2  ARG  49          1HH2      ARG  49   4.653 -13.459  -1.974
  333    H    GLN  50           H        GLN  50   2.801  -9.183  -2.181
  334    HA   GLN  50           HA       GLN  50   2.715  -6.253  -2.386
  335   1HB   GLN  50          2HB       GLN  50   3.361  -8.406  -4.400
  336   1HG   GLN  50          2HG       GLN  50   5.024  -6.117  -3.379
  337   1HE2  GLN  50          1HE2      GLN  50   7.408  -7.624  -3.736
  338   2HE2  GLN  50          2HE2      GLN  50   7.694  -7.752  -5.439
  339    H    GLY  51           H        GLY  51   0.757  -5.384  -2.608
  340   1HA   GLY  51          1HA       GLY  51  -1.197  -6.634  -4.352
  341   2HA   GLY  51          2HA       GLY  51  -1.632  -6.598  -2.652
  342    H    PHE  52           H        PHE  52  -3.266  -5.385  -4.353
  343    HA   PHE  52           HA       PHE  52  -2.648  -2.567  -4.544
  344   1HB   PHE  52          2HB       PHE  52  -5.057  -4.220  -5.289
  345    HD1  PHE  52           1HD      PHE  52  -3.692  -1.343  -7.064
  346    HD2  PHE  52           2HD      PHE  52  -3.799  -5.602  -6.820
  347    HE1  PHE  52           1HE      PHE  52  -2.697  -1.494  -9.311
  348    HE2  PHE  52           2HE      PHE  52  -2.795  -5.757  -9.059
  349    HZ   PHE  52           HZ       PHE  52  -2.241  -3.702 -10.309
  350    H    VAL  53           H        VAL  53  -3.565  -0.941  -3.426
  351    HA   VAL  53           HA       VAL  53  -5.671  -1.520  -1.479
  352    HB   VAL  53           HB       VAL  53  -4.634  -0.115   0.220
  353   1HG1  VAL  53          1HG1      VAL  53  -2.775  -2.271  -0.752
  354   2HG1  VAL  53          2HG1      VAL  53  -2.752  -1.556   0.861
  355   3HG1  VAL  53          3HG1      VAL  53  -4.154  -2.484   0.328
  356   1HG2  VAL  53          1HG2      VAL  53  -2.324   0.105  -1.706
  357   2HG2  VAL  53          2HG2      VAL  53  -3.393   1.409  -1.183
  358   3HG2  VAL  53          3HG2      VAL  53  -2.297   0.649  -0.026
  359    HA   PRO  54           HA       PRO  54  -7.481   2.285  -2.974
  360   1HB   PRO  54          2HB       PRO  54  -7.845   3.040  -0.122
  361   1HG   PRO  54          2HG       PRO  54  -8.912   1.079   0.504
  362   1HD   PRO  54          2HD       PRO  54  -6.699   0.417   0.387
  363    H    ALA  55           H        ALA  55  -6.294   3.937  -3.715
  364    HA   ALA  55           HA       ALA  55  -3.915   4.902  -2.557
  365   1HB   ALA  55          1HB       ALA  55  -5.766   6.238  -4.530
  366   2HB   ALA  55          2HB       ALA  55  -4.119   6.756  -4.162
  367   3HB   ALA  55          3HB       ALA  55  -4.401   5.187  -4.918
  368    H    ALA  56           H        ALA  56  -7.265   5.747  -2.096
  369    HA   ALA  56           HA       ALA  56  -6.878   8.238  -0.789
  370   1HB   ALA  56          1HB       ALA  56  -9.185   6.311  -0.511
  371   2HB   ALA  56          2HB       ALA  56  -9.187   8.027  -0.095
  372   3HB   ALA  56          3HB       ALA  56  -9.021   7.529  -1.780
  373    H    TYR  57           H        TYR  57  -6.273   5.054   0.191
  374    HA   TYR  57           HA       TYR  57  -6.710   5.616   3.042
  375   1HB   TYR  57          2HB       TYR  57  -6.215   3.091   1.487
  376    HD1  TYR  57           1HD      TYR  57  -7.545   2.005   4.340
  377    HD2  TYR  57           2HD      TYR  57  -8.643   4.536   1.100
  378    HE1  TYR  57           1HE      TYR  57  -9.913   1.536   4.788
  379    HE2  TYR  57           2HE      TYR  57 -11.012   4.089   1.541
  380    HH   TYR  57           HH       TYR  57 -12.418   2.473   2.601
  381    H    VAL  58           H        VAL  58  -4.407   6.134   0.869
  382    HA   VAL  58           HA       VAL  58  -2.237   5.696   2.783
  383    HB   VAL  58           HB       VAL  58  -2.633   4.383   0.314
  384   1HG1  VAL  58          1HG1      VAL  58  -1.638   6.224  -0.863
  385   2HG1  VAL  58          2HG1      VAL  58  -0.257   6.224   0.234
  386   3HG1  VAL  58          3HG1      VAL  58  -0.517   4.861  -0.852
  387   1HG2  VAL  58          1HG2      VAL  58  -1.681   3.392   2.296
  388   2HG2  VAL  58          2HG2      VAL  58  -0.585   3.205   0.924
  389   3HG2  VAL  58          3HG2      VAL  58  -0.258   4.425   2.156
  390    H    LYS  59           H        LYS  59  -0.594   7.285   2.754
  391    HA   LYS  59           HA       LYS  59  -1.145   9.577   0.997
  392   1HB   LYS  59          2HB       LYS  59  -1.809   9.878   3.479
  393   1HG   LYS  59          2HG       LYS  59  -0.006  11.797   2.046
  394   1HD   LYS  59          2HD       LYS  59  -0.811  13.488   3.718
  395   1HE   LYS  59          2HE       LYS  59   0.924  11.312   4.872
  396   1HZ   LYS  59          1HZ       LYS  59   0.824  14.239   5.357
  397   2HZ   LYS  59          2HZ       LYS  59   2.017  13.196   5.965
  398   3HZ   LYS  59          3HZ       LYS  59   0.404  13.016   6.457
  399    H    LYS  60           H        LYS  60   0.467  10.370  -0.029
  400    HA   LYS  60           HA       LYS  60   2.931   9.116  -0.356
  401   1HB   LYS  60          2HB       LYS  60   1.687  11.226  -1.629
  402   1HG   LYS  60          2HG       LYS  60   3.620  11.505  -3.026
  403   1HD   LYS  60          2HD       LYS  60   3.454   8.593  -2.335
  404   1HE   LYS  60          2HE       LYS  60   3.498   8.452  -4.851
  405   1HZ   LYS  60          1HZ       LYS  60   5.862   9.846  -3.704
  406   2HZ   LYS  60          2HZ       LYS  60   5.841   8.761  -5.010
  407   3HZ   LYS  60          3HZ       LYS  60   5.528   8.208  -3.445
  408    H    LEU  61           H        LEU  61   4.465   8.838   1.182
  409    HA   LEU  61           HA       LEU  61   5.081  10.992   3.034
  410   1HB   LEU  61          2HB       LEU  61   6.489   8.346   2.570
  411    HG   LEU  61           HG       LEU  61   4.251   8.073   3.656
  412   1HD1  LEU  61          1HD1      LEU  61   5.087   6.696   5.494
  413   2HD1  LEU  61          2HD1      LEU  61   6.061   6.485   4.039
  414   3HD1  LEU  61          3HD1      LEU  61   6.662   7.479   5.365
  415   1HD2  LEU  61          1HD2      LEU  61   4.118   8.799   6.047
  416   2HD2  LEU  61          2HD2      LEU  61   5.529   9.814   5.759
  417   3HD2  LEU  61          3HD2      LEU  61   4.029  10.115   4.882
  418    H    ASP  62           H        ASP  62   6.537   9.287   0.324
  419    HA   ASP  62           HA       ASP  62   7.759  11.777  -0.540
  420   1HB   ASP  62          2HB       ASP  62   9.584  10.718   0.663
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1  11.717  -9.342   2.383
    2   2H    MET   1          2H        MET   1  11.406 -10.829   3.134
    3   3H    MET   1          3H        MET   1  12.762  -9.918   3.594
    4    HA   MET   1           HA       MET   1   9.930  -9.115   3.955
    5   1HB   MET   1          2HB       MET   1  11.998 -10.181   5.877
    6   1HG   MET   1          2HG       MET   1   9.157 -11.003   5.329
    7   1HE   MET   1          1HE       MET   1   9.386 -11.102   9.268
    8   2HE   MET   1          2HE       MET   1  10.074  -9.880   8.198
    9   3HE   MET   1          3HE       MET   1   8.456 -10.513   7.889
   10    H    ASP   2           H        ASP   2  12.663  -7.814   2.962
   11    HA   ASP   2           HA       ASP   2  12.152  -5.290   4.189
   12   1HB   ASP   2          2HB       ASP   2  14.442  -5.001   5.155
   13    H    GLU   3           H        GLU   3  11.849  -4.754   2.009
   14    HA   GLU   3           HA       GLU   3  14.408  -4.263   0.623
   15   1HB   GLU   3          2HB       GLU   3  12.812  -5.759  -0.618
   16   1HG   GLU   3          2HG       GLU   3  14.166  -3.442  -1.623
   17    H    THR   4           H        THR   4  11.261  -2.878  -0.013
   18    HA   THR   4           HA       THR   4  10.438  -0.757   0.036
   19    HB   THR   4           HB       THR   4  10.855   0.576   2.070
   20    HG1  THR   4           1HG      THR   4  13.061  -1.080   2.239
   21   1HG2  THR   4          1HG2      THR   4  10.476  -2.365   2.658
   22   2HG2  THR   4          2HG2      THR   4   9.209  -1.237   2.170
   23   3HG2  THR   4          3HG2      THR   4  10.024  -1.032   3.720
   24    H    GLY   5           H        GLY   5  12.576  -1.051  -1.723
   25   1HA   GLY   5          1HA       GLY   5  14.472   1.108  -1.166
   26   2HA   GLY   5          2HA       GLY   5  14.601  -0.077  -2.451
   27    H    LYS   6           H        LYS   6  11.724   1.858  -1.840
   28    HA   LYS   6           HA       LYS   6  12.435   3.908  -3.675
   29   1HB   LYS   6          2HB       LYS   6  10.633   3.505  -5.328
   30   1HG   LYS   6          2HG       LYS   6   9.438   1.744  -3.801
   31   1HD   LYS   6          2HD       LYS   6  11.385   0.087  -5.396
   32   1HE   LYS   6          2HE       LYS   6   8.905  -0.782  -3.915
   33   1HZ   LYS   6          1HZ       LYS   6  10.902  -2.412  -5.387
   34   2HZ   LYS   6          2HZ       LYS   6   9.497  -2.992  -4.638
   35   3HZ   LYS   6          3HZ       LYS   6  10.758  -2.349  -3.703
   36    H    GLU   7           H        GLU   7   9.926   4.803  -4.362
   37    HA   GLU   7           HA       GLU   7   9.292   6.481  -2.334
   38   1HB   GLU   7          2HB       GLU   7   7.451   5.403  -4.471
   39   1HG   GLU   7          2HG       GLU   7   7.733   7.649  -5.462
   40    H    LEU   8           H        LEU   8   8.291   6.445  -0.452
   41    HA   LEU   8           HA       LEU   8   6.902   3.965   0.300
   42   1HB   LEU   8          2HB       LEU   8   8.295   6.040   1.978
   43    HG   LEU   8           HG       LEU   8   9.767   4.342   0.909
   44   1HD1  LEU   8          1HD1      LEU   8  10.942   3.711   2.964
   45   2HD1  LEU   8          2HD1      LEU   8  10.411   5.392   3.011
   46   3HD1  LEU   8          3HD1      LEU   8   9.522   4.160   3.909
   47   1HD2  LEU   8          1HD2      LEU   8   9.664   2.031   1.739
   48   2HD2  LEU   8          2HD2      LEU   8   8.153   2.414   2.567
   49   3HD2  LEU   8          3HD2      LEU   8   8.236   2.477   0.804
   50    H    VAL   9           H        VAL   9   5.123   4.095   1.725
   51    HA   VAL   9           HA       VAL   9   3.613   6.608   1.697
   52    HB   VAL   9           HB       VAL   9   1.512   5.211   1.289
   53   1HG1  VAL   9          1HG1      VAL   9   1.734   5.384  -1.144
   54   2HG1  VAL   9          2HG1      VAL   9   2.325   6.821  -0.308
   55   3HG1  VAL   9          3HG1      VAL   9   3.469   5.645  -0.955
   56   1HG2  VAL   9          1HG2      VAL   9   3.557   3.293   0.169
   57   2HG2  VAL   9          2HG2      VAL   9   2.486   2.999   1.539
   58   3HG2  VAL   9          3HG2      VAL   9   1.815   3.192  -0.081
   59    H    LEU  10           H        LEU  10   1.955   6.717   3.251
   60    HA   LEU  10           HA       LEU  10   2.393   4.942   5.557
   61   1HB   LEU  10          2HB       LEU  10   2.805   7.293   6.027
   62    HG   LEU  10           HG       LEU  10   0.279   6.236   7.273
   63   1HD1  LEU  10          1HD1      LEU  10   1.722   6.032   9.254
   64   2HD1  LEU  10          2HD1      LEU  10   2.305   5.079   7.892
   65   3HD1  LEU  10          3HD1      LEU  10   3.088   6.607   8.296
   66   1HD2  LEU  10          1HD2      LEU  10   1.701   8.815   7.893
   67   2HD2  LEU  10          2HD2      LEU  10   0.052   8.627   7.295
   68   3HD2  LEU  10          3HD2      LEU  10   0.472   8.068   8.915
   69    H    ALA  11           H        ALA  11   0.741   3.781   6.389
   70    HA   ALA  11           HA       ALA  11  -1.705   3.670   4.852
   71   1HB   ALA  11          1HB       ALA  11  -2.128   1.657   5.913
   72   2HB   ALA  11          2HB       ALA  11  -0.362   1.700   5.903
   73   3HB   ALA  11          3HB       ALA  11  -1.255   2.120   7.377
   74    H    LEU  12           H        LEU  12  -3.141   5.258   5.252
   75    HA   LEU  12           HA       LEU  12  -3.322   6.602   7.748
   76   1HB   LEU  12          2HB       LEU  12  -4.965   6.653   5.239
   77    HG   LEU  12           HG       LEU  12  -3.315   8.750   6.636
   78   1HD1  LEU  12          1HD1      LEU  12  -3.017   7.417   3.966
   79   2HD1  LEU  12          2HD1      LEU  12  -2.060   8.786   4.532
   80   3HD1  LEU  12          3HD1      LEU  12  -1.962   7.239   5.371
   81   1HD2  LEU  12          1HD2      LEU  12  -3.968  10.216   4.745
   82   2HD2  LEU  12          2HD2      LEU  12  -5.125   8.985   4.238
   83   3HD2  LEU  12          3HD2      LEU  12  -5.322   9.793   5.793
   84    H    TYR  13           H        TYR  13  -4.995   3.860   6.383
   85    HA   TYR  13           HA       TYR  13  -6.579   3.685   8.845
   86   1HB   TYR  13          2HB       TYR  13  -7.843   2.994   6.206
   87    HD1  TYR  13           1HD      TYR  13  -8.640   5.698   8.585
   88    HD2  TYR  13           2HD      TYR  13  -7.501   4.707   4.610
   89    HE1  TYR  13           1HE      TYR  13  -9.050   8.021   7.903
   90    HE2  TYR  13           2HE      TYR  13  -7.899   7.033   3.913
   91    HH   TYR  13           HH       TYR  13  -8.402   9.569   6.173
   92    H    ASP  14           H        ASP  14  -7.596   1.496   9.025
   93    HA   ASP  14           HA       ASP  14  -5.750  -0.575   8.198
   94   1HB   ASP  14          2HB       ASP  14  -6.666  -0.545  10.512
   95    H    TYR  15           H        TYR  15  -6.103  -1.877   6.522
   96    HA   TYR  15           HA       TYR  15  -8.795  -1.938   5.339
   97   1HB   TYR  15          2HB       TYR  15  -7.496  -0.400   3.985
   98    HD1  TYR  15           1HD      TYR  15  -6.113  -2.894   1.958
   99    HD2  TYR  15           2HD      TYR  15  -9.854  -1.245   3.127
  100    HE1  TYR  15           1HE      TYR  15  -7.131  -3.772  -0.089
  101    HE2  TYR  15           2HE      TYR  15 -10.888  -2.125   1.077
  102    HH   TYR  15           HH       TYR  15 -10.211  -2.840  -1.172
  103    H    GLN  16           H        GLN  16  -9.433  -3.892   4.540
  104    HA   GLN  16           HA       GLN  16  -7.583  -6.131   5.033
  105   1HB   GLN  16          2HB       GLN  16  -9.638  -6.107   6.420
  106   1HG   GLN  16          2HG       GLN  16 -10.574  -8.324   5.837
  107   1HE2  GLN  16          1HE2      GLN  16  -9.564 -10.169   6.614
  108   2HE2  GLN  16          2HE2      GLN  16  -7.955 -10.128   7.260
  109    H    GLU  17           H        GLU  17  -6.984  -7.361   3.348
  110    HA   GLU  17           HA       GLU  17  -7.647  -6.636   0.708
  111   1HB   GLU  17          2HB       GLU  17  -6.452  -8.759   0.086
  112   1HG   GLU  17          2HG       GLU  17  -5.045  -9.640   2.116
  113    H    LYS  18           H        LYS  18  -8.808  -7.778  -0.882
  114    HA   LYS  18           HA       LYS  18 -11.057  -9.306   0.225
  115   1HB   LYS  18          2HB       LYS  18 -10.824  -7.849  -2.421
  116   1HG   LYS  18          2HG       LYS  18 -12.499  -7.103  -0.025
  117   1HD   LYS  18          2HD       LYS  18 -13.441  -6.433  -2.188
  118   1HE   LYS  18          2HE       LYS  18 -10.783  -5.059  -2.550
  119   1HZ   LYS  18          1HZ       LYS  18 -13.250  -4.879  -4.193
  120   2HZ   LYS  18          2HZ       LYS  18 -11.732  -4.266  -4.639
  121   3HZ   LYS  18          3HZ       LYS  18 -12.546  -3.622  -3.297
  122    H    SER  19           H        SER  19  -8.700  -9.216  -2.384
  123    HA   SER  19           HA       SER  19  -8.792 -12.140  -2.491
  124   1HB   SER  19          2HB       SER  19  -8.518 -12.022  -4.967
  125    HG   SER  19           HG       SER  19  -8.735  -9.262  -4.429
  126    HA   PRO  20           HA       PRO  20  -4.369 -12.111  -2.321
  127   1HB   PRO  20          2HB       PRO  20  -4.270 -13.263  -5.072
  128   1HG   PRO  20          2HG       PRO  20  -5.585 -15.108  -4.461
  129   1HD   PRO  20          2HD       PRO  20  -7.048 -13.343  -4.867
  130    H    ALA  21           H        ALA  21  -5.881 -10.590  -5.045
  131    HA   ALA  21           HA       ALA  21  -3.522  -9.321  -6.062
  132   1HB   ALA  21          1HB       ALA  21  -6.424  -8.612  -6.468
  133   2HB   ALA  21          2HB       ALA  21  -5.064  -7.944  -7.375
  134   3HB   ALA  21          3HB       ALA  21  -5.453  -9.661  -7.502
  135    H    GLU  22           H        GLU  22  -5.737  -8.682  -3.492
  136    HA   GLU  22           HA       GLU  22  -4.663  -5.967  -3.124
  137   1HB   GLU  22          2HB       GLU  22  -7.001  -7.360  -1.778
  138   1HG   GLU  22          2HG       GLU  22  -8.259  -5.357  -2.745
  139    H    VAL  23           H        VAL  23  -3.965  -5.364  -0.907
  140    HA   VAL  23           HA       VAL  23  -3.276  -7.686   0.761
  141    HB   VAL  23           HB       VAL  23  -1.237  -6.380   1.541
  142   1HG1  VAL  23          1HG1      VAL  23  -1.050  -8.373   0.172
  143   2HG1  VAL  23          2HG1      VAL  23  -1.276  -7.412  -1.290
  144   3HG1  VAL  23          3HG1      VAL  23   0.162  -7.182  -0.295
  145   1HG2  VAL  23          1HG2      VAL  23  -0.277  -4.813  -0.113
  146   2HG2  VAL  23          2HG2      VAL  23  -1.798  -4.867  -1.004
  147   3HG2  VAL  23          3HG2      VAL  23  -1.756  -4.216   0.636
  148    H    THR  24           H        THR  24  -3.061  -7.260   3.004
  149    HA   THR  24           HA       THR  24  -4.991  -5.311   3.935
  150    HB   THR  24           HB       THR  24  -3.436  -7.452   5.395
  151    HG1  THR  24           1HG      THR  24  -6.080  -7.835   5.380
  152   1HG2  THR  24          1HG2      THR  24  -4.074  -5.550   6.860
  153   2HG2  THR  24          2HG2      THR  24  -4.871  -7.065   7.291
  154   3HG2  THR  24          3HG2      THR  24  -5.759  -5.822   6.410
  155    H    MET  25           H        MET  25  -4.405  -3.337   4.599
  156    HA   MET  25           HA       MET  25  -1.648  -2.977   5.557
  157   1HB   MET  25          2HB       MET  25  -1.722  -0.682   4.924
  158   1HG   MET  25          2HG       MET  25  -4.564  -0.942   3.992
  159   1HE   MET  25          1HE       MET  25  -3.436   0.239   1.750
  160   2HE   MET  25          2HE       MET  25  -2.581   1.779   1.828
  161   3HE   MET  25          3HE       MET  25  -1.852   0.331   2.519
  162    H    LYS  26           H        LYS  26  -1.309  -1.731   7.425
  163    HA   LYS  26           HA       LYS  26  -3.676  -1.571   9.171
  164   1HB   LYS  26          2HB       LYS  26  -0.833  -2.293   9.959
  165   1HG   LYS  26          2HG       LYS  26  -1.907  -4.328  10.936
  166   1HD   LYS  26          2HD       LYS  26  -1.951  -5.612   8.918
  167   1HE   LYS  26          2HE       LYS  26   0.079  -4.855   7.772
  168   1HZ   LYS  26          1HZ       LYS  26   0.532  -5.961   9.778
  169   2HZ   LYS  26          2HZ       LYS  26   0.086  -4.629  10.727
  170   3HZ   LYS  26          3HZ       LYS  26   1.502  -4.569   9.801
  171    H    LYS  27           H        LYS  27  -3.962   0.279  10.301
  172    HA   LYS  27           HA       LYS  27  -2.811   2.658   9.435
  173   1HB   LYS  27          2HB       LYS  27  -4.865   2.884  10.526
  174   1HG   LYS  27          2HG       LYS  27  -4.525   4.033  12.730
  175   1HD   LYS  27          2HD       LYS  27  -2.749   4.966  10.479
  176   1HE   LYS  27          2HE       LYS  27  -3.916   6.338  12.884
  177   1HZ   LYS  27          1HZ       LYS  27  -3.160   8.412  11.920
  178   2HZ   LYS  27          2HZ       LYS  27  -4.364   7.716  10.951
  179   3HZ   LYS  27          3HZ       LYS  27  -2.737   7.629  10.477
  180    H    GLY  28           H        GLY  28  -0.852   3.453   9.713
  181   1HA   GLY  28          1HA       GLY  28   0.862   4.308  11.160
  182   2HA   GLY  28          2HA       GLY  28   0.545   2.970  12.261
  183    H    ASP  29           H        ASP  29   0.423   1.478   9.441
  184    HA   ASP  29           HA       ASP  29   3.179   0.602   9.560
  185   1HB   ASP  29          2HB       ASP  29   0.730  -0.341   8.105
  186    H    ILE  30           H        ILE  30   4.696   0.875   7.987
  187    HA   ILE  30           HA       ILE  30   4.055   2.857   5.917
  188    HB   ILE  30           HB       ILE  30   6.676   2.045   7.185
  189   1HG1  ILE  30          2HG1      ILE  30   6.900   4.495   7.569
  190   1HG2  ILE  30          1HG2      ILE  30   7.037   2.137   4.770
  191   2HG2  ILE  30          2HG2      ILE  30   6.358   3.765   4.729
  192   3HG2  ILE  30          3HG2      ILE  30   7.864   3.457   5.595
  193   1HD1  ILE  30          1HD1      ILE  30   4.325   3.417   8.684
  194   2HD1  ILE  30          2HD1      ILE  30   5.932   3.211   9.387
  195   3HD1  ILE  30          3HD1      ILE  30   5.216   4.820   9.278
  196    H    LEU  31           H        LEU  31   4.048   2.300   3.842
  197    HA   LEU  31           HA       LEU  31   5.128  -0.317   3.132
  198   1HB   LEU  31          2HB       LEU  31   3.099  -0.286   1.392
  199    HG   LEU  31           HG       LEU  31   1.753   1.500   2.347
  200   1HD1  LEU  31          1HD1      LEU  31  -0.296   0.174   2.522
  201   2HD1  LEU  31          2HD1      LEU  31   0.745  -0.385   1.214
  202   3HD1  LEU  31          3HD1      LEU  31   0.682  -1.287   2.730
  203   1HD2  LEU  31          1HD2      LEU  31   0.601   1.130   4.507
  204   2HD2  LEU  31          2HD2      LEU  31   1.649  -0.254   4.810
  205   3HD2  LEU  31          3HD2      LEU  31   2.333   1.369   4.725
  206    H    THR  32           H        THR  32   5.378  -0.659   0.769
  207    HA   THR  32           HA       THR  32   6.648   1.786  -0.252
  208    HB   THR  32           HB       THR  32   7.151  -1.074  -1.082
  209    HG1  THR  32           1HG      THR  32   7.725   0.005   1.206
  210   1HG2  THR  32          1HG2      THR  32   9.298  -0.087  -1.902
  211   2HG2  THR  32          2HG2      THR  32   8.629   1.511  -1.561
  212   3HG2  THR  32          3HG2      THR  32   7.866   0.469  -2.768
  213    H    LEU  33           H        LEU  33   6.161   2.612  -2.246
  214    HA   LEU  33           HA       LEU  33   3.772   1.620  -3.525
  215   1HB   LEU  33          2HB       LEU  33   5.528   3.995  -3.840
  216    HG   LEU  33           HG       LEU  33   3.473   4.093  -2.445
  217   1HD1  LEU  33          1HD1      LEU  33   2.697   6.205  -3.356
  218   2HD1  LEU  33          2HD1      LEU  33   4.454   6.088  -3.497
  219   3HD1  LEU  33          3HD1      LEU  33   3.437   5.822  -4.914
  220   1HD2  LEU  33          1HD2      LEU  33   2.074   2.574  -3.733
  221   2HD2  LEU  33          2HD2      LEU  33   1.299   4.152  -3.588
  222   3HD2  LEU  33          3HD2      LEU  33   2.090   3.691  -5.096
  223    H    LEU  34           H        LEU  34   3.652   0.289  -5.156
  224    HA   LEU  34           HA       LEU  34   6.087  -0.361  -6.677
  225   1HB   LEU  34          2HB       LEU  34   3.533  -1.962  -6.553
  226    HG   LEU  34           HG       LEU  34   4.364  -1.930  -4.266
  227   1HD1  LEU  34          1HD1      LEU  34   3.451  -4.013  -5.214
  228   2HD1  LEU  34          2HD1      LEU  34   5.087  -4.519  -5.636
  229   3HD1  LEU  34          3HD1      LEU  34   4.637  -4.304  -3.944
  230   1HD2  LEU  34          1HD2      LEU  34   6.660  -1.288  -4.619
  231   2HD2  LEU  34          2HD2      LEU  34   6.615  -2.829  -3.763
  232   3HD2  LEU  34          3HD2      LEU  34   6.984  -2.792  -5.485
  233    H    ASN  35           H        ASN  35   2.617   0.243  -6.951
  234    HA   ASN  35           HA       ASN  35   3.015   1.346  -9.629
  235   1HB   ASN  35          2HB       ASN  35   2.336  -1.046  -9.899
  236   1HD2  ASN  35          1HD2      ASN  35   1.386  -1.609 -11.784
  237   2HD2  ASN  35          2HD2      ASN  35   0.478  -0.512 -12.772
  238    H    SER  36           H        SER  36   2.277   3.360  -9.440
  239    HA   SER  36           HA       SER  36  -0.227   3.797  -7.973
  240   1HB   SER  36          2HB       SER  36   0.771   6.048  -7.316
  241    HG   SER  36           HG       SER  36   2.973   6.269  -7.431
  242    H    THR  37           H        THR  37   0.514   3.458 -10.882
  243    HA   THR  37           HA       THR  37   0.046   6.057 -12.035
  244    HB   THR  37           HB       THR  37   1.376   4.225 -13.169
  245    HG1  THR  37           1HG      THR  37   1.006   5.526 -14.773
  246   1HG2  THR  37          1HG2      THR  37   0.106   2.611 -14.530
  247   2HG2  THR  37          2HG2      THR  37  -1.382   3.134 -13.742
  248   3HG2  THR  37          3HG2      THR  37  -0.117   2.342 -12.802
  249    H    ASN  38           H        ASN  38  -1.860   3.756 -10.568
  250    HA   ASN  38           HA       ASN  38  -4.294   4.470 -12.025
  251   1HB   ASN  38          2HB       ASN  38  -3.839   2.095 -11.304
  252   1HD2  ASN  38          1HD2      ASN  38  -5.553   0.664 -11.082
  253   2HD2  ASN  38          2HD2      ASN  38  -7.193   1.200 -10.958
  254    H    LYS  39           H        LYS  39  -5.896   5.718 -11.087
  255    HA   LYS  39           HA       LYS  39  -4.872   7.452  -8.982
  256   1HB   LYS  39          2HB       LYS  39  -6.619   9.010  -9.578
  257   1HG   LYS  39          2HG       LYS  39  -7.602   7.036 -11.628
  258   1HD   LYS  39          2HD       LYS  39  -8.529   9.798 -10.857
  259   1HE   LYS  39          2HE       LYS  39  -9.570   7.916 -12.969
  260   1HZ   LYS  39          1HZ       LYS  39 -11.254   9.619 -13.301
  261   2HZ   LYS  39          2HZ       LYS  39  -9.706  10.226 -13.643
  262   3HZ   LYS  39          3HZ       LYS  39 -10.473  10.635 -12.188
  263    H    ASP  40           H        ASP  40  -6.825   4.761  -9.108
  264    HA   ASP  40           HA       ASP  40  -8.266   5.600  -6.675
  265   1HB   ASP  40          2HB       ASP  40  -8.980   3.480  -8.702
  266    H    TRP  41           H        TRP  41  -6.173   3.191  -8.068
  267    HA   TRP  41           HA       TRP  41  -6.022   1.853  -5.452
  268   1HB   TRP  41          2HB       TRP  41  -6.102   0.544  -8.177
  269    HD1  TRP  41           HD       TRP  41  -8.648   1.192  -8.577
  270    HE1  TRP  41           1HE      TRP  41 -10.833   0.342  -7.508
  271    HE3  TRP  41           3HE      TRP  41  -6.681  -1.121  -4.461
  272    HZ2  TRP  41           2HZ      TRP  41 -11.610  -1.113  -5.217
  273    HZ3  TRP  41           3HZ      TRP  41  -8.214  -2.222  -2.882
  274    HH2  TRP  41           HH       TRP  41 -10.628  -2.217  -3.252
  275    H    TRP  42           H        TRP  42  -4.016   1.602  -4.679
  276    HA   TRP  42           HA       TRP  42  -1.776   1.929  -6.567
  277   1HB   TRP  42          2HB       TRP  42  -2.049   2.854  -3.703
  278    HD1  TRP  42           HD       TRP  42  -2.699   3.822  -7.110
  279    HE1  TRP  42           1HE      TRP  42  -2.623   6.356  -7.450
  280    HE3  TRP  42           3HE      TRP  42  -0.392   5.143  -2.761
  281    HZ2  TRP  42           2HZ      TRP  42  -1.735   8.626  -6.040
  282    HZ3  TRP  42           3HZ      TRP  42   0.027   7.532  -2.318
  283    HH2  TRP  42           HH       TRP  42  -0.634   9.231  -3.933
  284    H    LYS  43           H        LYS  43  -0.500   0.220  -6.778
  285    HA   LYS  43           HA       LYS  43  -0.819  -2.039  -4.983
  286   1HB   LYS  43          2HB       LYS  43  -0.601  -2.379  -7.452
  287   1HG   LYS  43          2HG       LYS  43   1.710  -3.600  -5.931
  288   1HD   LYS  43          2HD       LYS  43   1.713  -5.331  -7.477
  289   1HE   LYS  43          2HE       LYS  43   0.878  -3.036  -9.231
  290   1HZ   LYS  43          1HZ       LYS  43   0.940  -5.245 -10.298
  291   2HZ   LYS  43          2HZ       LYS  43   2.563  -5.409  -9.835
  292   3HZ   LYS  43          3HZ       LYS  43   2.113  -4.188 -10.923
  293    H    VAL  44           H        VAL  44   0.534  -2.567  -3.385
  294    HA   VAL  44           HA       VAL  44   3.001  -1.008  -3.078
  295    HB   VAL  44           HB       VAL  44   2.365  -0.685  -0.625
  296   1HG1  VAL  44          1HG1      VAL  44   1.007   1.316  -1.092
  297   2HG1  VAL  44          2HG1      VAL  44   2.359   1.174  -2.217
  298   3HG1  VAL  44          3HG1      VAL  44   0.729   0.740  -2.736
  299   1HG2  VAL  44          1HG2      VAL  44   0.569  -2.210  -0.405
  300   2HG2  VAL  44          2HG2      VAL  44  -0.140  -0.602  -0.279
  301   3HG2  VAL  44          3HG2      VAL  44  -0.293  -1.515  -1.775
  302    H    GLU  45           H        GLU  45   4.354  -1.762  -1.355
  303    HA   GLU  45           HA       GLU  45   4.174  -4.662  -0.875
  304   1HB   GLU  45          2HB       GLU  45   6.142  -3.969  -2.199
  305   1HG   GLU  45          2HG       GLU  45   6.905  -4.730   0.611
  306    H    VAL  46           H        VAL  46   3.404  -5.028   1.111
  307    HA   VAL  46           HA       VAL  46   4.269  -3.244   3.302
  308    HB   VAL  46           HB       VAL  46   2.083  -4.839   4.160
  309   1HG1  VAL  46          1HG1      VAL  46   2.905  -2.589   4.931
  310   2HG1  VAL  46          2HG1      VAL  46   2.014  -1.913   3.571
  311   3HG1  VAL  46          3HG1      VAL  46   1.158  -2.804   4.826
  312   1HG2  VAL  46          1HG2      VAL  46   1.538  -3.380   1.595
  313   2HG2  VAL  46          2HG2      VAL  46   1.400  -5.115   1.879
  314   3HG2  VAL  46          3HG2      VAL  46   0.303  -3.999   2.691
  315    H    ASN  47           H        ASN  47   5.858  -4.173   4.335
  316    HA   ASN  47           HA       ASN  47   6.913  -5.533   5.798
  317   1HB   ASN  47          2HB       ASN  47   4.330  -7.105   5.748
  318   1HD2  ASN  47          1HD2      ASN  47   3.016  -5.357   6.188
  319   2HD2  ASN  47          2HD2      ASN  47   3.133  -4.430   7.641
  320    H    ASP  48           H        ASP  48   5.140  -7.427   3.398
  321    HA   ASP  48           HA       ASP  48   7.428  -8.471   2.128
  322   1HB   ASP  48          2HB       ASP  48   7.496  -9.742   4.329
  323    H    ARG  49           H        ARG  49   4.258  -7.780   2.355
  324    HA   ARG  49           HA       ARG  49   3.379  -9.725   0.330
  325   1HB   ARG  49          2HB       ARG  49   1.718  -7.925   2.104
  326   1HG   ARG  49          2HG       ARG  49   2.811  -9.746   3.398
  327   1HD   ARG  49          2HD       ARG  49   1.479 -11.987   2.967
  328    HE   ARG  49           HE       ARG  49   4.099 -11.193   2.096
  329   1HH1  ARG  49          2HH1      ARG  49   1.739 -13.775   2.208
  330   2HH1  ARG  49          1HH1      ARG  49   2.902 -15.035   1.905
  331   1HH2  ARG  49          2HH2      ARG  49   5.663 -12.853   1.770
  332   2HH2  ARG  49          1HH2      ARG  49   5.136 -14.516   1.692
  333    H    GLN  50           H        GLN  50   2.803  -8.991  -1.690
  334    HA   GLN  50           HA       GLN  50   2.769  -6.065  -2.052
  335   1HB   GLN  50          2HB       GLN  50   3.473  -8.126  -4.148
  336   1HG   GLN  50          2HG       GLN  50   5.272  -6.391  -2.493
  337   1HE2  GLN  50          1HE2      GLN  50   5.797  -8.915  -4.869
  338   2HE2  GLN  50          2HE2      GLN  50   6.919  -8.036  -5.839
  339    H    GLY  51           H        GLY  51   0.871  -5.223  -2.645
  340   1HA   GLY  51          1HA       GLY  51  -0.900  -6.536  -4.467
  341   2HA   GLY  51          2HA       GLY  51  -1.483  -6.645  -2.814
  342    H    PHE  52           H        PHE  52  -3.139  -5.412  -4.368
  343    HA   PHE  52           HA       PHE  52  -2.562  -2.573  -4.541
  344   1HB   PHE  52          2HB       PHE  52  -4.887  -4.282  -5.412
  345    HD1  PHE  52           1HD      PHE  52  -3.606  -1.358  -7.152
  346    HD2  PHE  52           2HD      PHE  52  -3.412  -5.598  -6.813
  347    HE1  PHE  52           1HE      PHE  52  -2.472  -1.474  -9.327
  348    HE2  PHE  52           2HE      PHE  52  -2.268  -5.717  -8.997
  349    HZ   PHE  52           HZ       PHE  52  -1.810  -3.662 -10.259
  350    H    VAL  53           H        VAL  53  -3.484  -1.000  -3.397
  351    HA   VAL  53           HA       VAL  53  -5.650  -1.664  -1.530
  352    HB   VAL  53           HB       VAL  53  -4.698  -0.203   0.173
  353   1HG1  VAL  53          1HG1      VAL  53  -2.734  -2.299  -0.731
  354   2HG1  VAL  53          2HG1      VAL  53  -2.795  -1.574   0.877
  355   3HG1  VAL  53          3HG1      VAL  53  -4.140  -2.560   0.301
  356   1HG2  VAL  53          1HG2      VAL  53  -3.485   1.340  -1.248
  357   2HG2  VAL  53          2HG2      VAL  53  -2.413   0.664  -0.022
  358   3HG2  VAL  53          3HG2      VAL  53  -2.335   0.073  -1.683
  359    HA   PRO  54           HA       PRO  54  -7.634   2.057  -3.024
  360   1HB   PRO  54          2HB       PRO  54  -7.926   2.813  -0.163
  361   1HG   PRO  54          2HG       PRO  54  -8.974   0.841   0.472
  362   1HD   PRO  54          2HD       PRO  54  -6.764   0.188   0.320
  363    H    ALA  55           H        ALA  55  -6.589   3.775  -3.791
  364    HA   ALA  55           HA       ALA  55  -4.200   4.820  -2.712
  365   1HB   ALA  55          1HB       ALA  55  -6.123   6.029  -4.690
  366   2HB   ALA  55          2HB       ALA  55  -4.497   6.623  -4.359
  367   3HB   ALA  55          3HB       ALA  55  -4.720   5.021  -5.066
  368    H    ALA  56           H        ALA  56  -7.507   5.406  -2.001
  369    HA   ALA  56           HA       ALA  56  -7.134   7.977  -0.759
  370   1HB   ALA  56          1HB       ALA  56  -9.458   6.075  -0.460
  371   2HB   ALA  56          2HB       ALA  56  -9.440   7.802  -0.112
  372   3HB   ALA  56          3HB       ALA  56  -9.284   7.238  -1.777
  373    H    TYR  57           H        TYR  57  -6.152   4.963   0.124
  374    HA   TYR  57           HA       TYR  57  -6.647   5.439   2.996
  375   1HB   TYR  57          2HB       TYR  57  -6.234   2.930   1.411
  376    HD1  TYR  57           1HD      TYR  57  -7.383   1.935   4.433
  377    HD2  TYR  57           2HD      TYR  57  -8.699   4.242   1.103
  378    HE1  TYR  57           1HE      TYR  57  -9.714   1.443   5.023
  379    HE2  TYR  57           2HE      TYR  57 -11.032   3.764   1.687
  380    HH   TYR  57           HH       TYR  57 -11.951   2.361   4.670
  381    H    VAL  58           H        VAL  58  -4.342   5.996   0.782
  382    HA   VAL  58           HA       VAL  58  -2.178   5.527   2.696
  383    HB   VAL  58           HB       VAL  58  -2.577   4.109   0.273
  384   1HG1  VAL  58          1HG1      VAL  58  -0.135   5.860   0.206
  385   2HG1  VAL  58          2HG1      VAL  58  -0.392   4.447  -0.818
  386   3HG1  VAL  58          3HG1      VAL  58  -1.465   5.842  -0.953
  387   1HG2  VAL  58          1HG2      VAL  58  -1.718   3.137   2.292
  388   2HG2  VAL  58          2HG2      VAL  58  -0.558   2.914   0.982
  389   3HG2  VAL  58          3HG2      VAL  58  -0.279   4.154   2.208
  390    H    LYS  59           H        LYS  59  -0.440   6.960   2.564
  391    HA   LYS  59           HA       LYS  59  -0.874   9.333   0.869
  392   1HB   LYS  59          2HB       LYS  59  -1.512   9.846   3.171
  393   1HG   LYS  59          2HG       LYS  59   1.027  11.079   2.186
  394   1HD   LYS  59          2HD       LYS  59   0.725  12.801   3.962
  395   1HE   LYS  59          2HE       LYS  59   1.326  10.013   4.959
  396   1HZ   LYS  59          1HZ       LYS  59   1.086  11.685   6.724
  397   2HZ   LYS  59          2HZ       LYS  59   2.264  12.648   5.968
  398   3HZ   LYS  59          3HZ       LYS  59   2.684  11.128   6.592
  399    H    LYS  60           H        LYS  60   0.851  10.041  -0.218
  400    HA   LYS  60           HA       LYS  60   3.312   8.751  -0.426
  401   1HB   LYS  60          2HB       LYS  60   2.255  11.391  -1.196
  402   1HG   LYS  60          2HG       LYS  60   3.442  11.114  -3.240
  403   1HD   LYS  60          2HD       LYS  60   2.460   8.352  -2.646
  404   1HE   LYS  60          2HE       LYS  60   3.396   8.851  -4.878
  405   1HZ   LYS  60          1HZ       LYS  60   3.028  11.057  -5.328
  406   2HZ   LYS  60          2HZ       LYS  60   1.420  11.022  -4.793
  407   3HZ   LYS  60          3HZ       LYS  60   1.830  10.318  -6.278
  408    H    LEU  61           H        LEU  61   4.857   8.465   1.108
  409    HA   LEU  61           HA       LEU  61   5.258  10.528   3.133
  410   1HB   LEU  61          2HB       LEU  61   6.666   7.908   2.645
  411    HG   LEU  61           HG       LEU  61   4.360   7.672   3.590
  412   1HD1  LEU  61          1HD1      LEU  61   5.037   6.219   5.418
  413   2HD1  LEU  61          2HD1      LEU  61   6.098   6.024   4.020
  414   3HD1  LEU  61          3HD1      LEU  61   6.640   6.954   5.417
  415   1HD2  LEU  61          1HD2      LEU  61   5.568   9.351   5.772
  416   2HD2  LEU  61          2HD2      LEU  61   4.066   9.626   4.890
  417   3HD2  LEU  61          3HD2      LEU  61   4.184   8.292   6.040
  418    H    ASP  62           H        ASP  62   6.358   9.686   0.068
  419    HA   ASP  62           HA       ASP  62   8.712  11.413   0.336
  420   1HB   ASP  62          2HB       ASP  62   8.064   9.250  -1.677
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1  15.342  -3.906  -9.559
    2   2H    MET   1          2H        MET   1  16.168  -2.617  -8.832
    3   3H    MET   1          3H        MET   1  15.729  -2.524 -10.465
    4    HA   MET   1           HA       MET   1  14.290  -1.180  -9.075
    5   1HB   MET   1          2HB       MET   1  12.971  -3.601 -10.344
    6   1HG   MET   1          2HG       MET   1  13.274  -0.810 -11.412
    7   1HE   MET   1          1HE       MET   1  10.429  -2.252 -11.012
    8   2HE   MET   1          2HE       MET   1  10.619  -0.688 -11.805
    9   3HE   MET   1          3HE       MET   1   9.696  -1.970 -12.592
   10    H    ASP   2           H        ASP   2  15.270  -3.994  -7.620
   11    HA   ASP   2           HA       ASP   2  14.637  -5.241  -5.795
   12   1HB   ASP   2          2HB       ASP   2  13.524  -2.537  -5.013
   13    H    GLU   3           H        GLU   3  12.413  -5.059  -4.121
   14    HA   GLU   3           HA       GLU   3  10.142  -5.523  -5.962
   15   1HB   GLU   3          2HB       GLU   3  10.645  -6.637  -3.183
   16   1HG   GLU   3          2HG       GLU   3  11.745  -8.109  -4.651
   17    H    THR   4           H        THR   4  10.941  -2.955  -5.295
   18    HA   THR   4           HA       THR   4   8.862  -1.798  -3.770
   19    HB   THR   4           HB       THR   4  10.574  -0.782  -2.078
   20    HG1  THR   4           1HG      THR   4  12.082  -2.669  -1.520
   21   1HG2  THR   4          1HG2      THR   4   8.716  -2.123  -1.311
   22   2HG2  THR   4          2HG2      THR   4  10.175  -2.606  -0.448
   23   3HG2  THR   4          3HG2      THR   4   9.557  -3.609  -1.761
   24    H    GLY   5           H        GLY   5   8.629  -0.279  -5.348
   25   1HA   GLY   5          1HA       GLY   5  10.708   1.040  -6.725
   26   2HA   GLY   5          2HA       GLY   5   9.048   1.593  -6.635
   27    H    LYS   6           H        LYS   6  10.013   1.321  -3.565
   28    HA   LYS   6           HA       LYS   6  10.713   2.729  -1.885
   29   1HB   LYS   6          2HB       LYS   6  12.482   3.904  -4.025
   30   1HG   LYS   6          2HG       LYS   6  12.983   1.572  -3.864
   31   1HD   LYS   6          2HD       LYS   6  13.103   2.022  -0.883
   32   1HE   LYS   6          2HE       LYS   6  14.965   0.633  -1.525
   33   1HZ   LYS   6          1HZ       LYS   6  13.991  -0.050  -3.713
   34   2HZ   LYS   6          2HZ       LYS   6  13.058  -1.193  -2.874
   35   3HZ   LYS   6          3HZ       LYS   6  14.749  -1.288  -2.843
   36    H    GLU   7           H        GLU   7   8.527   3.718  -3.741
   37    HA   GLU   7           HA       GLU   7   8.564   6.472  -2.797
   38   1HB   GLU   7          2HB       GLU   7   6.738   4.894  -4.571
   39   1HG   GLU   7          2HG       GLU   7   8.593   6.273  -5.523
   40    H    LEU   8           H        LEU   8   8.110   6.685  -0.670
   41    HA   LEU   8           HA       LEU   8   6.735   4.450   0.589
   42   1HB   LEU   8          2HB       LEU   8   8.251   6.755   1.776
   43    HG   LEU   8           HG       LEU   8   9.635   5.008   0.721
   44   1HD1  LEU   8          1HD1      LEU   8  11.055   4.534   2.673
   45   2HD1  LEU   8          2HD1      LEU   8  10.525   6.214   2.634
   46   3HD1  LEU   8          3HD1      LEU   8   9.753   5.071   3.732
   47   1HD2  LEU   8          1HD2      LEU   8   9.714   2.770   1.786
   48   2HD2  LEU   8          2HD2      LEU   8   8.239   3.185   2.658
   49   3HD2  LEU   8          3HD2      LEU   8   8.229   3.092   0.893
   50    H    VAL   9           H        VAL   9   4.966   4.509   1.692
   51    HA   VAL   9           HA       VAL   9   3.458   7.028   1.824
   52    HB   VAL   9           HB       VAL   9   1.363   5.670   1.338
   53   1HG1  VAL   9          1HG1      VAL   9   3.323   5.985  -0.925
   54   2HG1  VAL   9          2HG1      VAL   9   1.564   5.922  -1.047
   55   3HG1  VAL   9          3HG1      VAL   9   2.341   7.281  -0.237
   56   1HG2  VAL   9          1HG2      VAL   9   3.401   3.749   0.232
   57   2HG2  VAL   9          2HG2      VAL   9   2.302   3.452   1.578
   58   3HG2  VAL   9          3HG2      VAL   9   1.662   3.672  -0.050
   59    H    LEU  10           H        LEU  10   1.807   7.082   3.375
   60    HA   LEU  10           HA       LEU  10   2.260   5.282   5.656
   61   1HB   LEU  10          2HB       LEU  10   2.607   7.634   6.159
   62    HG   LEU  10           HG       LEU  10   0.067   6.528   7.316
   63   1HD1  LEU  10          1HD1      LEU  10   2.136   5.456   7.989
   64   2HD1  LEU  10          2HD1      LEU  10   2.806   7.016   8.468
   65   3HD1  LEU  10          3HD1      LEU  10   1.424   6.346   9.335
   66   1HD2  LEU  10          1HD2      LEU  10   0.113   8.382   8.935
   67   2HD2  LEU  10          2HD2      LEU  10   1.379   9.155   7.981
   68   3HD2  LEU  10          3HD2      LEU  10  -0.226   8.919   7.287
   69    H    ALA  11           H        ALA  11   0.625   3.994   6.357
   70    HA   ALA  11           HA       ALA  11  -1.844   3.963   4.867
   71   1HB   ALA  11          1HB       ALA  11  -1.224   2.373   7.353
   72   2HB   ALA  11          2HB       ALA  11  -2.401   2.006   6.092
   73   3HB   ALA  11          3HB       ALA  11  -0.673   1.899   5.741
   74    H    LEU  12           H        LEU  12  -3.346   5.459   5.312
   75    HA   LEU  12           HA       LEU  12  -3.520   6.791   7.817
   76   1HB   LEU  12          2HB       LEU  12  -5.240   6.756   5.355
   77    HG   LEU  12           HG       LEU  12  -3.647   8.944   6.685
   78   1HD1  LEU  12          1HD1      LEU  12  -2.234   7.483   5.422
   79   2HD1  LEU  12          2HD1      LEU  12  -3.325   7.570   4.035
   80   3HD1  LEU  12          3HD1      LEU  12  -2.433   9.003   4.549
   81   1HD2  LEU  12          1HD2      LEU  12  -5.751   9.833   5.837
   82   2HD2  LEU  12          2HD2      LEU  12  -4.399  10.375   4.841
   83   3HD2  LEU  12          3HD2      LEU  12  -5.448   9.078   4.271
   84    H    TYR  13           H        TYR  13  -5.201   4.062   6.393
   85    HA   TYR  13           HA       TYR  13  -6.758   3.822   8.877
   86   1HB   TYR  13          2HB       TYR  13  -7.945   3.081   6.215
   87    HD1  TYR  13           1HD      TYR  13  -8.670   5.850   8.598
   88    HD2  TYR  13           2HD      TYR  13  -7.779   4.720   4.600
   89    HE1  TYR  13           1HE      TYR  13  -9.051   8.165   7.866
   90    HE2  TYR  13           2HE      TYR  13  -8.154   7.026   3.850
   91    HH   TYR  13           HH       TYR  13  -9.185   9.036   4.497
   92    H    ASP  14           H        ASP  14  -7.752   1.574   9.021
   93    HA   ASP  14           HA       ASP  14  -5.803  -0.416   8.253
   94   1HB   ASP  14          2HB       ASP  14  -7.066  -1.966   9.633
   95    H    TYR  15           H        TYR  15  -6.084  -1.865   6.660
   96    HA   TYR  15           HA       TYR  15  -8.660  -1.934   5.271
   97   1HB   TYR  15          2HB       TYR  15  -7.374  -0.368   3.950
   98    HD1  TYR  15           1HD      TYR  15  -5.716  -2.930   2.139
   99    HD2  TYR  15           2HD      TYR  15  -9.568  -1.302   2.921
  100    HE1  TYR  15           1HE      TYR  15  -6.581  -4.021   0.112
  101    HE2  TYR  15           2HE      TYR  15 -10.439  -2.380   0.895
  102    HH   TYR  15           HH       TYR  15  -8.701  -4.766  -0.808
  103    H    GLN  16           H        GLN  16  -9.169  -3.900   4.404
  104    HA   GLN  16           HA       GLN  16  -7.207  -6.033   4.906
  105   1HB   GLN  16          2HB       GLN  16  -9.130  -6.017   6.490
  106   1HG   GLN  16          2HG       GLN  16  -9.704  -8.430   4.912
  107   1HE2  GLN  16          1HE2      GLN  16  -8.686  -6.752   7.788
  108   2HE2  GLN  16          2HE2      GLN  16  -9.256  -7.926   8.922
  109    H    GLU  17           H        GLU  17  -6.801  -7.412   3.318
  110    HA   GLU  17           HA       GLU  17  -7.452  -6.784   0.671
  111   1HB   GLU  17          2HB       GLU  17  -6.415  -8.949   0.123
  112   1HG   GLU  17          2HG       GLU  17  -6.657  -9.412   3.076
  113    H    LYS  18           H        LYS  18  -9.075  -7.382  -0.657
  114    HA   LYS  18           HA       LYS  18 -11.246  -8.936   0.561
  115   1HB   LYS  18          2HB       LYS  18 -11.277  -7.152  -1.881
  116   1HG   LYS  18          2HG       LYS  18 -12.457  -6.587   0.839
  117   1HD   LYS  18          2HD       LYS  18 -13.574  -5.608  -1.203
  118   1HE   LYS  18          2HE       LYS  18 -12.436  -3.580  -2.138
  119   1HZ   LYS  18          1HZ       LYS  18 -11.235  -4.724  -3.779
  120   2HZ   LYS  18          2HZ       LYS  18 -12.462  -5.791  -3.309
  121   3HZ   LYS  18          3HZ       LYS  18 -10.878  -6.023  -2.753
  122    H    SER  19           H        SER  19  -9.271  -8.665  -2.329
  123    HA   SER  19           HA       SER  19  -9.819 -11.494  -2.882
  124   1HB   SER  19          2HB       SER  19  -9.397 -10.600  -5.392
  125    HG   SER  19           HG       SER  19  -9.367  -8.368  -4.548
  126    HA   PRO  20           HA       PRO  20  -5.530 -12.280  -3.038
  127   1HB   PRO  20          2HB       PRO  20  -5.694 -13.158  -5.874
  128   1HG   PRO  20          2HG       PRO  20  -7.446 -14.661  -5.473
  129   1HD   PRO  20          2HD       PRO  20  -8.398 -12.538  -5.658
  130    H    ALA  21           H        ALA  21  -6.691  -9.910  -5.107
  131    HA   ALA  21           HA       ALA  21  -4.087  -9.232  -6.207
  132   1HB   ALA  21          1HB       ALA  21  -6.084  -8.947  -7.608
  133   2HB   ALA  21          2HB       ALA  21  -6.716  -7.771  -6.456
  134   3HB   ALA  21          3HB       ALA  21  -5.237  -7.420  -7.353
  135    H    GLU  22           H        GLU  22  -5.917  -8.602  -3.409
  136    HA   GLU  22           HA       GLU  22  -4.534  -6.050  -2.936
  137   1HB   GLU  22          2HB       GLU  22  -6.937  -7.235  -1.531
  138   1HG   GLU  22          2HG       GLU  22  -7.804  -4.882  -2.485
  139    H    VAL  23           H        VAL  23  -3.696  -5.636  -0.801
  140    HA   VAL  23           HA       VAL  23  -3.099  -8.039   0.785
  141    HB   VAL  23           HB       VAL  23  -0.999  -6.795   1.536
  142   1HG1  VAL  23          1HG1      VAL  23  -0.911  -8.746   0.095
  143   2HG1  VAL  23          2HG1      VAL  23  -1.164  -7.730  -1.323
  144   3HG1  VAL  23          3HG1      VAL  23   0.315  -7.568  -0.372
  145   1HG2  VAL  23          1HG2      VAL  23  -1.573  -4.592   0.681
  146   2HG2  VAL  23          2HG2      VAL  23  -0.070  -5.166  -0.040
  147   3HG2  VAL  23          3HG2      VAL  23  -1.571  -5.216  -0.967
  148    H    THR  24           H        THR  24  -2.760  -7.599   3.081
  149    HA   THR  24           HA       THR  24  -4.742  -5.647   3.966
  150    HB   THR  24           HB       THR  24  -3.369  -7.882   5.478
  151    HG1  THR  24           1HG      THR  24  -4.794  -8.847   4.132
  152   1HG2  THR  24          1HG2      THR  24  -4.039  -6.101   7.008
  153   2HG2  THR  24          2HG2      THR  24  -5.097  -7.501   7.202
  154   3HG2  THR  24          3HG2      THR  24  -5.657  -6.087   6.311
  155    H    MET  25           H        MET  25  -4.272  -3.823   5.003
  156    HA   MET  25           HA       MET  25  -1.542  -3.447   6.046
  157   1HB   MET  25          2HB       MET  25  -1.470  -1.175   5.208
  158   1HG   MET  25          2HG       MET  25  -4.033  -1.575   3.713
  159   1HE   MET  25          1HE       MET  25  -2.251  -0.499   1.795
  160   2HE   MET  25          2HE       MET  25  -1.511   1.087   2.006
  161   3HE   MET  25          3HE       MET  25  -0.975  -0.274   2.994
  162    H    LYS  26           H        LYS  26  -1.494  -1.432   7.520
  163    HA   LYS  26           HA       LYS  26  -3.988  -0.975   8.872
  164   1HB   LYS  26          2HB       LYS  26  -2.962  -1.495  11.169
  165   1HG   LYS  26          2HG       LYS  26  -0.604  -1.985  10.259
  166   1HD   LYS  26          2HD       LYS  26  -2.091  -4.520   9.585
  167   1HE   LYS  26          2HE       LYS  26   0.092  -4.760  10.998
  168   1HZ   LYS  26          1HZ       LYS  26   1.469  -3.291   9.642
  169   2HZ   LYS  26          2HZ       LYS  26   1.221  -4.290   8.294
  170   3HZ   LYS  26          3HZ       LYS  26   2.068  -4.877   9.633
  171    H    LYS  27           H        LYS  27  -4.035   0.760  10.237
  172    HA   LYS  27           HA       LYS  27  -2.751   3.025   9.383
  173   1HB   LYS  27          2HB       LYS  27  -4.716   3.350  10.587
  174   1HG   LYS  27          2HG       LYS  27  -4.263   4.477  12.755
  175   1HD   LYS  27          2HD       LYS  27  -2.313   5.413  10.675
  176   1HE   LYS  27          2HE       LYS  27  -4.137   6.852  12.602
  177   1HZ   LYS  27          1HZ       LYS  27  -1.952   8.038  11.001
  178   2HZ   LYS  27          2HZ       LYS  27  -3.162   8.834  11.887
  179   3HZ   LYS  27          3HZ       LYS  27  -3.560   8.017  10.456
  180    H    GLY  28           H        GLY  28  -0.827   3.906   9.644
  181   1HA   GLY  28          1HA       GLY  28   1.030   4.636  10.914
  182   2HA   GLY  28          2HA       GLY  28   0.711   3.351  12.075
  183    H    ASP  29           H        ASP  29   0.480   2.092   9.008
  184    HA   ASP  29           HA       ASP  29   3.130   0.892   9.252
  185   1HB   ASP  29          2HB       ASP  29   0.677  -0.206   8.609
  186    H    ILE  30           H        ILE  30   4.708   1.130   7.739
  187    HA   ILE  30           HA       ILE  30   4.250   3.202   5.741
  188    HB   ILE  30           HB       ILE  30   6.739   2.079   6.990
  189   1HG1  ILE  30          2HG1      ILE  30   7.281   4.437   7.349
  190   1HG2  ILE  30          1HG2      ILE  30   6.670   3.643   4.416
  191   2HG2  ILE  30          2HG2      ILE  30   8.119   3.293   5.359
  192   3HG2  ILE  30          3HG2      ILE  30   7.208   1.976   4.618
  193   1HD1  ILE  30          1HD1      ILE  30   4.437   3.890   8.162
  194   2HD1  ILE  30          2HD1      ILE  30   5.887   3.460   9.069
  195   3HD1  ILE  30          3HD1      ILE  30   5.479   5.157   8.815
  196    H    LEU  31           H        LEU  31   3.617   2.585   3.860
  197    HA   LEU  31           HA       LEU  31   4.285  -0.083   2.859
  198   1HB   LEU  31          2HB       LEU  31   2.193   1.948   2.172
  199    HG   LEU  31           HG       LEU  31   0.608   0.165   2.288
  200   1HD1  LEU  31          1HD1      LEU  31   1.277  -2.135   2.819
  201   2HD1  LEU  31          2HD1      LEU  31   1.875  -1.582   1.254
  202   3HD1  LEU  31          3HD1      LEU  31   2.966  -1.660   2.640
  203   1HD2  LEU  31          1HD2      LEU  31   0.828  -0.579   4.609
  204   2HD2  LEU  31          2HD2      LEU  31   2.501  -0.021   4.625
  205   3HD2  LEU  31          3HD2      LEU  31   1.186   1.138   4.434
  206    H    THR  32           H        THR  32   5.234  -0.368   0.825
  207    HA   THR  32           HA       THR  32   6.597   2.022  -0.208
  208    HB   THR  32           HB       THR  32   7.357  -0.870  -0.658
  209    HG1  THR  32           1HG      THR  32   7.625   0.405   1.540
  210   1HG2  THR  32          1HG2      THR  32   8.668   1.758  -1.347
  211   2HG2  THR  32          2HG2      THR  32   8.111   0.502  -2.464
  212   3HG2  THR  32          3HG2      THR  32   9.504   0.203  -1.416
  213    H    LEU  33           H        LEU  33   5.899   2.804  -2.054
  214    HA   LEU  33           HA       LEU  33   3.861   1.512  -3.541
  215   1HB   LEU  33          2HB       LEU  33   5.422   4.026  -3.879
  216    HG   LEU  33           HG       LEU  33   3.402   4.019  -2.442
  217   1HD1  LEU  33          1HD1      LEU  33   4.120   6.061  -3.483
  218   2HD1  LEU  33          2HD1      LEU  33   3.273   5.639  -4.975
  219   3HD1  LEU  33          3HD1      LEU  33   2.358   5.981  -3.506
  220   1HD2  LEU  33          1HD2      LEU  33   2.125   2.327  -3.657
  221   2HD2  LEU  33          2HD2      LEU  33   1.213   3.828  -3.493
  222   3HD2  LEU  33          3HD2      LEU  33   1.976   3.424  -5.031
  223    H    LEU  34           H        LEU  34   3.923   0.312  -5.229
  224    HA   LEU  34           HA       LEU  34   6.492  -0.290  -6.523
  225   1HB   LEU  34          2HB       LEU  34   3.958  -1.907  -6.694
  226    HG   LEU  34           HG       LEU  34   4.470  -1.799  -4.303
  227   1HD1  LEU  34          1HD1      LEU  34   3.720  -3.913  -5.506
  228   2HD1  LEU  34          2HD1      LEU  34   5.383  -4.474  -5.331
  229   3HD1  LEU  34          3HD1      LEU  34   4.420  -4.105  -3.897
  230   1HD2  LEU  34          1HD2      LEU  34   6.793  -1.233  -4.297
  231   2HD2  LEU  34          2HD2      LEU  34   6.616  -2.800  -3.506
  232   3HD2  LEU  34          3HD2      LEU  34   7.208  -2.715  -5.165
  233    H    ASN  35           H        ASN  35   3.106   0.491  -7.013
  234    HA   ASN  35           HA       ASN  35   3.694   1.843  -9.495
  235   1HB   ASN  35          2HB       ASN  35   3.299  -0.542 -10.182
  236   1HD2  ASN  35          1HD2      ASN  35   3.772   0.445 -12.103
  237   2HD2  ASN  35          2HD2      ASN  35   2.559   1.151 -13.119
  238    H    SER  36           H        SER  36   2.470   3.635  -9.557
  239    HA   SER  36           HA       SER  36  -0.092   3.641  -8.119
  240   1HB   SER  36          2HB       SER  36   0.534   5.988  -7.357
  241    HG   SER  36           HG       SER  36   2.472   6.717  -7.725
  242    H    THR  37           H        THR  37   0.612   3.487 -11.012
  243    HA   THR  37           HA       THR  37  -0.052   6.040 -12.134
  244    HB   THR  37           HB       THR  37   1.299   4.213 -13.288
  245    HG1  THR  37           1HG      THR  37  -0.067   6.140 -14.240
  246   1HG2  THR  37          1HG2      THR  37  -0.199   2.321 -12.922
  247   2HG2  THR  37          2HG2      THR  37   0.016   2.605 -14.649
  248   3HG2  THR  37          3HG2      THR  37  -1.466   3.124 -13.850
  249    H    ASN  38           H        ASN  38  -1.807   3.651 -10.618
  250    HA   ASN  38           HA       ASN  38  -4.341   4.246 -11.955
  251   1HB   ASN  38          2HB       ASN  38  -3.671   1.895 -11.269
  252   1HD2  ASN  38          1HD2      ASN  38  -5.249   0.320 -10.955
  253   2HD2  ASN  38          2HD2      ASN  38  -6.931   0.719 -10.817
  254    H    LYS  39           H        LYS  39  -6.056   5.302 -10.775
  255    HA   LYS  39           HA       LYS  39  -4.926   6.958  -8.634
  256   1HB   LYS  39          2HB       LYS  39  -6.741   8.586  -9.136
  257   1HG   LYS  39          2HG       LYS  39  -7.174   7.026 -11.666
  258   1HD   LYS  39          2HD       LYS  39  -8.599   9.440 -10.573
  259   1HE   LYS  39          2HE       LYS  39  -8.582   8.207 -13.325
  260   1HZ   LYS  39          1HZ       LYS  39 -10.227   9.837 -13.852
  261   2HZ   LYS  39          2HZ       LYS  39  -8.882  10.656 -13.226
  262   3HZ   LYS  39          3HZ       LYS  39 -10.253  10.421 -12.261
  263    H    ASP  40           H        ASP  40  -6.938   4.357  -8.940
  264    HA   ASP  40           HA       ASP  40  -8.360   5.111  -6.471
  265   1HB   ASP  40          2HB       ASP  40  -9.010   2.940  -8.476
  266    H    TRP  41           H        TRP  41  -6.212   2.795  -7.945
  267    HA   TRP  41           HA       TRP  41  -5.884   1.485  -5.334
  268   1HB   TRP  41          2HB       TRP  41  -5.986   0.148  -8.046
  269    HD1  TRP  41           HD       TRP  41  -8.575   0.669  -8.378
  270    HE1  TRP  41           1HE      TRP  41 -10.684  -0.246  -7.212
  271    HE3  TRP  41           3HE      TRP  41  -6.383  -1.462  -4.277
  272    HZ2  TRP  41           2HZ      TRP  41 -11.327  -1.664  -4.865
  273    HZ3  TRP  41           3HZ      TRP  41  -7.819  -2.574  -2.622
  274    HH2  TRP  41           HH       TRP  41 -10.238  -2.674  -2.912
  275    H    TRP  42           H        TRP  42  -3.867   1.387  -4.621
  276    HA   TRP  42           HA       TRP  42  -1.704   1.897  -6.554
  277   1HB   TRP  42          2HB       TRP  42  -2.055   2.783  -3.698
  278    HD1  TRP  42           HD       TRP  42  -2.730   3.714  -7.052
  279    HE1  TRP  42           1HE      TRP  42  -2.580   6.244  -7.460
  280    HE3  TRP  42           3HE      TRP  42  -0.211   5.067  -2.831
  281    HZ2  TRP  42           2HZ      TRP  42  -1.535   8.514  -6.159
  282    HZ3  TRP  42           3HZ      TRP  42   0.330   7.444  -2.490
  283    HH2  TRP  42           HH       TRP  42  -0.321   9.129  -4.117
  284    H    LYS  43           H        LYS  43  -0.099   0.470  -6.726
  285    HA   LYS  43           HA       LYS  43  -0.346  -2.041  -5.287
  286   1HB   LYS  43          2HB       LYS  43   0.176  -1.776  -7.789
  287   1HG   LYS  43          2HG       LYS  43   2.094  -3.432  -6.150
  288   1HD   LYS  43          2HD       LYS  43   1.316  -3.547  -9.059
  289   1HE   LYS  43          2HE       LYS  43   1.368  -5.815  -8.229
  290   1HZ   LYS  43          1HZ       LYS  43   3.085  -6.720  -6.997
  291   2HZ   LYS  43          2HZ       LYS  43   2.857  -5.212  -6.260
  292   3HZ   LYS  43          3HZ       LYS  43   4.155  -5.442  -7.327
  293    H    VAL  44           H        VAL  44   0.804  -2.518  -3.504
  294    HA   VAL  44           HA       VAL  44   3.298  -1.071  -2.961
  295    HB   VAL  44           HB       VAL  44   2.577  -0.723  -0.584
  296   1HG1  VAL  44          1HG1      VAL  44   2.566   1.137  -2.146
  297   2HG1  VAL  44          2HG1      VAL  44   0.937   0.708  -2.671
  298   3HG1  VAL  44          3HG1      VAL  44   1.214   1.267  -1.021
  299   1HG2  VAL  44          1HG2      VAL  44  -0.137  -1.434  -1.687
  300   2HG2  VAL  44          2HG2      VAL  44   0.781  -2.340  -0.483
  301   3HG2  VAL  44          3HG2      VAL  44   0.163  -0.733  -0.097
  302    H    GLU  45           H        GLU  45   4.447  -2.007  -1.042
  303    HA   GLU  45           HA       GLU  45   3.857  -4.878  -0.724
  304   1HB   GLU  45          2HB       GLU  45   6.018  -4.476  -1.861
  305   1HG   GLU  45          2HG       GLU  45   6.129  -5.549   0.943
  306    H    VAL  46           H        VAL  46   3.461  -5.604   1.260
  307    HA   VAL  46           HA       VAL  46   4.390  -4.012   3.569
  308    HB   VAL  46           HB       VAL  46   2.414  -5.772   4.491
  309   1HG1  VAL  46          1HG1      VAL  46   1.262  -3.754   5.163
  310   2HG1  VAL  46          2HG1      VAL  46   2.999  -3.612   5.435
  311   3HG1  VAL  46          3HG1      VAL  46   2.252  -2.801   4.056
  312   1HG2  VAL  46          1HG2      VAL  46   1.563  -6.003   2.230
  313   2HG2  VAL  46          2HG2      VAL  46   0.417  -5.132   3.251
  314   3HG2  VAL  46          3HG2      VAL  46   1.414  -4.249   2.095
  315    H    ASN  47           H        ASN  47   5.973  -4.999   4.540
  316    HA   ASN  47           HA       ASN  47   7.272  -6.435   5.612
  317   1HB   ASN  47          2HB       ASN  47   6.279  -8.375   6.754
  318   1HD2  ASN  47          1HD2      ASN  47   3.279  -6.741   6.425
  319   2HD2  ASN  47          2HD2      ASN  47   2.384  -8.082   5.806
  320    H    ASP  48           H        ASP  48   5.277  -8.424   3.507
  321    HA   ASP  48           HA       ASP  48   7.656  -9.447   2.175
  322   1HB   ASP  48          2HB       ASP  48   7.350 -10.906   4.205
  323    H    ARG  49           H        ARG  49   4.603  -8.337   1.977
  324    HA   ARG  49           HA       ARG  49   3.886 -10.094  -0.285
  325   1HB   ARG  49          2HB       ARG  49   1.886  -8.741   1.528
  326   1HG   ARG  49          2HG       ARG  49   3.307 -10.501   2.745
  327   1HD   ARG  49          2HD       ARG  49   1.556 -12.361   1.156
  328    HE   ARG  49           HE       ARG  49   3.666 -13.029   3.114
  329   1HH1  ARG  49          2HH1      ARG  49   0.439 -13.474   1.808
  330   2HH1  ARG  49          1HH1      ARG  49   0.092 -14.858   2.793
  331   1HH2  ARG  49          2HH2      ARG  49   3.208 -14.824   4.421
  332   2HH2  ARG  49          1HH2      ARG  49   1.656 -15.611   4.315
  333    H    GLN  50           H        GLN  50   3.618  -9.107  -2.147
  334    HA   GLN  50           HA       GLN  50   3.231  -6.190  -2.171
  335   1HB   GLN  50          2HB       GLN  50   4.156  -8.077  -4.346
  336   1HG   GLN  50          2HG       GLN  50   5.616  -5.872  -2.927
  337   1HE2  GLN  50          1HE2      GLN  50   6.697  -8.679  -4.701
  338   2HE2  GLN  50          2HE2      GLN  50   7.642  -7.823  -5.861
  339    H    GLY  51           H        GLY  51   1.296  -5.387  -2.717
  340   1HA   GLY  51          1HA       GLY  51  -0.481  -6.847  -4.482
  341   2HA   GLY  51          2HA       GLY  51  -1.024  -6.757  -2.815
  342    H    PHE  52           H        PHE  52  -2.847  -5.631  -3.917
  343    HA   PHE  52           HA       PHE  52  -2.228  -2.814  -4.459
  344   1HB   PHE  52          2HB       PHE  52  -4.512  -4.589  -5.276
  345    HD1  PHE  52           1HD      PHE  52  -3.283  -1.594  -6.980
  346    HD2  PHE  52           2HD      PHE  52  -3.115  -5.840  -6.759
  347    HE1  PHE  52           1HE      PHE  52  -2.180  -1.656  -9.175
  348    HE2  PHE  52           2HE      PHE  52  -2.008  -5.912  -8.960
  349    HZ   PHE  52           HZ       PHE  52  -1.528  -3.799 -10.164
  350    H    VAL  53           H        VAL  53  -3.233  -1.186  -3.388
  351    HA   VAL  53           HA       VAL  53  -5.294  -1.844  -1.409
  352    HB   VAL  53           HB       VAL  53  -4.299  -0.348   0.243
  353   1HG1  VAL  53          1HG1      VAL  53  -3.744  -2.705   0.388
  354   2HG1  VAL  53          2HG1      VAL  53  -2.379  -2.468  -0.704
  355   3HG1  VAL  53          3HG1      VAL  53  -2.368  -1.724   0.896
  356   1HG2  VAL  53          1HG2      VAL  53  -1.961   0.450  -0.068
  357   2HG2  VAL  53          2HG2      VAL  53  -2.051  -0.079  -1.748
  358   3HG2  VAL  53          3HG2      VAL  53  -3.124   1.197  -1.166
  359    HA   PRO  54           HA       PRO  54  -7.355   1.803  -2.914
  360   1HB   PRO  54          2HB       PRO  54  -7.751   2.656  -0.112
  361   1HG   PRO  54          2HG       PRO  54  -8.572   0.639   0.678
  362   1HD   PRO  54          2HD       PRO  54  -6.303   0.196   0.506
  363    H    ALA  55           H        ALA  55  -6.397   3.568  -3.699
  364    HA   ALA  55           HA       ALA  55  -4.071   4.743  -2.615
  365   1HB   ALA  55          1HB       ALA  55  -4.472   6.540  -4.259
  366   2HB   ALA  55          2HB       ALA  55  -4.588   4.928  -4.968
  367   3HB   ALA  55          3HB       ALA  55  -6.052   5.840  -4.602
  368    H    ALA  56           H        ALA  56  -7.457   5.282  -2.055
  369    HA   ALA  56           HA       ALA  56  -7.205   7.899  -0.915
  370   1HB   ALA  56          1HB       ALA  56  -9.535   7.656  -0.307
  371   2HB   ALA  56          2HB       ALA  56  -9.290   7.087  -1.958
  372   3HB   ALA  56          3HB       ALA  56  -9.473   5.925  -0.643
  373    H    TYR  57           H        TYR  57  -6.250   4.929   0.190
  374    HA   TYR  57           HA       TYR  57  -6.833   5.551   3.015
  375   1HB   TYR  57          2HB       TYR  57  -6.144   2.997   1.586
  376    HD1  TYR  57           1HD      TYR  57  -7.544   1.993   4.475
  377    HD2  TYR  57           2HD      TYR  57  -8.631   4.184   0.990
  378    HE1  TYR  57           1HE      TYR  57  -9.901   1.428   4.862
  379    HE2  TYR  57           2HE      TYR  57 -10.990   3.624   1.364
  380    HH   TYR  57           HH       TYR  57 -12.134   2.339   4.295
  381    H    VAL  58           H        VAL  58  -4.529   6.186   0.859
  382    HA   VAL  58           HA       VAL  58  -2.335   5.808   2.768
  383    HB   VAL  58           HB       VAL  58  -2.690   4.483   0.292
  384   1HG1  VAL  58          1HG1      VAL  58  -0.581   4.978  -0.846
  385   2HG1  VAL  58          2HG1      VAL  58  -1.681   6.357  -0.842
  386   3HG1  VAL  58          3HG1      VAL  58  -0.310   6.319   0.267
  387   1HG2  VAL  58          1HG2      VAL  58  -0.636   3.327   0.925
  388   2HG2  VAL  58          2HG2      VAL  58  -0.347   4.540   2.174
  389   3HG2  VAL  58          3HG2      VAL  58  -1.755   3.484   2.280
  390    H    LYS  59           H        LYS  59  -0.631   7.332   2.619
  391    HA   LYS  59           HA       LYS  59  -1.094   9.649   0.872
  392   1HB   LYS  59          2HB       LYS  59  -1.975  10.146   3.155
  393   1HG   LYS  59          2HG       LYS  59   0.455  11.685   2.296
  394   1HD   LYS  59          2HD       LYS  59  -0.435  13.471   3.833
  395   1HE   LYS  59          2HE       LYS  59   0.590  10.943   5.121
  396   1HZ   LYS  59          1HZ       LYS  59  -0.146  12.466   6.797
  397   2HZ   LYS  59          2HZ       LYS  59   0.662  13.760   6.058
  398   3HZ   LYS  59          3HZ       LYS  59   1.551  12.491   6.749
  399    H    LYS  60           H        LYS  60   0.757  10.518   0.020
  400    HA   LYS  60           HA       LYS  60   3.185   9.100   0.084
  401   1HB   LYS  60          2HB       LYS  60   2.696  12.003  -0.635
  402   1HG   LYS  60          2HG       LYS  60   1.394  10.358  -1.996
  403   1HD   LYS  60          2HD       LYS  60   3.761   8.912  -1.955
  404   1HE   LYS  60          2HE       LYS  60   4.230   8.675  -4.414
  405   1HZ   LYS  60          1HZ       LYS  60   5.875  10.213  -4.378
  406   2HZ   LYS  60          2HZ       LYS  60   5.512  10.170  -2.722
  407   3HZ   LYS  60          3HZ       LYS  60   4.911  11.424  -3.692
  408    H    LEU  61           H        LEU  61   4.821   9.093   1.512
  409    HA   LEU  61           HA       LEU  61   4.713  10.754   3.851
  410   1HB   LEU  61          2HB       LEU  61   6.826   8.843   2.852
  411    HG   LEU  61           HG       LEU  61   4.709   7.757   3.655
  412   1HD1  LEU  61          1HD1      LEU  61   7.202   7.308   5.289
  413   2HD1  LEU  61          2HD1      LEU  61   5.860   6.175   5.130
  414   3HD1  LEU  61          3HD1      LEU  61   6.835   6.590   3.721
  415   1HD2  LEU  61          1HD2      LEU  61   3.969   9.240   5.363
  416   2HD2  LEU  61          2HD2      LEU  61   4.422   7.734   6.152
  417   3HD2  LEU  61          3HD2      LEU  61   5.507   9.122   6.221
  418    H    ASP  62           H        ASP  62   6.314  10.806   0.787
  419    HA   ASP  62           HA       ASP  62   8.146  12.897   1.494
  420   1HB   ASP  62          2HB       ASP  62   8.659  12.965  -0.921
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1  17.848  -7.727  -3.274
    2   2H    MET   1          2H        MET   1  19.040  -8.923  -3.112
    3   3H    MET   1          3H        MET   1  19.483  -7.339  -3.527
    4    HA   MET   1           HA       MET   1  18.275  -8.200  -0.959
    5   1HB   MET   1          2HB       MET   1  20.399  -7.876   0.049
    6   1HG   MET   1          2HG       MET   1  21.467  -6.861  -2.572
    7   1HE   MET   1          1HE       MET   1  23.384  -4.728  -1.113
    8   2HE   MET   1          2HE       MET   1  24.912  -5.611  -1.103
    9   3HE   MET   1          3HE       MET   1  23.880  -5.650  -2.533
   10    H    ASP   2           H        ASP   2  18.115  -5.810  -3.184
   11    HA   ASP   2           HA       ASP   2  17.963  -3.745  -1.099
   12   1HB   ASP   2          2HB       ASP   2  20.092  -3.372  -2.235
   13    H    GLU   3           H        GLU   3  15.869  -3.246  -1.011
   14    HA   GLU   3           HA       GLU   3  14.619  -2.220  -3.427
   15   1HB   GLU   3          2HB       GLU   3  13.891  -4.725  -2.194
   16   1HG   GLU   3          2HG       GLU   3  13.878  -4.507  -4.566
   17    H    THR   4           H        THR   4  12.204  -1.636  -2.462
   18    HA   THR   4           HA       THR   4  11.007  -0.111  -1.301
   19    HB   THR   4           HB       THR   4  11.116  -0.094   1.127
   20    HG1  THR   4           1HG      THR   4  13.685  -1.025   0.674
   21   1HG2  THR   4          1HG2      THR   4  11.561  -2.873   0.038
   22   2HG2  THR   4          2HG2      THR   4  10.026  -2.001   0.046
   23   3HG2  THR   4          3HG2      THR   4  10.781  -2.472   1.568
   24    H    GLY   5           H        GLY   5  13.678   0.652  -2.461
   25   1HA   GLY   5          1HA       GLY   5  14.208   3.086  -0.893
   26   2HA   GLY   5          2HA       GLY   5  15.240   2.441  -2.165
   27    H    LYS   6           H        LYS   6  11.820   3.325  -1.912
   28    HA   LYS   6           HA       LYS   6  12.069   5.305  -3.994
   29   1HB   LYS   6          2HB       LYS   6  10.309   4.270  -5.424
   30   1HG   LYS   6          2HG       LYS   6   9.527   2.590  -3.656
   31   1HD   LYS   6          2HD       LYS   6  11.745   1.616  -3.194
   32   1HE   LYS   6          2HE       LYS   6  12.399   1.735  -5.693
   33   1HZ   LYS   6          1HZ       LYS   6  11.320  -1.023  -5.637
   34   2HZ   LYS   6          2HZ       LYS   6  12.045  -0.215  -6.942
   35   3HZ   LYS   6          3HZ       LYS   6  10.515   0.268  -6.391
   36    H    GLU   7           H        GLU   7   9.242   5.234  -4.578
   37    HA   GLU   7           HA       GLU   7   8.386   7.055  -2.661
   38   1HB   GLU   7          2HB       GLU   7   6.699   5.405  -4.552
   39   1HG   GLU   7          2HG       GLU   7   6.508   7.768  -5.619
   40    H    LEU   8           H        LEU   8   7.896   6.779  -0.641
   41    HA   LEU   8           HA       LEU   8   6.720   4.233   0.210
   42   1HB   LEU   8          2HB       LEU   8   8.191   6.342   1.783
   43    HG   LEU   8           HG       LEU   8   9.619   4.786   0.498
   44   1HD1  LEU   8          1HD1      LEU   8  11.053   4.137   2.378
   45   2HD1  LEU   8          2HD1      LEU   8  10.444   5.780   2.564
   46   3HD1  LEU   8          3HD1      LEU   8   9.727   4.462   3.492
   47   1HD2  LEU   8          1HD2      LEU   8   9.744   2.446   1.189
   48   2HD2  LEU   8          2HD2      LEU   8   8.342   2.691   2.233
   49   3HD2  LEU   8          3HD2      LEU   8   8.180   2.847   0.482
   50    H    VAL   9           H        VAL   9   5.041   4.287   1.752
   51    HA   VAL   9           HA       VAL   9   3.452   6.761   1.751
   52    HB   VAL   9           HB       VAL   9   1.388   5.386   1.321
   53   1HG1  VAL   9          1HG1      VAL   9   1.646   5.437  -1.095
   54   2HG1  VAL   9          2HG1      VAL   9   2.335   6.876  -0.346
   55   3HG1  VAL   9          3HG1      VAL   9   3.395   5.586  -0.913
   56   1HG2  VAL   9          1HG2      VAL   9   3.417   3.365   0.379
   57   2HG2  VAL   9          2HG2      VAL   9   2.290   3.177   1.722
   58   3HG2  VAL   9          3HG2      VAL   9   1.683   3.288   0.070
   59    H    LEU  10           H        LEU  10   1.887   6.901   3.369
   60    HA   LEU  10           HA       LEU  10   2.309   5.062   5.625
   61   1HB   LEU  10          2HB       LEU  10   2.739   7.356   6.216
   62    HG   LEU  10           HG       LEU  10   0.065   6.440   7.254
   63   1HD1  LEU  10          1HD1      LEU  10   2.812   6.518   8.487
   64   2HD1  LEU  10          2HD1      LEU  10   1.333   6.014   9.306
   65   3HD1  LEU  10          3HD1      LEU  10   1.943   5.084   7.938
   66   1HD2  LEU  10          1HD2      LEU  10  -0.017   8.801   7.415
   67   2HD2  LEU  10          2HD2      LEU  10   0.383   8.180   9.017
   68   3HD2  LEU  10          3HD2      LEU  10   1.646   8.885   8.007
   69    H    ALA  11           H        ALA  11   0.692   3.773   6.283
   70    HA   ALA  11           HA       ALA  11  -1.799   3.790   4.847
   71   1HB   ALA  11          1HB       ALA  11  -2.306   1.804   6.002
   72   2HB   ALA  11          2HB       ALA  11  -0.563   1.749   5.734
   73   3HB   ALA  11          3HB       ALA  11  -1.202   2.190   7.326
   74    H    LEU  12           H        LEU  12  -3.246   5.348   5.303
   75    HA   LEU  12           HA       LEU  12  -3.453   6.627   7.837
   76   1HB   LEU  12          2HB       LEU  12  -5.082   6.664   5.323
   77    HG   LEU  12           HG       LEU  12  -3.566   8.817   6.776
   78   1HD1  LEU  12          1HD1      LEU  12  -2.102   7.392   5.528
   79   2HD1  LEU  12          2HD1      LEU  12  -3.138   7.522   4.104
   80   3HD1  LEU  12          3HD1      LEU  12  -2.268   8.938   4.697
   81   1HD2  LEU  12          1HD2      LEU  12  -5.299   8.983   4.313
   82   2HD2  LEU  12          2HD2      LEU  12  -5.625   9.733   5.876
   83   3HD2  LEU  12          3HD2      LEU  12  -4.255  10.277   4.907
   84    H    TYR  13           H        TYR  13  -5.038   3.882   6.373
   85    HA   TYR  13           HA       TYR  13  -6.693   3.619   8.788
   86   1HB   TYR  13          2HB       TYR  13  -7.793   2.902   6.081
   87    HD1  TYR  13           1HD      TYR  13  -8.837   5.481   8.503
   88    HD2  TYR  13           2HD      TYR  13  -7.515   4.674   4.552
   89    HE1  TYR  13           1HE      TYR  13  -9.349   7.803   7.876
   90    HE2  TYR  13           2HE      TYR  13  -8.010   6.993   3.904
   91    HH   TYR  13           HH       TYR  13  -8.667   9.438   6.177
   92    H    ASP  14           H        ASP  14  -7.572   1.453   9.047
   93    HA   ASP  14           HA       ASP  14  -5.735  -0.630   8.230
   94   1HB   ASP  14          2HB       ASP  14  -6.602  -0.682  10.518
   95    H    TYR  15           H        TYR  15  -6.077  -1.976   6.591
   96    HA   TYR  15           HA       TYR  15  -8.724  -1.996   5.327
   97   1HB   TYR  15          2HB       TYR  15  -7.354  -0.441   4.043
   98    HD1  TYR  15           1HD      TYR  15  -5.997  -2.878   1.920
   99    HD2  TYR  15           2HD      TYR  15  -9.725  -1.263   3.182
  100    HE1  TYR  15           1HE      TYR  15  -7.059  -3.739  -0.126
  101    HE2  TYR  15           2HE      TYR  15 -10.791  -2.118   1.152
  102    HH   TYR  15           HH       TYR  15  -9.230  -4.309  -0.981
  103    H    GLN  16           H        GLN  16  -9.364  -3.906   4.477
  104    HA   GLN  16           HA       GLN  16  -7.583  -6.214   4.926
  105   1HB   GLN  16          2HB       GLN  16  -9.668  -6.137   6.296
  106   1HG   GLN  16          2HG       GLN  16 -10.623  -8.331   5.707
  107   1HE2  GLN  16          1HE2      GLN  16  -8.525 -10.173   4.842
  108   2HE2  GLN  16          2HE2      GLN  16  -7.336 -10.154   6.099
  109    H    GLU  17           H        GLU  17  -6.957  -7.326   3.179
  110    HA   GLU  17           HA       GLU  17  -7.576  -6.527   0.560
  111   1HB   GLU  17          2HB       GLU  17  -6.434  -8.644  -0.107
  112   1HG   GLU  17          2HG       GLU  17  -6.467  -9.145   2.848
  113    H    LYS  18           H        LYS  18  -9.121  -7.092  -0.847
  114    HA   LYS  18           HA       LYS  18 -11.291  -8.759   0.145
  115   1HB   LYS  18          2HB       LYS  18 -11.078  -7.076  -2.365
  116   1HG   LYS  18          2HG       LYS  18 -12.692  -6.564   0.135
  117   1HD   LYS  18          2HD       LYS  18 -13.745  -5.772  -1.950
  118   1HE   LYS  18          2HE       LYS  18 -11.248  -4.112  -2.265
  119   1HZ   LYS  18          1HZ       LYS  18 -13.159  -2.953  -3.083
  120   2HZ   LYS  18          2HZ       LYS  18 -13.712  -4.325  -3.911
  121   3HZ   LYS  18          3HZ       LYS  18 -12.296  -3.547  -4.412
  122    H    SER  19           H        SER  19  -9.087  -8.549  -2.598
  123    HA   SER  19           HA       SER  19  -9.471 -11.433  -3.056
  124   1HB   SER  19          2HB       SER  19  -8.557  -9.405  -5.117
  125    HG   SER  19           HG       SER  19 -10.609  -8.797  -4.820
  126    HA   PRO  20           HA       PRO  20  -5.124 -11.997  -2.253
  127   1HB   PRO  20          2HB       PRO  20  -4.937 -13.472  -4.829
  128   1HG   PRO  20          2HG       PRO  20  -6.697 -14.934  -4.316
  129   1HD   PRO  20          2HD       PRO  20  -7.643 -12.927  -5.070
  130    H    ALA  21           H        ALA  21  -6.185 -10.284  -4.947
  131    HA   ALA  21           HA       ALA  21  -3.566  -9.554  -5.926
  132   1HB   ALA  21          1HB       ALA  21  -5.458  -9.607  -7.472
  133   2HB   ALA  21          2HB       ALA  21  -6.276  -8.367  -6.523
  134   3HB   ALA  21          3HB       ALA  21  -4.774  -7.985  -7.368
  135    H    GLU  22           H        GLU  22  -5.841  -8.487  -3.564
  136    HA   GLU  22           HA       GLU  22  -4.431  -5.966  -3.127
  137   1HB   GLU  22          2HB       GLU  22  -6.874  -7.116  -1.744
  138   1HG   GLU  22          2HG       GLU  22  -7.869  -4.944  -2.815
  139    H    VAL  23           H        VAL  23  -3.730  -5.455  -0.867
  140    HA   VAL  23           HA       VAL  23  -3.159  -7.881   0.695
  141    HB   VAL  23           HB       VAL  23  -1.101  -6.635   1.553
  142   1HG1  VAL  23          1HG1      VAL  23  -1.158  -7.601  -1.301
  143   2HG1  VAL  23          2HG1      VAL  23   0.287  -7.418  -0.306
  144   3HG1  VAL  23          3HG1      VAL  23  -0.946  -8.597   0.142
  145   1HG2  VAL  23          1HG2      VAL  23  -1.585  -4.438   0.691
  146   2HG2  VAL  23          2HG2      VAL  23  -0.101  -5.040  -0.047
  147   3HG2  VAL  23          3HG2      VAL  23  -1.609  -5.053  -0.962
  148    H    THR  24           H        THR  24  -3.219  -7.721   2.901
  149    HA   THR  24           HA       THR  24  -4.948  -5.668   3.950
  150    HB   THR  24           HB       THR  24  -3.592  -7.978   5.346
  151    HG1  THR  24           1HG      THR  24  -4.972  -8.830   3.867
  152   1HG2  THR  24          1HG2      THR  24  -5.920  -6.264   6.221
  153   2HG2  THR  24          2HG2      THR  24  -4.301  -6.239   6.920
  154   3HG2  THR  24          3HG2      THR  24  -5.306  -7.681   7.072
  155    H    MET  25           H        MET  25  -4.380  -3.930   5.100
  156    HA   MET  25           HA       MET  25  -1.723  -3.797   6.318
  157   1HB   MET  25          2HB       MET  25  -1.227  -1.626   5.391
  158   1HG   MET  25          2HG       MET  25  -3.794  -1.774   3.828
  159   1HE   MET  25          1HE       MET  25  -3.505   1.999   2.532
  160   2HE   MET  25          2HE       MET  25  -4.535   0.568   2.500
  161   3HE   MET  25          3HE       MET  25  -4.241   1.412   4.021
  162    H    LYS  26           H        LYS  26  -1.610  -1.686   7.693
  163    HA   LYS  26           HA       LYS  26  -4.190  -0.868   8.688
  164   1HB   LYS  26          2HB       LYS  26  -3.568  -1.374  11.108
  165   1HG   LYS  26          2HG       LYS  26  -1.143  -2.049  10.578
  166   1HD   LYS  26          2HD       LYS  26  -2.076  -3.786   8.854
  167   1HE   LYS  26          2HE       LYS  26  -2.456  -5.979   9.688
  168   1HZ   LYS  26          1HZ       LYS  26  -4.393  -4.420   9.850
  169   2HZ   LYS  26          2HZ       LYS  26  -4.055  -4.272  11.504
  170   3HZ   LYS  26          3HZ       LYS  26  -4.477  -5.779  10.857
  171    H    LYS  27           H        LYS  27  -4.189   0.899   9.998
  172    HA   LYS  27           HA       LYS  27  -2.675   3.036   9.361
  173   1HB   LYS  27          2HB       LYS  27  -4.678   3.357  10.573
  174   1HG   LYS  27          2HG       LYS  27  -4.011   4.366  12.843
  175   1HD   LYS  27          2HD       LYS  27  -2.698   5.550  10.411
  176   1HE   LYS  27          2HE       LYS  27  -3.851   6.658  12.958
  177   1HZ   LYS  27          1HZ       LYS  27  -3.501   8.855  12.020
  178   2HZ   LYS  27          2HZ       LYS  27  -4.667   8.002  11.131
  179   3HZ   LYS  27          3HZ       LYS  27  -3.094   8.174  10.519
  180    H    GLY  28           H        GLY  28  -0.737   3.866   9.827
  181   1HA   GLY  28          1HA       GLY  28   1.045   4.411  11.301
  182   2HA   GLY  28          2HA       GLY  28   0.678   2.962  12.235
  183    H    ASP  29           H        ASP  29   0.540   1.942   9.157
  184    HA   ASP  29           HA       ASP  29   3.255   0.891   9.313
  185   1HB   ASP  29          2HB       ASP  29   0.871  -0.316   8.616
  186    H    ILE  30           H        ILE  30   4.804   1.290   7.810
  187    HA   ILE  30           HA       ILE  30   4.161   3.259   5.724
  188    HB   ILE  30           HB       ILE  30   6.813   2.506   6.977
  189   1HG1  ILE  30          2HG1      ILE  30   6.916   4.977   7.457
  190   1HG2  ILE  30          1HG2      ILE  30   7.195   2.772   4.620
  191   2HG2  ILE  30          2HG2      ILE  30   6.314   4.299   4.616
  192   3HG2  ILE  30          3HG2      ILE  30   7.846   4.167   5.480
  193   1HD1  ILE  30          1HD1      ILE  30   6.223   3.436   9.241
  194   2HD1  ILE  30          2HD1      ILE  30   5.451   5.017   9.356
  195   3HD1  ILE  30          3HD1      ILE  30   4.546   3.639   8.732
  196    H    LEU  31           H        LEU  31   3.860   2.442   3.757
  197    HA   LEU  31           HA       LEU  31   5.092  -0.179   3.195
  198   1HB   LEU  31          2HB       LEU  31   2.884   0.576   1.411
  199    HG   LEU  31           HG       LEU  31   1.465   1.115   3.170
  200   1HD1  LEU  31          1HD1      LEU  31  -0.014  -0.781   3.323
  201   2HD1  LEU  31          2HD1      LEU  31   0.660  -0.631   1.701
  202   3HD1  LEU  31          3HD1      LEU  31   1.291  -1.855   2.804
  203   1HD2  LEU  31          1HD2      LEU  31   1.320  -0.090   5.280
  204   2HD2  LEU  31          2HD2      LEU  31   2.653  -1.137   4.783
  205   3HD2  LEU  31          3HD2      LEU  31   2.936   0.583   5.058
  206    H    THR  32           H        THR  32   5.526  -0.571   0.810
  207    HA   THR  32           HA       THR  32   6.716   1.874  -0.312
  208    HB   THR  32           HB       THR  32   7.394  -1.013  -0.918
  209    HG1  THR  32           1HG      THR  32   7.988   0.307   1.211
  210   1HG2  THR  32          1HG2      THR  32   9.422   0.022  -1.969
  211   2HG2  THR  32          2HG2      THR  32   8.642   1.597  -1.795
  212   3HG2  THR  32          3HG2      THR  32   7.911   0.354  -2.817
  213    H    LEU  33           H        LEU  33   6.014   2.658  -2.225
  214    HA   LEU  33           HA       LEU  33   3.801   1.387  -3.521
  215   1HB   LEU  33          2HB       LEU  33   5.358   3.874  -4.115
  216    HG   LEU  33           HG       LEU  33   3.657   3.985  -2.330
  217   1HD1  LEU  33          1HD1      LEU  33   2.555   5.971  -3.191
  218   2HD1  LEU  33          2HD1      LEU  33   4.233   5.935  -3.736
  219   3HD1  LEU  33          3HD1      LEU  33   2.932   5.492  -4.851
  220   1HD2  LEU  33          1HD2      LEU  33   2.141   2.269  -3.305
  221   2HD2  LEU  33          2HD2      LEU  33   1.327   3.753  -2.821
  222   3HD2  LEU  33          3HD2      LEU  33   1.667   3.450  -4.524
  223    H    LEU  34           H        LEU  34   3.771   0.145  -5.218
  224    HA   LEU  34           HA       LEU  34   6.280  -0.450  -6.628
  225   1HB   LEU  34          2HB       LEU  34   3.712  -2.039  -6.626
  226    HG   LEU  34           HG       LEU  34   4.524  -2.049  -4.320
  227   1HD1  LEU  34          1HD1      LEU  34   5.222  -4.642  -5.687
  228   2HD1  LEU  34          2HD1      LEU  34   4.668  -4.416  -4.027
  229   3HD1  LEU  34          3HD1      LEU  34   3.573  -4.097  -5.375
  230   1HD2  LEU  34          1HD2      LEU  34   7.130  -2.913  -5.564
  231   2HD2  LEU  34          2HD2      LEU  34   6.831  -1.473  -4.589
  232   3HD2  LEU  34          3HD2      LEU  34   6.758  -3.074  -3.849
  233    H    ASN  35           H        ASN  35   2.897   0.394  -7.015
  234    HA   ASN  35           HA       ASN  35   3.415   1.723  -9.509
  235   1HB   ASN  35          2HB       ASN  35   3.068  -0.635 -10.244
  236   1HD2  ASN  35          1HD2      ASN  35   2.335  -0.992 -12.285
  237   2HD2  ASN  35          2HD2      ASN  35   1.485   0.202 -13.203
  238    H    SER  36           H        SER  36   2.329   3.563  -9.285
  239    HA   SER  36           HA       SER  36  -0.300   3.484  -7.999
  240   1HB   SER  36          2HB       SER  36   1.654   5.680  -7.485
  241    HG   SER  36           HG       SER  36   1.096   3.602  -5.703
  242    H    THR  37           H        THR  37   0.590   3.596 -10.801
  243    HA   THR  37           HA       THR  37  -0.082   6.258 -11.674
  244    HB   THR  37           HB       THR  37   1.457   4.577 -12.881
  245    HG1  THR  37           1HG      THR  37  -0.388   5.672 -14.697
  246   1HG2  THR  37          1HG2      THR  37   0.349   3.230 -14.617
  247   2HG2  THR  37          2HG2      THR  37  -1.220   3.657 -13.937
  248   3HG2  THR  37          3HG2      THR  37  -0.084   2.691 -12.996
  249    H    ASN  38           H        ASN  38  -1.799   3.658 -10.543
  250    HA   ASN  38           HA       ASN  38  -4.258   4.211 -11.997
  251   1HB   ASN  38          2HB       ASN  38  -3.650   1.893 -11.265
  252   1HD2  ASN  38          1HD2      ASN  38  -5.261   0.387 -11.228
  253   2HD2  ASN  38          2HD2      ASN  38  -6.931   0.765 -10.996
  254    H    LYS  39           H        LYS  39  -6.054   5.217 -11.029
  255    HA   LYS  39           HA       LYS  39  -5.150   7.260  -9.169
  256   1HB   LYS  39          2HB       LYS  39  -7.086   8.535  -9.813
  257   1HG   LYS  39          2HG       LYS  39  -8.006   6.164 -11.431
  258   1HD   LYS  39          2HD       LYS  39  -9.065   8.974 -11.230
  259   1HE   LYS  39          2HE       LYS  39 -10.174   6.549 -12.631
  260   1HZ   LYS  39          1HZ       LYS  39 -11.955   8.106 -13.300
  261   2HZ   LYS  39          2HZ       LYS  39 -10.465   8.440 -14.037
  262   3HZ   LYS  39          3HZ       LYS  39 -11.004   9.397 -12.746
  263    H    ASP  40           H        ASP  40  -6.900   4.373  -8.931
  264    HA   ASP  40           HA       ASP  40  -8.040   5.324  -6.375
  265   1HB   ASP  40          2HB       ASP  40  -9.803   4.846  -8.047
  266    H    TRP  41           H        TRP  41  -6.136   2.931  -7.967
  267    HA   TRP  41           HA       TRP  41  -5.891   1.459  -5.436
  268   1HB   TRP  41          2HB       TRP  41  -5.997   0.316  -8.231
  269    HD1  TRP  41           HD       TRP  41  -8.556   0.680  -8.640
  270    HE1  TRP  41           1HE      TRP  41 -10.674  -0.238  -7.495
  271    HE3  TRP  41           3HE      TRP  41  -6.420  -1.263  -4.420
  272    HZ2  TRP  41           2HZ      TRP  41 -11.344  -1.604  -5.112
  273    HZ3  TRP  41           3HZ      TRP  41  -7.865  -2.357  -2.759
  274    HH2  TRP  41           HH       TRP  41 -10.278  -2.523  -3.099
  275    H    TRP  42           H        TRP  42  -3.890   1.448  -4.668
  276    HA   TRP  42           HA       TRP  42  -1.682   1.829  -6.578
  277   1HB   TRP  42          2HB       TRP  42  -1.964   2.701  -3.702
  278    HD1  TRP  42           HD       TRP  42  -2.769   3.698  -7.036
  279    HE1  TRP  42           1HE      TRP  42  -2.774   6.245  -7.347
  280    HE3  TRP  42           3HE      TRP  42  -0.238   4.989  -2.839
  281    HZ2  TRP  42           2HZ      TRP  42  -1.823   8.513  -5.948
  282    HZ3  TRP  42           3HZ      TRP  42   0.173   7.354  -2.370
  283    HH2  TRP  42           HH       TRP  42  -0.594   9.090  -3.903
  284    H    LYS  43           H        LYS  43  -0.339   0.203  -6.823
  285    HA   LYS  43           HA       LYS  43  -0.564  -2.172  -5.196
  286   1HB   LYS  43          2HB       LYS  43  -0.113  -2.109  -7.710
  287   1HG   LYS  43          2HG       LYS  43   1.891  -3.634  -6.048
  288   1HD   LYS  43          2HD       LYS  43   1.009  -3.888  -8.915
  289   1HE   LYS  43          2HE       LYS  43   0.932  -6.122  -8.051
  290   1HZ   LYS  43          1HZ       LYS  43   2.703  -7.120  -6.859
  291   2HZ   LYS  43          2HZ       LYS  43   2.292  -5.700  -6.037
  292   3HZ   LYS  43          3HZ       LYS  43   3.680  -5.743  -7.009
  293    H    VAL  44           H        VAL  44   0.633  -2.588  -3.431
  294    HA   VAL  44           HA       VAL  44   3.179  -1.164  -3.060
  295    HB   VAL  44           HB       VAL  44   2.615  -0.808  -0.663
  296   1HG1  VAL  44          1HG1      VAL  44   0.869   0.547  -2.700
  297   2HG1  VAL  44          2HG1      VAL  44   1.022   1.082  -1.025
  298   3HG1  VAL  44          3HG1      VAL  44   2.434   1.083  -2.083
  299   1HG2  VAL  44          1HG2      VAL  44   0.904  -2.447  -0.332
  300   2HG2  VAL  44          2HG2      VAL  44   0.201  -0.859  -0.035
  301   3HG2  VAL  44          3HG2      VAL  44  -0.123  -1.694  -1.554
  302    H    GLU  45           H        GLU  45   4.444  -2.100  -1.238
  303    HA   GLU  45           HA       GLU  45   3.789  -4.930  -0.758
  304   1HB   GLU  45          2HB       GLU  45   5.940  -4.615  -1.970
  305   1HG   GLU  45          2HG       GLU  45   6.273  -5.549   0.877
  306    H    VAL  46           H        VAL  46   3.193  -5.398   1.239
  307    HA   VAL  46           HA       VAL  46   4.053  -3.612   3.428
  308    HB   VAL  46           HB       VAL  46   2.033  -5.521   4.209
  309   1HG1  VAL  46          1HG1      VAL  46   1.990  -2.520   4.220
  310   2HG1  VAL  46          2HG1      VAL  46   0.984  -3.599   5.185
  311   3HG1  VAL  46          3HG1      VAL  46   2.724  -3.534   5.464
  312   1HG2  VAL  46          1HG2      VAL  46   1.289  -5.337   1.910
  313   2HG2  VAL  46          2HG2      VAL  46   0.142  -4.609   3.032
  314   3HG2  VAL  46          3HG2      VAL  46   1.206  -3.581   2.076
  315    H    ASN  47           H        ASN  47   5.795  -4.474   4.314
  316    HA   ASN  47           HA       ASN  47   6.991  -5.840   5.677
  317   1HB   ASN  47          2HB       ASN  47   4.528  -7.603   5.617
  318   1HD2  ASN  47          1HD2      ASN  47   2.895  -7.050   6.956
  319   2HD2  ASN  47          2HD2      ASN  47   2.887  -5.635   7.945
  320    H    ASP  48           H        ASP  48   5.188  -7.765   3.312
  321    HA   ASP  48           HA       ASP  48   7.507  -8.695   1.978
  322   1HB   ASP  48          2HB       ASP  48   6.965 -11.128   2.430
  323    H    ARG  49           H        ARG  49   4.155  -8.286   2.350
  324    HA   ARG  49           HA       ARG  49   3.512 -10.002   0.066
  325   1HB   ARG  49          2HB       ARG  49   1.698  -8.510   1.973
  326   1HG   ARG  49          2HG       ARG  49   2.737 -10.438   3.061
  327   1HD   ARG  49          2HD       ARG  49   1.930 -12.716   2.205
  328    HE   ARG  49           HE       ARG  49   4.317 -11.523   1.760
  329   1HH1  ARG  49          2HH1      ARG  49   2.271 -13.642  -0.145
  330   2HH1  ARG  49          1HH1      ARG  49   3.589 -14.303  -1.071
  331   1HH2  ARG  49          2HH2      ARG  49   6.046 -12.372   0.532
  332   2HH2  ARG  49          1HH2      ARG  49   5.739 -13.568  -0.695
  333    H    GLN  50           H        GLN  50   3.100  -9.184  -1.900
  334    HA   GLN  50           HA       GLN  50   2.991  -6.254  -2.126
  335   1HB   GLN  50          2HB       GLN  50   3.702  -8.223  -4.307
  336   1HG   GLN  50          2HG       GLN  50   5.498  -6.673  -2.488
  337   1HE2  GLN  50          1HE2      GLN  50   6.067  -8.873  -5.171
  338   2HE2  GLN  50          2HE2      GLN  50   7.194  -7.859  -5.996
  339    H    GLY  51           H        GLY  51   1.063  -5.442  -2.564
  340   1HA   GLY  51          1HA       GLY  51  -0.715  -6.714  -4.446
  341   2HA   GLY  51          2HA       GLY  51  -1.279  -6.790  -2.783
  342    H    PHE  52           H        PHE  52  -2.921  -5.536  -4.339
  343    HA   PHE  52           HA       PHE  52  -2.284  -2.711  -4.506
  344   1HB   PHE  52          2HB       PHE  52  -4.644  -4.373  -5.375
  345    HD1  PHE  52           1HD      PHE  52  -3.403  -1.439  -7.120
  346    HD2  PHE  52           2HD      PHE  52  -3.139  -5.676  -6.792
  347    HE1  PHE  52           1HE      PHE  52  -2.284  -1.537  -9.308
  348    HE2  PHE  52           2HE      PHE  52  -2.018  -5.779  -8.981
  349    HZ   PHE  52           HZ       PHE  52  -1.616  -3.703 -10.255
  350    H    VAL  53           H        VAL  53  -3.127  -1.118  -3.306
  351    HA   VAL  53           HA       VAL  53  -5.301  -1.759  -1.435
  352    HB   VAL  53           HB       VAL  53  -4.339  -0.279   0.259
  353   1HG1  VAL  53          1HG1      VAL  53  -2.447  -1.674   0.969
  354   2HG1  VAL  53          2HG1      VAL  53  -3.825  -2.635   0.430
  355   3HG1  VAL  53          3HG1      VAL  53  -2.426  -2.431  -0.626
  356   1HG2  VAL  53          1HG2      VAL  53  -1.984   0.478   0.031
  357   2HG2  VAL  53          2HG2      VAL  53  -2.030  -0.034  -1.659
  358   3HG2  VAL  53          3HG2      VAL  53  -3.101   1.250  -1.094
  359    HA   PRO  54           HA       PRO  54  -7.326   1.895  -2.968
  360   1HB   PRO  54          2HB       PRO  54  -7.713   2.717  -0.141
  361   1HG   PRO  54          2HG       PRO  54  -8.614   0.707   0.579
  362   1HD   PRO  54          2HD       PRO  54  -6.372   0.180   0.438
  363    H    ALA  55           H        ALA  55  -6.371   3.671  -3.727
  364    HA   ALA  55           HA       ALA  55  -4.052   4.834  -2.638
  365   1HB   ALA  55          1HB       ALA  55  -6.059   5.979  -4.571
  366   2HB   ALA  55          2HB       ALA  55  -4.469   6.663  -4.233
  367   3HB   ALA  55          3HB       ALA  55  -4.601   5.068  -4.981
  368    H    ALA  56           H        ALA  56  -7.438   5.369  -2.080
  369    HA   ALA  56           HA       ALA  56  -7.195   7.917  -0.809
  370   1HB   ALA  56          1HB       ALA  56  -9.443   5.916  -0.604
  371   2HB   ALA  56          2HB       ALA  56  -9.519   7.638  -0.227
  372   3HB   ALA  56          3HB       ALA  56  -9.269   7.110  -1.892
  373    H    TYR  57           H        TYR  57  -6.082   4.997   0.166
  374    HA   TYR  57           HA       TYR  57  -6.688   5.485   3.011
  375   1HB   TYR  57          2HB       TYR  57  -6.093   2.977   1.473
  376    HD1  TYR  57           1HD      TYR  57  -7.337   1.948   4.448
  377    HD2  TYR  57           2HD      TYR  57  -8.596   4.167   1.038
  378    HE1  TYR  57           1HE      TYR  57  -9.670   1.381   4.944
  379    HE2  TYR  57           2HE      TYR  57 -10.934   3.610   1.532
  380    HH   TYR  57           HH       TYR  57 -12.204   1.867   2.737
  381    H    VAL  58           H        VAL  58  -4.416   6.378   0.986
  382    HA   VAL  58           HA       VAL  58  -2.202   5.779   2.803
  383    HB   VAL  58           HB       VAL  58  -2.628   4.571   0.262
  384   1HG1  VAL  58          1HG1      VAL  58  -0.434   4.974  -0.784
  385   2HG1  VAL  58          2HG1      VAL  58  -1.467   6.405  -0.775
  386   3HG1  VAL  58          3HG1      VAL  58  -0.145   6.265   0.385
  387   1HG2  VAL  58          1HG2      VAL  58  -0.324   4.393   2.189
  388   2HG2  VAL  58          2HG2      VAL  58  -1.810   3.442   2.243
  389   3HG2  VAL  58          3HG2      VAL  58  -0.685   3.244   0.898
  390    H    LYS  59           H        LYS  59  -0.517   7.276   2.821
  391    HA   LYS  59           HA       LYS  59  -0.932   9.714   1.202
  392   1HB   LYS  59          2HB       LYS  59  -1.477  10.060   3.610
  393   1HG   LYS  59          2HG       LYS  59   0.868  11.506   2.444
  394   1HD   LYS  59          2HD       LYS  59   0.647  13.164   4.261
  395   1HE   LYS  59          2HE       LYS  59   1.345  10.432   5.323
  396   1HZ   LYS  59          1HZ       LYS  59   2.770  12.949   5.887
  397   2HZ   LYS  59          2HZ       LYS  59   2.731  11.516   6.798
  398   3HZ   LYS  59          3HZ       LYS  59   1.382  12.545   6.775
  399    H    LYS  60           H        LYS  60   0.796  10.474   0.118
  400    HA   LYS  60           HA       LYS  60   3.140   8.982  -0.227
  401   1HB   LYS  60          2HB       LYS  60   2.576  11.885  -0.845
  402   1HG   LYS  60          2HG       LYS  60   1.191  10.166  -2.027
  403   1HD   LYS  60          2HD       LYS  60   3.608   8.861  -2.315
  404   1HE   LYS  60          2HE       LYS  60   3.948   8.708  -4.741
  405   1HZ   LYS  60          1HZ       LYS  60   5.114  10.730  -5.045
  406   2HZ   LYS  60          2HZ       LYS  60   5.252  10.334  -3.404
  407   3HZ   LYS  60          3HZ       LYS  60   4.164  11.544  -3.902
  408    H    LEU  61           H        LEU  61   4.612   8.651   1.326
  409    HA   LEU  61           HA       LEU  61   5.485  10.850   3.026
  410   1HB   LEU  61          2HB       LEU  61   6.654   8.084   2.746
  411    HG   LEU  61           HG       LEU  61   4.312   7.947   3.585
  412   1HD1  LEU  61          1HD1      LEU  61   4.859   6.585   5.523
  413   2HD1  LEU  61          2HD1      LEU  61   5.997   6.296   4.207
  414   3HD1  LEU  61          3HD1      LEU  61   6.473   7.296   5.581
  415   1HD2  LEU  61          1HD2      LEU  61   5.431   9.661   5.794
  416   2HD2  LEU  61          2HD2      LEU  61   4.090  10.050   4.716
  417   3HD2  LEU  61          3HD2      LEU  61   3.922   8.755   5.901
  418    H    ASP  62           H        ASP  62   6.138   9.515   0.001
  419    HA   ASP  62           HA       ASP  62   8.547  11.155  -0.271
  420   1HB   ASP  62          2HB       ASP  62   9.177   8.743  -0.044
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1  18.917   1.609   6.290
    2   2H    MET   1          2H        MET   1  19.242   0.949   4.760
    3   3H    MET   1          3H        MET   1  20.468   1.744   5.616
    4    HA   MET   1           HA       MET   1  20.724  -0.661   5.703
    5   1HB   MET   1          2HB       MET   1  19.988   0.678   8.316
    6   1HG   MET   1          2HG       MET   1  22.675   0.276   7.022
    7   1HE   MET   1          1HE       MET   1  24.776   2.301   9.645
    8   2HE   MET   1          2HE       MET   1  24.806   1.445   8.103
    9   3HE   MET   1          3HE       MET   1  23.923   2.964   8.249
   10    H    ASP   2           H        ASP   2  17.930  -0.238   4.891
   11    HA   ASP   2           HA       ASP   2  16.720  -2.474   6.361
   12   1HB   ASP   2          2HB       ASP   2  14.527  -1.350   6.360
   13    H    GLU   3           H        GLU   3  14.457  -2.880   5.067
   14    HA   GLU   3           HA       GLU   3  15.058  -2.688   2.185
   15   1HB   GLU   3          2HB       GLU   3  15.358  -5.014   3.084
   16   1HG   GLU   3          2HG       GLU   3  14.071  -6.167   1.398
   17    H    THR   4           H        THR   4  13.719  -0.654   3.119
   18    HA   THR   4           HA       THR   4  10.888  -1.143   2.841
   19    HB   THR   4           HB       THR   4  10.738   1.403   2.838
   20    HG1  THR   4           1HG      THR   4  13.500   1.143   3.566
   21   1HG2  THR   4          1HG2      THR   4  11.238   1.594   5.265
   22   2HG2  THR   4          2HG2      THR   4  12.010   0.011   5.203
   23   3HG2  THR   4          3HG2      THR   4  10.284   0.165   4.870
   24    H    GLY   5           H        GLY   5  13.282  -1.198   0.789
   25   1HA   GLY   5          1HA       GLY   5  13.258  -1.539  -1.478
   26   2HA   GLY   5          2HA       GLY   5  11.537  -1.202  -1.449
   27    H    LYS   6           H        LYS   6  11.030   1.183  -1.075
   28    HA   LYS   6           HA       LYS   6  12.706   3.069  -2.383
   29   1HB   LYS   6          2HB       LYS   6  11.417   3.223  -4.515
   30   1HG   LYS   6          2HG       LYS   6   9.457   1.785  -3.662
   31   1HD   LYS   6          2HD       LYS   6  10.849  -0.183  -3.053
   32   1HE   LYS   6          2HE       LYS   6  11.112  -0.559  -6.031
   33   1HZ   LYS   6          1HZ       LYS   6  10.905  -2.588  -4.554
   34   2HZ   LYS   6          2HZ       LYS   6  12.398  -2.145  -3.879
   35   3HZ   LYS   6          3HZ       LYS   6  12.291  -2.508  -5.530
   36    H    GLU   7           H        GLU   7  10.485   4.369  -3.757
   37    HA   GLU   7           HA       GLU   7   9.698   6.267  -2.015
   38   1HB   GLU   7          2HB       GLU   7   9.281   6.261  -4.469
   39   1HG   GLU   7          2HG       GLU   7   6.772   6.838  -2.914
   40    H    LEU   8           H        LEU   8   8.664   6.247  -0.131
   41    HA   LEU   8           HA       LEU   8   6.974   3.953   0.499
   42   1HB   LEU   8          2HB       LEU   8   8.341   5.979   2.250
   43    HG   LEU   8           HG       LEU   8   9.837   4.238   1.342
   44   1HD1  LEU   8          1HD1      LEU   8   9.242   3.951   4.282
   45   2HD1  LEU   8          2HD1      LEU   8  10.734   3.469   3.480
   46   3HD1  LEU   8          3HD1      LEU   8  10.283   5.171   3.546
   47   1HD2  LEU   8          1HD2      LEU   8   9.526   1.905   2.087
   48   2HD2  LEU   8          2HD2      LEU   8   7.935   2.347   2.706
   49   3HD2  LEU   8          3HD2      LEU   8   8.269   2.453   0.975
   50    H    VAL   9           H        VAL   9   5.165   4.205   1.886
   51    HA   VAL   9           HA       VAL   9   3.765   6.775   1.828
   52    HB   VAL   9           HB       VAL   9   1.612   5.376   1.362
   53   1HG1  VAL   9          1HG1      VAL   9   1.807   5.804  -1.038
   54   2HG1  VAL   9          2HG1      VAL   9   2.355   7.168  -0.065
   55   3HG1  VAL   9          3HG1      VAL   9   3.534   6.106  -0.834
   56   1HG2  VAL   9          1HG2      VAL   9   1.954   3.535  -0.210
   57   2HG2  VAL   9          2HG2      VAL   9   3.699   3.679   0.005
   58   3HG2  VAL   9          3HG2      VAL   9   2.681   3.194   1.360
   59    H    LEU  10           H        LEU  10   1.868   6.766   3.249
   60    HA   LEU  10           HA       LEU  10   2.263   4.978   5.558
   61   1HB   LEU  10          2HB       LEU  10   2.675   7.330   6.075
   62    HG   LEU  10           HG       LEU  10   0.161   6.191   7.250
   63   1HD1  LEU  10          1HD1      LEU  10   1.527   6.005   9.249
   64   2HD1  LEU  10          2HD1      LEU  10   2.301   5.198   7.887
   65   3HD1  LEU  10          3HD1      LEU  10   2.876   6.777   8.415
   66   1HD2  LEU  10          1HD2      LEU  10   0.185   8.038   8.881
   67   2HD2  LEU  10          2HD2      LEU  10   1.394   8.862   7.895
   68   3HD2  LEU  10          3HD2      LEU  10  -0.220   8.564   7.245
   69    H    ALA  11           H        ALA  11   0.543   3.818   6.310
   70    HA   ALA  11           HA       ALA  11  -1.892   3.852   4.742
   71   1HB   ALA  11          1HB       ALA  11  -0.778   1.748   5.590
   72   2HB   ALA  11          2HB       ALA  11  -1.341   2.199   7.201
   73   3HB   ALA  11          3HB       ALA  11  -2.507   1.881   5.915
   74    H    LEU  12           H        LEU  12  -3.393   5.349   5.187
   75    HA   LEU  12           HA       LEU  12  -3.552   6.719   7.679
   76   1HB   LEU  12          2HB       LEU  12  -5.251   6.680   5.206
   77    HG   LEU  12           HG       LEU  12  -3.646   8.857   6.526
   78   1HD1  LEU  12          1HD1      LEU  12  -3.354   7.438   3.901
   79   2HD1  LEU  12          2HD1      LEU  12  -2.461   8.887   4.366
   80   3HD1  LEU  12          3HD1      LEU  12  -2.249   7.392   5.278
   81   1HD2  LEU  12          1HD2      LEU  12  -4.395  10.254   4.624
   82   2HD2  LEU  12          2HD2      LEU  12  -5.508   8.966   4.157
   83   3HD2  LEU  12          3HD2      LEU  12  -5.716   9.793   5.701
   84    H    TYR  13           H        TYR  13  -5.343   4.059   6.235
   85    HA   TYR  13           HA       TYR  13  -6.953   3.924   8.694
   86   1HB   TYR  13          2HB       TYR  13  -7.960   3.023   5.999
   87    HD1  TYR  13           1HD      TYR  13  -9.087   5.688   8.299
   88    HD2  TYR  13           2HD      TYR  13  -7.708   4.735   4.397
   89    HE1  TYR  13           1HE      TYR  13  -9.623   7.971   7.568
   90    HE2  TYR  13           2HE      TYR  13  -8.225   7.024   3.649
   91    HH   TYR  13           HH       TYR  13  -9.779   8.896   4.346
   92    H    ASP  14           H        ASP  14  -7.917   1.702   8.980
   93    HA   ASP  14           HA       ASP  14  -5.812  -0.277   8.604
   94   1HB   ASP  14          2HB       ASP  14  -7.051   0.240  10.835
   95    H    TYR  15           H        TYR  15  -5.950  -1.625   6.914
   96    HA   TYR  15           HA       TYR  15  -8.584  -1.908   5.621
   97   1HB   TYR  15          2HB       TYR  15  -6.926  -0.529   4.356
   98    HD1  TYR  15           1HD      TYR  15  -6.032  -3.277   2.391
   99    HD2  TYR  15           2HD      TYR  15  -9.397  -0.902   3.456
  100    HE1  TYR  15           1HE      TYR  15  -7.177  -3.998   0.350
  101    HE2  TYR  15           2HE      TYR  15 -10.560  -1.624   1.398
  102    HH   TYR  15           HH       TYR  15 -10.539  -3.119  -0.279
  103    H    GLN  16           H        GLN  16  -9.066  -3.867   4.603
  104    HA   GLN  16           HA       GLN  16  -7.478  -6.197   5.498
  105   1HB   GLN  16          2HB       GLN  16  -9.544  -5.899   6.837
  106   1HG   GLN  16          2HG       GLN  16 -10.771  -8.032   6.263
  107   1HE2  GLN  16          1HE2      GLN  16  -7.513  -8.878   5.500
  108   2HE2  GLN  16          2HE2      GLN  16  -7.054  -9.360   7.094
  109    H    GLU  17           H        GLU  17  -6.853  -7.455   3.835
  110    HA   GLU  17           HA       GLU  17  -7.409  -6.819   1.169
  111   1HB   GLU  17          2HB       GLU  17  -6.274  -8.919   0.609
  112   1HG   GLU  17          2HG       GLU  17  -6.575  -9.528   3.530
  113    H    LYS  18           H        LYS  18  -8.792  -7.575  -0.318
  114    HA   LYS  18           HA       LYS  18 -11.126  -9.043   0.656
  115   1HB   LYS  18          2HB       LYS  18 -10.688  -7.496  -1.910
  116   1HG   LYS  18          2HG       LYS  18 -12.420  -6.751   0.444
  117   1HD   LYS  18          2HD       LYS  18 -13.178  -5.992  -1.802
  118   1HE   LYS  18          2HE       LYS  18 -10.619  -4.403  -1.819
  119   1HZ   LYS  18          1HZ       LYS  18 -12.639  -3.460  -2.939
  120   2HZ   LYS  18          2HZ       LYS  18 -12.584  -4.782  -4.003
  121   3HZ   LYS  18          3HZ       LYS  18 -11.296  -3.692  -3.940
  122    H    SER  19           H        SER  19  -8.738  -9.081  -1.943
  123    HA   SER  19           HA       SER  19  -9.335 -11.903  -2.428
  124   1HB   SER  19          2HB       SER  19  -9.035 -11.361  -4.911
  125    HG   SER  19           HG       SER  19  -9.922  -8.946  -4.988
  126    HA   PRO  20           HA       PRO  20  -4.923 -12.572  -2.754
  127   1HB   PRO  20          2HB       PRO  20  -5.183 -13.095  -5.682
  128   1HG   PRO  20          2HG       PRO  20  -6.737 -14.825  -5.358
  129   1HD   PRO  20          2HD       PRO  20  -7.923 -12.825  -5.235
  130    H    ALA  21           H        ALA  21  -6.393 -10.423  -5.066
  131    HA   ALA  21           HA       ALA  21  -3.932  -9.237  -5.963
  132   1HB   ALA  21          1HB       ALA  21  -5.346  -7.636  -7.123
  133   2HB   ALA  21          2HB       ALA  21  -5.917  -9.283  -7.397
  134   3HB   ALA  21          3HB       ALA  21  -6.763  -8.237  -6.257
  135    H    GLU  22           H        GLU  22  -6.115  -8.771  -3.341
  136    HA   GLU  22           HA       GLU  22  -5.113  -6.082  -2.771
  137   1HB   GLU  22          2HB       GLU  22  -7.288  -7.738  -1.475
  138   1HG   GLU  22          2HG       GLU  22  -7.910  -6.575  -3.594
  139    H    VAL  23           H        VAL  23  -4.144  -5.556  -0.740
  140    HA   VAL  23           HA       VAL  23  -3.232  -7.880   0.828
  141    HB   VAL  23           HB       VAL  23  -1.176  -6.502   1.420
  142   1HG1  VAL  23          1HG1      VAL  23   0.061  -7.239  -0.540
  143   2HG1  VAL  23          2HG1      VAL  23  -1.074  -8.473   0.011
  144   3HG1  VAL  23          3HG1      VAL  23  -1.456  -7.494  -1.406
  145   1HG2  VAL  23          1HG2      VAL  23  -0.444  -4.872  -0.276
  146   2HG2  VAL  23          2HG2      VAL  23  -2.029  -4.986  -1.039
  147   3HG2  VAL  23          3HG2      VAL  23  -1.881  -4.349   0.600
  148    H    THR  24           H        THR  24  -2.930  -7.546   3.057
  149    HA   THR  24           HA       THR  24  -4.800  -5.578   4.115
  150    HB   THR  24           HB       THR  24  -3.395  -7.882   5.472
  151    HG1  THR  24           1HG      THR  24  -4.916  -8.886   4.384
  152   1HG2  THR  24          1HG2      THR  24  -5.625  -6.149   6.527
  153   2HG2  THR  24          2HG2      THR  24  -3.939  -6.040   7.028
  154   3HG2  THR  24          3HG2      THR  24  -4.862  -7.505   7.355
  155    H    MET  25           H        MET  25  -4.273  -3.875   5.320
  156    HA   MET  25           HA       MET  25  -1.539  -3.586   6.334
  157   1HB   MET  25          2HB       MET  25  -1.400  -1.282   5.525
  158   1HG   MET  25          2HG       MET  25  -3.930  -1.777   3.967
  159   1HE   MET  25          1HE       MET  25  -0.953  -0.871   2.899
  160   2HE   MET  25          2HE       MET  25  -2.308  -1.040   1.783
  161   3HE   MET  25          3HE       MET  25  -1.367   0.451   1.807
  162    H    LYS  26           H        LYS  26  -1.399  -1.968   8.054
  163    HA   LYS  26           HA       LYS  26  -4.037  -1.437   9.274
  164   1HB   LYS  26          2HB       LYS  26  -1.431  -1.980  10.738
  165   1HG   LYS  26          2HG       LYS  26  -2.854  -3.862  11.765
  166   1HD   LYS  26          2HD       LYS  26  -2.186  -5.452  10.008
  167   1HE   LYS  26          2HE       LYS  26  -0.345  -3.339  10.995
  168   1HZ   LYS  26          1HZ       LYS  26   0.346  -5.340   8.928
  169   2HZ   LYS  26          2HZ       LYS  26   1.503  -4.730  10.002
  170   3HZ   LYS  26          3HZ       LYS  26   0.688  -3.675   8.950
  171    H    LYS  27           H        LYS  27  -4.274   0.606  10.288
  172    HA   LYS  27           HA       LYS  27  -2.951   2.735   9.128
  173   1HB   LYS  27          2HB       LYS  27  -3.942   4.181  10.781
  174   1HG   LYS  27          2HG       LYS  27  -3.376   2.746  12.742
  175   1HD   LYS  27          2HD       LYS  27  -5.996   1.406  12.170
  176   1HE   LYS  27          2HE       LYS  27  -3.678   0.662  13.951
  177   1HZ   LYS  27          1HZ       LYS  27  -6.394  -0.512  13.927
  178   2HZ   LYS  27          2HZ       LYS  27  -5.012  -1.091  14.717
  179   3HZ   LYS  27          3HZ       LYS  27  -5.123  -1.171  13.022
  180    H    GLY  28           H        GLY  28  -1.200   3.974   9.668
  181   1HA   GLY  28          1HA       GLY  28   0.705   4.581  10.882
  182   2HA   GLY  28          2HA       GLY  28   0.328   3.323  12.058
  183    H    ASP  29           H        ASP  29   0.106   2.006   9.017
  184    HA   ASP  29           HA       ASP  29   2.702   0.730   9.229
  185   1HB   ASP  29          2HB       ASP  29   0.222   0.222   7.685
  186    H    ILE  30           H        ILE  30   4.376   0.992   7.838
  187    HA   ILE  30           HA       ILE  30   4.122   3.160   5.888
  188    HB   ILE  30           HB       ILE  30   6.532   1.959   7.249
  189   1HG1  ILE  30          2HG1      ILE  30   7.018   4.332   7.795
  190   1HG2  ILE  30          1HG2      ILE  30   6.556   3.792   4.865
  191   2HG2  ILE  30          2HG2      ILE  30   7.966   3.337   5.821
  192   3HG2  ILE  30          3HG2      ILE  30   7.095   2.114   4.896
  193   1HD1  ILE  30          1HD1      ILE  30   5.237   4.785   9.385
  194   2HD1  ILE  30          2HD1      ILE  30   4.253   3.515   8.653
  195   3HD1  ILE  30          3HD1      ILE  30   5.767   3.105   9.466
  196    H    LEU  31           H        LEU  31   3.624   2.523   3.964
  197    HA   LEU  31           HA       LEU  31   4.222  -0.202   3.068
  198   1HB   LEU  31          2HB       LEU  31   2.252   1.904   2.291
  199    HG   LEU  31           HG       LEU  31   0.587   0.241   2.360
  200   1HD1  LEU  31          1HD1      LEU  31   1.747  -1.509   1.167
  201   2HD1  LEU  31          2HD1      LEU  31   2.794  -1.795   2.560
  202   3HD1  LEU  31          3HD1      LEU  31   1.070  -2.137   2.670
  203   1HD2  LEU  31          1HD2      LEU  31   2.485  -0.286   4.640
  204   2HD2  LEU  31          2HD2      LEU  31   1.271   0.994   4.567
  205   3HD2  LEU  31          3HD2      LEU  31   0.771  -0.698   4.611
  206    H    THR  32           H        THR  32   5.180  -0.576   1.031
  207    HA   THR  32           HA       THR  32   6.749   1.652  -0.015
  208    HB   THR  32           HB       THR  32   6.916  -1.277  -0.753
  209    HG1  THR  32           1HG      THR  32   8.939  -0.182   0.772
  210   1HG2  THR  32          1HG2      THR  32   7.844   0.245  -2.422
  211   2HG2  THR  32          2HG2      THR  32   9.131  -0.641  -1.603
  212   3HG2  THR  32          3HG2      THR  32   8.806   1.040  -1.174
  213    H    LEU  33           H        LEU  33   6.165   2.660  -1.862
  214    HA   LEU  33           HA       LEU  33   3.858   1.718  -3.310
  215   1HB   LEU  33          2HB       LEU  33   5.456   4.179  -3.244
  216    HG   LEU  33           HG       LEU  33   3.188   4.150  -2.321
  217   1HD1  LEU  33          1HD1      LEU  33   3.518   5.840  -4.792
  218   2HD1  LEU  33          2HD1      LEU  33   2.312   6.113  -3.537
  219   3HD1  LEU  33          3HD1      LEU  33   4.025   6.251  -3.156
  220   1HD2  LEU  33          1HD2      LEU  33   2.329   3.573  -5.158
  221   2HD2  LEU  33          2HD2      LEU  33   2.182   2.476  -3.785
  222   3HD2  LEU  33          3HD2      LEU  33   1.253   3.976  -3.822
  223    H    LEU  34           H        LEU  34   3.855   0.433  -4.963
  224    HA   LEU  34           HA       LEU  34   6.378  -0.111  -6.368
  225   1HB   LEU  34          2HB       LEU  34   3.835  -1.726  -6.421
  226    HG   LEU  34           HG       LEU  34   4.655  -1.730  -4.106
  227   1HD1  LEU  34          1HD1      LEU  34   4.882  -4.153  -3.881
  228   2HD1  LEU  34          2HD1      LEU  34   3.612  -3.723  -5.026
  229   3HD1  LEU  34          3HD1      LEU  34   5.176  -4.286  -5.615
  230   1HD2  LEU  34          1HD2      LEU  34   6.995  -1.198  -4.554
  231   2HD2  LEU  34          2HD2      LEU  34   6.853  -2.667  -3.590
  232   3HD2  LEU  34          3HD2      LEU  34   7.215  -2.773  -5.313
  233    H    ASN  35           H        ASN  35   2.953   0.583  -6.829
  234    HA   ASN  35           HA       ASN  35   3.507   1.721  -9.450
  235   1HB   ASN  35          2HB       ASN  35   2.999  -0.707  -9.800
  236   1HD2  ASN  35          1HD2      ASN  35   2.146  -1.382 -11.719
  237   2HD2  ASN  35          2HD2      ASN  35   1.418  -0.287 -12.846
  238    H    SER  36           H        SER  36   2.507   3.616  -9.478
  239    HA   SER  36           HA       SER  36  -0.066   3.880  -8.109
  240   1HB   SER  36          2HB       SER  36   0.716   6.208  -7.434
  241    HG   SER  36           HG       SER  36   3.333   5.378  -7.423
  242    H    THR  37           H        THR  37   0.747   3.535 -10.969
  243    HA   THR  37           HA       THR  37   0.149   6.091 -12.183
  244    HB   THR  37           HB       THR  37   1.611   4.354 -13.287
  245    HG1  THR  37           1HG      THR  37   0.669   6.074 -14.501
  246   1HG2  THR  37          1HG2      THR  37   0.536   2.563 -14.541
  247   2HG2  THR  37          2HG2      THR  37  -1.031   3.012 -13.868
  248   3HG2  THR  37          3HG2      THR  37   0.235   2.382 -12.814
  249    H    ASN  38           H        ASN  38  -1.606   3.725 -10.672
  250    HA   ASN  38           HA       ASN  38  -4.094   4.280 -12.102
  251   1HB   ASN  38          2HB       ASN  38  -3.530   1.940 -11.363
  252   1HD2  ASN  38          1HD2      ASN  38  -5.188   0.459 -11.133
  253   2HD2  ASN  38          2HD2      ASN  38  -6.839   0.931 -10.907
  254    H    LYS  39           H        LYS  39  -5.739   5.463 -11.126
  255    HA   LYS  39           HA       LYS  39  -4.695   7.292  -9.103
  256   1HB   LYS  39          2HB       LYS  39  -7.120   7.606 -10.835
  257   1HG   LYS  39          2HG       LYS  39  -4.367   8.754 -11.240
  258   1HD   LYS  39          2HD       LYS  39  -5.306   9.726 -13.285
  259   1HE   LYS  39          2HE       LYS  39  -6.855  10.558 -10.839
  260   1HZ   LYS  39          1HZ       LYS  39  -6.866  12.709 -11.842
  261   2HZ   LYS  39          2HZ       LYS  39  -7.521  11.608 -12.956
  262   3HZ   LYS  39          3HZ       LYS  39  -5.933  12.172 -13.154
  263    H    ASP  40           H        ASP  40  -6.767   4.676  -9.293
  264    HA   ASP  40           HA       ASP  40  -8.227   5.562  -6.890
  265   1HB   ASP  40          2HB       ASP  40  -8.937   3.473  -8.956
  266    H    TRP  41           H        TRP  41  -6.125   3.128  -8.217
  267    HA   TRP  41           HA       TRP  41  -6.037   1.790  -5.588
  268   1HB   TRP  41          2HB       TRP  41  -5.957   0.486  -8.321
  269    HD1  TRP  41           HD       TRP  41  -8.502   1.162  -8.828
  270    HE1  TRP  41           1HE      TRP  41 -10.728   0.278  -7.885
  271    HE3  TRP  41           3HE      TRP  41  -6.722  -1.258  -4.695
  272    HZ2  TRP  41           2HZ      TRP  41 -11.608  -1.247  -5.689
  273    HZ3  TRP  41           3HZ      TRP  41  -8.322  -2.429  -3.227
  274    HH2  TRP  41           HH       TRP  41 -10.715  -2.405  -3.716
  275    H    TRP  42           H        TRP  42  -4.024   1.525  -4.755
  276    HA   TRP  42           HA       TRP  42  -1.763   2.050  -6.568
  277   1HB   TRP  42          2HB       TRP  42  -2.205   2.895  -3.716
  278    HD1  TRP  42           HD       TRP  42  -2.661   3.886  -7.113
  279    HE1  TRP  42           1HE      TRP  42  -2.486   6.420  -7.446
  280    HE3  TRP  42           3HE      TRP  42  -0.400   5.135  -2.713
  281    HZ2  TRP  42           2HZ      TRP  42  -1.531   8.662  -6.026
  282    HZ3  TRP  42           3HZ      TRP  42   0.112   7.511  -2.270
  283    HH2  TRP  42           HH       TRP  42  -0.447   9.225  -3.901
  284    H    LYS  43           H        LYS  43  -0.321   0.524  -6.789
  285    HA   LYS  43           HA       LYS  43  -0.607  -1.946  -5.308
  286   1HB   LYS  43          2HB       LYS  43  -0.165  -1.801  -7.795
  287   1HG   LYS  43          2HG       LYS  43   1.939  -3.315  -6.265
  288   1HD   LYS  43          2HD       LYS  43   0.841  -3.476  -9.066
  289   1HE   LYS  43          2HE       LYS  43   2.453  -5.695  -7.781
  290   1HZ   LYS  43          1HZ       LYS  43   1.917  -6.819  -9.871
  291   2HZ   LYS  43          2HZ       LYS  43   2.890  -5.453 -10.100
  292   3HZ   LYS  43          3HZ       LYS  43   1.236  -5.382 -10.470
  293    H    VAL  44           H        VAL  44   0.442  -2.337  -3.497
  294    HA   VAL  44           HA       VAL  44   2.979  -0.954  -2.973
  295    HB   VAL  44           HB       VAL  44   2.260  -0.638  -0.598
  296   1HG1  VAL  44          1HG1      VAL  44   0.600   0.781  -2.679
  297   2HG1  VAL  44          2HG1      VAL  44   0.839   1.326  -1.020
  298   3HG1  VAL  44          3HG1      VAL  44   2.211   1.244  -2.128
  299   1HG2  VAL  44          1HG2      VAL  44  -0.121  -0.725  -0.055
  300   2HG2  VAL  44          2HG2      VAL  44  -0.475  -1.336  -1.670
  301   3HG2  VAL  44          3HG2      VAL  44   0.476  -2.308  -0.548
  302    H    GLU  45           H        GLU  45   4.172  -1.899  -1.149
  303    HA   GLU  45           HA       GLU  45   3.687  -4.793  -0.879
  304   1HB   GLU  45          2HB       GLU  45   5.664  -4.305  -2.264
  305   1HG   GLU  45          2HG       GLU  45   6.585  -5.241   0.445
  306    H    VAL  46           H        VAL  46   3.135  -5.330   1.143
  307    HA   VAL  46           HA       VAL  46   4.185  -3.709   3.366
  308    HB   VAL  46           HB       VAL  46   2.501  -5.742   4.378
  309   1HG1  VAL  46          1HG1      VAL  46   1.308  -3.931   5.343
  310   2HG1  VAL  46          2HG1      VAL  46   3.020  -3.497   5.299
  311   3HG1  VAL  46          3HG1      VAL  46   1.905  -2.810   4.116
  312   1HG2  VAL  46          1HG2      VAL  46   1.209  -4.213   2.133
  313   2HG2  VAL  46          2HG2      VAL  46   1.497  -5.953   2.196
  314   3HG2  VAL  46          3HG2      VAL  46   0.366  -5.205   3.326
  315    H    ASN  47           H        ASN  47   6.096  -4.435   3.913
  316    HA   ASN  47           HA       ASN  47   7.688  -5.735   4.864
  317   1HB   ASN  47          2HB       ASN  47   5.435  -7.722   5.251
  318   1HD2  ASN  47          1HD2      ASN  47   3.954  -6.305   6.117
  319   2HD2  ASN  47          2HD2      ASN  47   4.225  -5.459   7.593
  320    H    ASP  48           H        ASP  48   5.589  -7.663   2.792
  321    HA   ASP  48           HA       ASP  48   7.678  -8.243   0.946
  322   1HB   ASP  48          2HB       ASP  48   8.202  -9.900   2.736
  323    H    ARG  49           H        ARG  49   4.441  -8.137   1.956
  324    HA   ARG  49           HA       ARG  49   3.452  -9.785  -0.218
  325   1HB   ARG  49          2HB       ARG  49   2.016  -8.291   1.979
  326   1HG   ARG  49          2HG       ARG  49   3.149 -10.305   2.776
  327   1HD   ARG  49          2HD       ARG  49   2.246 -12.520   1.966
  328    HE   ARG  49           HE       ARG  49   4.462 -11.446   1.140
  329   1HH1  ARG  49          2HH1      ARG  49   1.867 -12.706  -0.866
  330   2HH1  ARG  49          1HH1      ARG  49   2.930 -13.090  -2.195
  331   1HH2  ARG  49          2HH2      ARG  49   5.838 -11.937  -0.620
  332   2HH2  ARG  49          1HH2      ARG  49   5.162 -12.665  -2.052
  333    H    GLN  50           H        GLN  50   3.300  -8.965  -2.144
  334    HA   GLN  50           HA       GLN  50   2.959  -6.077  -2.474
  335   1HB   GLN  50          2HB       GLN  50   3.900  -8.251  -4.344
  336   1HG   GLN  50          2HG       GLN  50   5.278  -5.759  -3.359
  337   1HE2  GLN  50          1HE2      GLN  50   7.807  -7.107  -3.401
  338   2HE2  GLN  50          2HE2      GLN  50   8.253  -7.286  -5.070
  339    H    GLY  51           H        GLY  51   0.992  -5.347  -2.809
  340   1HA   GLY  51          1HA       GLY  51  -0.806  -6.732  -4.619
  341   2HA   GLY  51          2HA       GLY  51  -1.338  -6.673  -2.946
  342    H    PHE  52           H        PHE  52  -3.134  -5.503  -4.154
  343    HA   PHE  52           HA       PHE  52  -2.454  -2.678  -4.545
  344   1HB   PHE  52          2HB       PHE  52  -4.840  -4.316  -5.400
  345    HD1  PHE  52           1HD      PHE  52  -3.437  -1.452  -7.149
  346    HD2  PHE  52           2HD      PHE  52  -3.479  -5.697  -6.847
  347    HE1  PHE  52           1HE      PHE  52  -2.366  -1.621  -9.363
  348    HE2  PHE  52           2HE      PHE  52  -2.402  -5.876  -9.050
  349    HZ   PHE  52           HZ       PHE  52  -1.846  -3.834 -10.313
  350    H    VAL  53           H        VAL  53  -3.510  -1.083  -3.462
  351    HA   VAL  53           HA       VAL  53  -5.692  -1.793  -1.656
  352    HB   VAL  53           HB       VAL  53  -4.827  -0.365   0.133
  353   1HG1  VAL  53          1HG1      VAL  53  -4.276  -2.755   0.166
  354   2HG1  VAL  53          2HG1      VAL  53  -2.782  -2.404  -0.704
  355   3HG1  VAL  53          3HG1      VAL  53  -3.019  -1.776   0.928
  356   1HG2  VAL  53          1HG2      VAL  53  -2.481   0.441   0.054
  357   2HG2  VAL  53          2HG2      VAL  53  -2.411  -0.049  -1.641
  358   3HG2  VAL  53          3HG2      VAL  53  -3.531   1.217  -1.133
  359    HA   PRO  54           HA       PRO  54  -7.645   1.932  -3.168
  360   1HB   PRO  54          2HB       PRO  54  -7.977   2.598  -0.280
  361   1HG   PRO  54          2HG       PRO  54  -9.127   0.629   0.207
  362   1HD   PRO  54          2HD       PRO  54  -6.924  -0.056   0.139
  363    H    ALA  55           H        ALA  55  -6.576   3.668  -3.888
  364    HA   ALA  55           HA       ALA  55  -4.191   4.658  -2.762
  365   1HB   ALA  55          1HB       ALA  55  -6.075   5.980  -4.708
  366   2HB   ALA  55          2HB       ALA  55  -4.424   6.496  -4.366
  367   3HB   ALA  55          3HB       ALA  55  -4.720   4.929  -5.120
  368    H    ALA  56           H        ALA  56  -7.507   5.320  -2.094
  369    HA   ALA  56           HA       ALA  56  -7.110   7.882  -0.874
  370   1HB   ALA  56          1HB       ALA  56  -9.409   7.685  -0.144
  371   2HB   ALA  56          2HB       ALA  56  -9.273   7.191  -1.831
  372   3HB   ALA  56          3HB       ALA  56  -9.423   5.972  -0.564
  373    H    TYR  57           H        TYR  57  -6.147   4.863   0.073
  374    HA   TYR  57           HA       TYR  57  -6.673   5.371   2.929
  375   1HB   TYR  57          2HB       TYR  57  -6.155   2.857   1.373
  376    HD1  TYR  57           1HD      TYR  57  -7.422   1.869   4.363
  377    HD2  TYR  57           2HD      TYR  57  -8.619   4.098   0.932
  378    HE1  TYR  57           1HE      TYR  57  -9.771   1.373   4.868
  379    HE2  TYR  57           2HE      TYR  57 -10.970   3.616   1.436
  380    HH   TYR  57           HH       TYR  57 -12.268   1.847   2.666
  381    H    VAL  58           H        VAL  58  -4.338   5.984   0.771
  382    HA   VAL  58           HA       VAL  58  -2.194   5.492   2.703
  383    HB   VAL  58           HB       VAL  58  -2.590   4.170   0.210
  384   1HG1  VAL  58          1HG1      VAL  58  -1.340   5.868  -0.889
  385   2HG1  VAL  58          2HG1      VAL  58  -0.080   5.808   0.344
  386   3HG1  VAL  58          3HG1      VAL  58  -0.322   4.434  -0.734
  387   1HG2  VAL  58          1HG2      VAL  58  -1.884   3.100   2.265
  388   2HG2  VAL  58          2HG2      VAL  58  -0.731   2.797   0.966
  389   3HG2  VAL  58          3HG2      VAL  58  -0.359   3.985   2.217
  390    H    LYS  59           H        LYS  59  -0.464   6.954   2.627
  391    HA   LYS  59           HA       LYS  59  -0.918   9.361   0.975
  392   1HB   LYS  59          2HB       LYS  59  -1.609   9.791   3.280
  393   1HG   LYS  59          2HG       LYS  59   0.907  11.122   2.372
  394   1HD   LYS  59          2HD       LYS  59   0.493  12.795   4.198
  395   1HE   LYS  59          2HE       LYS  59   1.305  10.004   5.016
  396   1HZ   LYS  59          1HZ       LYS  59   2.477  11.078   6.828
  397   2HZ   LYS  59          2HZ       LYS  59   0.816  11.406   6.946
  398   3HZ   LYS  59          3HZ       LYS  59   1.872  12.594   6.366
  399    H    LYS  60           H        LYS  60   0.775  10.032  -0.141
  400    HA   LYS  60           HA       LYS  60   3.309   8.947  -0.291
  401   1HB   LYS  60          2HB       LYS  60   2.088  11.513  -1.023
  402   1HG   LYS  60          2HG       LYS  60   3.296  11.364  -3.039
  403   1HD   LYS  60          2HD       LYS  60   2.660   8.495  -2.491
  404   1HE   LYS  60          2HE       LYS  60   1.832   8.608  -4.805
  405   1HZ   LYS  60          1HZ       LYS  60   4.573   9.733  -4.539
  406   2HZ   LYS  60          2HZ       LYS  60   3.937   8.990  -5.923
  407   3HZ   LYS  60          3HZ       LYS  60   4.174   8.086  -4.516
  408    H    LEU  61           H        LEU  61   4.840   8.695   1.251
  409    HA   LEU  61           HA       LEU  61   5.107  10.698   3.368
  410   1HB   LEU  61          2HB       LEU  61   6.641   8.150   2.839
  411    HG   LEU  61           HG       LEU  61   4.319   7.777   3.704
  412   1HD1  LEU  61          1HD1      LEU  61   6.610   7.086   5.528
  413   2HD1  LEU  61          2HD1      LEU  61   5.040   6.284   5.498
  414   3HD1  LEU  61          3HD1      LEU  61   6.106   6.189   4.096
  415   1HD2  LEU  61          1HD2      LEU  61   3.940   9.687   5.072
  416   2HD2  LEU  61          2HD2      LEU  61   4.021   8.298   6.149
  417   3HD2  LEU  61          3HD2      LEU  61   5.404   9.384   6.009
  418    H    ASP  62           H        ASP  62   6.267  10.064   0.303
  419    HA   ASP  62           HA       ASP  62   8.728  11.595   0.726
  420   1HB   ASP  62          2HB       ASP  62   8.976   9.325  -0.270
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1  20.295  -6.059   0.606
    2   2H    MET   1          2H        MET   1  19.774  -5.547   2.136
    3   3H    MET   1          3H        MET   1  19.266  -4.718   0.745
    4    HA   MET   1           HA       MET   1  18.058  -6.669  -0.003
    5   1HB   MET   1          2HB       MET   1  18.801  -7.795   2.709
    6   1HG   MET   1          2HG       MET   1  20.735  -7.959   1.283
    7   1HE   MET   1          1HE       MET   1  21.450 -10.424  -0.601
    8   2HE   MET   1          2HE       MET   1  21.478  -9.600  -2.161
    9   3HE   MET   1          3HE       MET   1  22.148  -8.810  -0.734
   10    H    ASP   2           H        ASP   2  17.278  -4.255   0.659
   11    HA   ASP   2           HA       ASP   2  15.349  -4.574   2.870
   12   1HB   ASP   2          2HB       ASP   2  16.411  -1.877   2.027
   13    H    GLU   3           H        GLU   3  13.429  -4.959   1.883
   14    HA   GLU   3           HA       GLU   3  12.780  -3.785  -0.676
   15   1HB   GLU   3          2HB       GLU   3  11.366  -5.612   1.242
   16   1HG   GLU   3          2HG       GLU   3  11.213  -7.086  -0.693
   17    H    THR   4           H        THR   4  12.989  -2.190   2.052
   18    HA   THR   4           HA       THR   4  10.559  -0.640   1.504
   19    HB   THR   4           HB       THR   4  10.622  -1.750   3.792
   20    HG1  THR   4           1HG      THR   4   9.379   0.197   3.188
   21   1HG2  THR   4          1HG2      THR   4  12.813  -1.482   4.595
   22   2HG2  THR   4          2HG2      THR   4  11.876  -0.306   5.511
   23   3HG2  THR   4          3HG2      THR   4  12.861   0.222   4.148
   24    H    GLY   5           H        GLY   5  13.282  -0.514   0.355
   25   1HA   GLY   5          1HA       GLY   5  14.068   2.201   1.196
   26   2HA   GLY   5          2HA       GLY   5  15.123   1.052   0.384
   27    H    LYS   6           H        LYS   6  11.886   2.382  -0.222
   28    HA   LYS   6           HA       LYS   6  12.721   3.342  -2.849
   29   1HB   LYS   6          2HB       LYS   6  10.222   1.639  -2.584
   30   1HG   LYS   6          2HG       LYS   6  12.794   0.566  -3.748
   31   1HD   LYS   6          2HD       LYS   6  10.043  -0.535  -3.314
   32   1HE   LYS   6          2HE       LYS   6  12.499  -2.167  -3.926
   33   1HZ   LYS   6          1HZ       LYS   6  11.070  -4.036  -3.671
   34   2HZ   LYS   6          2HZ       LYS   6  10.328  -2.989  -4.767
   35   3HZ   LYS   6          3HZ       LYS   6   9.769  -3.073  -3.166
   36    H    GLU   7           H        GLU   7  10.148   4.047  -3.737
   37    HA   GLU   7           HA       GLU   7   9.551   6.290  -2.099
   38   1HB   GLU   7          2HB       GLU   7   9.126   6.325  -4.517
   39   1HG   GLU   7          2HG       GLU   7   6.535   6.515  -3.003
   40    H    LEU   8           H        LEU   8   8.521   6.219  -0.201
   41    HA   LEU   8           HA       LEU   8   6.899   3.857   0.383
   42   1HB   LEU   8          2HB       LEU   8   8.156   5.881   2.227
   43    HG   LEU   8           HG       LEU   8   9.787   4.326   1.233
   44   1HD1  LEU   8          1HD1      LEU   8   9.190   3.810   4.139
   45   2HD1  LEU   8          2HD1      LEU   8  10.720   3.471   3.329
   46   3HD1  LEU   8          3HD1      LEU   8  10.158   5.135   3.490
   47   1HD2  LEU   8          1HD2      LEU   8   9.663   1.939   1.777
   48   2HD2  LEU   8          2HD2      LEU   8   8.059   2.199   2.465
   49   3HD2  LEU   8          3HD2      LEU   8   8.334   2.462   0.740
   50    H    VAL   9           H        VAL   9   5.106   4.109   1.853
   51    HA   VAL   9           HA       VAL   9   3.641   6.641   1.673
   52    HB   VAL   9           HB       VAL   9   1.528   5.173   1.260
   53   1HG1  VAL   9          1HG1      VAL   9   1.737   5.462  -1.161
   54   2HG1  VAL   9          2HG1      VAL   9   2.224   6.892  -0.255
   55   3HG1  VAL   9          3HG1      VAL   9   3.451   5.832  -0.953
   56   1HG2  VAL   9          1HG2      VAL   9   1.941   3.278  -0.251
   57   2HG2  VAL   9          2HG2      VAL   9   3.671   3.438   0.054
   58   3HG2  VAL   9          3HG2      VAL   9   2.580   3.014   1.373
   59    H    LEU  10           H        LEU  10   1.771   6.675   3.096
   60    HA   LEU  10           HA       LEU  10   2.239   5.065   5.520
   61   1HB   LEU  10          2HB       LEU  10   2.487   7.471   5.853
   62    HG   LEU  10           HG       LEU  10  -0.000   6.323   7.087
   63   1HD1  LEU  10          1HD1      LEU  10   1.377   6.360   9.118
   64   2HD1  LEU  10          2HD1      LEU  10   2.090   5.375   7.841
   65   3HD1  LEU  10          3HD1      LEU  10   2.729   6.983   8.174
   66   1HD2  LEU  10          1HD2      LEU  10  -0.390   8.695   6.909
   67   2HD2  LEU  10          2HD2      LEU  10  -0.032   8.273   8.586
   68   3HD2  LEU  10          3HD2      LEU  10   1.205   9.039   7.587
   69    H    ALA  11           H        ALA  11   0.560   3.875   6.382
   70    HA   ALA  11           HA       ALA  11  -1.845   3.638   4.792
   71   1HB   ALA  11          1HB       ALA  11  -2.430   1.797   6.213
   72   2HB   ALA  11          2HB       ALA  11  -0.713   1.662   5.843
   73   3HB   ALA  11          3HB       ALA  11  -1.232   2.269   7.420
   74    H    LEU  12           H        LEU  12  -3.323   5.178   5.023
   75    HA   LEU  12           HA       LEU  12  -3.583   6.800   7.333
   76   1HB   LEU  12          2HB       LEU  12  -5.205   6.459   4.829
   77    HG   LEU  12           HG       LEU  12  -3.643   8.821   5.868
   78   1HD1  LEU  12          1HD1      LEU  12  -3.172   6.966   3.557
   79   2HD1  LEU  12          2HD1      LEU  12  -2.324   8.495   3.801
   80   3HD1  LEU  12          3HD1      LEU  12  -2.153   7.196   4.981
   81   1HD2  LEU  12          1HD2      LEU  12  -4.269   9.902   3.766
   82   2HD2  LEU  12          2HD2      LEU  12  -5.257   8.506   3.339
   83   3HD2  LEU  12          3HD2      LEU  12  -5.697   9.504   4.724
   84    H    TYR  13           H        TYR  13  -5.324   3.965   6.161
   85    HA   TYR  13           HA       TYR  13  -6.862   3.971   8.666
   86   1HB   TYR  13          2HB       TYR  13  -8.171   3.160   6.080
   87    HD1  TYR  13           1HD      TYR  13  -8.969   6.013   8.318
   88    HD2  TYR  13           2HD      TYR  13  -7.780   4.769   4.431
   89    HE1  TYR  13           1HE      TYR  13  -9.316   8.302   7.484
   90    HE2  TYR  13           2HE      TYR  13  -8.109   7.049   3.585
   91    HH   TYR  13           HH       TYR  13  -9.205   9.055   4.085
   92    H    ASP  14           H        ASP  14  -7.944   1.823   9.000
   93    HA   ASP  14           HA       ASP  14  -6.154  -0.349   8.411
   94   1HB   ASP  14          2HB       ASP  14  -7.246  -0.265  10.593
   95    H    TYR  15           H        TYR  15  -6.319  -1.673   6.756
   96    HA   TYR  15           HA       TYR  15  -8.859  -1.804   5.291
   97   1HB   TYR  15          2HB       TYR  15  -7.435  -0.322   4.015
   98    HD1  TYR  15           1HD      TYR  15  -5.741  -2.838   2.283
   99    HD2  TYR  15           2HD      TYR  15  -9.655  -1.307   2.935
  100    HE1  TYR  15           1HE      TYR  15  -6.481  -3.845   0.173
  101    HE2  TYR  15           2HE      TYR  15 -10.409  -2.316   0.823
  102    HH   TYR  15           HH       TYR  15  -9.498  -3.106  -1.260
  103    H    GLN  16           H        GLN  16  -9.411  -3.789   4.490
  104    HA   GLN  16           HA       GLN  16  -7.577  -6.009   5.076
  105   1HB   GLN  16          2HB       GLN  16 -10.557  -5.697   5.273
  106   1HG   GLN  16          2HG       GLN  16  -9.209  -5.529   7.335
  107   1HE2  GLN  16          1HE2      GLN  16  -8.774  -8.577   5.647
  108   2HE2  GLN  16          2HE2      GLN  16  -7.437  -9.121   6.605
  109    H    GLU  17           H        GLU  17  -7.161  -7.434   3.466
  110    HA   GLU  17           HA       GLU  17  -7.452  -6.623   0.795
  111   1HB   GLU  17          2HB       GLU  17  -6.610  -8.879   0.228
  112   1HG   GLU  17          2HG       GLU  17  -6.807  -9.428   3.186
  113    H    LYS  18           H        LYS  18  -8.902  -7.093  -0.792
  114    HA   LYS  18           HA       LYS  18 -11.434  -8.217   0.127
  115   1HB   LYS  18          2HB       LYS  18 -10.790  -6.722  -2.431
  116   1HG   LYS  18          2HG       LYS  18 -12.200  -5.789   0.072
  117   1HD   LYS  18          2HD       LYS  18 -11.751  -4.402  -2.569
  118   1HE   LYS  18          2HE       LYS  18 -12.578  -3.312   0.116
  119   1HZ   LYS  18          1HZ       LYS  18 -12.637  -1.961  -2.527
  120   2HZ   LYS  18          2HZ       LYS  18 -12.859  -1.204  -1.032
  121   3HZ   LYS  18          3HZ       LYS  18 -13.982  -2.356  -1.575
  122    H    SER  19           H        SER  19  -9.094  -8.568  -2.497
  123    HA   SER  19           HA       SER  19  -9.765 -11.419  -2.561
  124   1HB   SER  19          2HB       SER  19  -9.383 -11.408  -5.030
  125    HG   SER  19           HG       SER  19  -9.121  -8.637  -4.562
  126    HA   PRO  20           HA       PRO  20  -5.444 -12.290  -2.205
  127   1HB   PRO  20          2HB       PRO  20  -5.387 -13.484  -4.939
  128   1HG   PRO  20          2HG       PRO  20  -7.125 -14.987  -4.464
  129   1HD   PRO  20          2HD       PRO  20  -8.123 -12.941  -4.959
  130    H    ALA  21           H        ALA  21  -6.458 -10.492  -4.975
  131    HA   ALA  21           HA       ALA  21  -3.831  -9.711  -5.825
  132   1HB   ALA  21          1HB       ALA  21  -5.711  -9.674  -7.385
  133   2HB   ALA  21          2HB       ALA  21  -6.505  -8.438  -6.405
  134   3HB   ALA  21          3HB       ALA  21  -4.987  -8.072  -7.224
  135    H    GLU  22           H        GLU  22  -6.064  -8.693  -3.410
  136    HA   GLU  22           HA       GLU  22  -4.631  -6.179  -2.969
  137   1HB   GLU  22          2HB       GLU  22  -7.170  -7.288  -1.751
  138   1HG   GLU  22          2HG       GLU  22  -8.062  -5.042  -2.537
  139    H    VAL  23           H        VAL  23  -3.843  -5.655  -0.837
  140    HA   VAL  23           HA       VAL  23  -3.269  -8.004   0.840
  141    HB   VAL  23           HB       VAL  23  -1.236  -6.694   1.650
  142   1HG1  VAL  23          1HG1      VAL  23  -1.250  -7.715  -1.182
  143   2HG1  VAL  23          2HG1      VAL  23   0.182  -7.480  -0.175
  144   3HG1  VAL  23          3HG1      VAL  23  -1.030  -8.678   0.281
  145   1HG2  VAL  23          1HG2      VAL  23  -1.830  -4.530   0.694
  146   2HG2  VAL  23          2HG2      VAL  23  -0.265  -5.082   0.099
  147   3HG2  VAL  23          3HG2      VAL  23  -1.692  -5.201  -0.929
  148    H    THR  24           H        THR  24  -3.061  -7.566   3.108
  149    HA   THR  24           HA       THR  24  -4.988  -5.565   3.962
  150    HB   THR  24           HB       THR  24  -3.662  -7.842   5.439
  151    HG1  THR  24           1HG      THR  24  -5.326  -8.948   4.755
  152   1HG2  THR  24          1HG2      THR  24  -5.197  -7.387   7.264
  153   2HG2  THR  24          2HG2      THR  24  -5.872  -6.015   6.387
  154   3HG2  THR  24          3HG2      THR  24  -4.203  -5.964   6.951
  155    H    MET  25           H        MET  25  -4.497  -3.774   5.065
  156    HA   MET  25           HA       MET  25  -1.784  -3.494   6.167
  157   1HB   MET  25          2HB       MET  25  -1.676  -1.177   5.423
  158   1HG   MET  25          2HG       MET  25  -4.133  -1.641   3.758
  159   1HE   MET  25          1HE       MET  25  -2.306  -0.737   1.818
  160   2HE   MET  25          2HE       MET  25  -1.501   0.824   1.960
  161   3HE   MET  25          3HE       MET  25  -1.057  -0.498   3.039
  162    H    LYS  26           H        LYS  26  -1.631  -1.918   7.892
  163    HA   LYS  26           HA       LYS  26  -4.221  -1.254   9.118
  164   1HB   LYS  26          2HB       LYS  26  -1.863  -2.585  10.427
  165   1HG   LYS  26          2HG       LYS  26  -3.708  -3.676  11.746
  166   1HD   LYS  26          2HD       LYS  26  -3.693  -4.099   8.762
  167   1HE   LYS  26          2HE       LYS  26  -4.393  -6.426   9.398
  168   1HZ   LYS  26          1HZ       LYS  26  -6.066  -5.057   8.485
  169   2HZ   LYS  26          2HZ       LYS  26  -6.259  -4.179   9.919
  170   3HZ   LYS  26          3HZ       LYS  26  -6.758  -5.799   9.843
  171    H    LYS  27           H        LYS  27  -4.314   0.654  10.259
  172    HA   LYS  27           HA       LYS  27  -3.025   2.861   9.282
  173   1HB   LYS  27          2HB       LYS  27  -4.995   3.223  10.507
  174   1HG   LYS  27          2HG       LYS  27  -4.433   4.549  12.564
  175   1HD   LYS  27          2HD       LYS  27  -2.871   5.221  10.075
  176   1HE   LYS  27          2HE       LYS  27  -3.825   6.874  12.403
  177   1HZ   LYS  27          1HZ       LYS  27  -2.761   7.798   9.787
  178   2HZ   LYS  27          2HZ       LYS  27  -2.968   8.780  11.152
  179   3HZ   LYS  27          3HZ       LYS  27  -4.316   8.086  10.397
  180    H    GLY  28           H        GLY  28  -1.087   3.733   9.478
  181   1HA   GLY  28          1HA       GLY  28   0.760   4.562  10.671
  182   2HA   GLY  28          2HA       GLY  28   0.393   3.439  11.975
  183    H    ASP  29           H        ASP  29   0.366   1.992   8.897
  184    HA   ASP  29           HA       ASP  29   2.970   0.779   9.447
  185   1HB   ASP  29          2HB       ASP  29   0.632  -0.435   8.742
  186    H    ILE  30           H        ILE  30   4.616   0.789   7.918
  187    HA   ILE  30           HA       ILE  30   4.378   2.921   5.937
  188    HB   ILE  30           HB       ILE  30   6.753   1.555   7.187
  189   1HG1  ILE  30          2HG1      ILE  30   7.425   3.854   7.750
  190   1HG2  ILE  30          1HG2      ILE  30   6.785   3.320   4.743
  191   2HG2  ILE  30          2HG2      ILE  30   8.210   2.867   5.678
  192   3HG2  ILE  30          3HG2      ILE  30   7.275   1.629   4.839
  193   1HD1  ILE  30          1HD1      ILE  30   5.947   2.740   9.363
  194   2HD1  ILE  30          2HD1      ILE  30   5.746   4.493   9.337
  195   3HD1  ILE  30          3HD1      ILE  30   4.552   3.458   8.550
  196    H    LEU  31           H        LEU  31   3.693   2.335   4.057
  197    HA   LEU  31           HA       LEU  31   4.211  -0.354   3.029
  198   1HB   LEU  31          2HB       LEU  31   2.304   1.840   2.341
  199    HG   LEU  31           HG       LEU  31   0.579   0.228   2.395
  200   1HD1  LEU  31          1HD1      LEU  31   1.006  -2.163   2.726
  201   2HD1  LEU  31          2HD1      LEU  31   1.649  -1.548   1.203
  202   3HD1  LEU  31          3HD1      LEU  31   2.734  -1.854   2.559
  203   1HD2  LEU  31          1HD2      LEU  31   1.261   0.952   4.602
  204   2HD2  LEU  31          2HD2      LEU  31   0.743  -0.733   4.643
  205   3HD2  LEU  31          3HD2      LEU  31   2.462  -0.337   4.677
  206    H    THR  32           H        THR  32   5.222  -0.708   1.074
  207    HA   THR  32           HA       THR  32   6.824   1.499   0.020
  208    HB   THR  32           HB       THR  32   6.935  -1.449  -0.663
  209    HG1  THR  32           1HG      THR  32   8.687  -1.531   0.758
  210   1HG2  THR  32          1HG2      THR  32   7.884  -0.091  -2.410
  211   2HG2  THR  32          2HG2      THR  32   9.187  -0.870  -1.510
  212   3HG2  THR  32          3HG2      THR  32   8.817   0.833  -1.231
  213    H    LEU  33           H        LEU  33   6.292   2.466  -1.907
  214    HA   LEU  33           HA       LEU  33   3.938   1.475  -3.275
  215   1HB   LEU  33          2HB       LEU  33   5.393   3.999  -3.186
  216    HG   LEU  33           HG       LEU  33   3.096   3.876  -2.392
  217   1HD1  LEU  33          1HD1      LEU  33   3.539   5.535  -4.858
  218   2HD1  LEU  33          2HD1      LEU  33   2.140   5.716  -3.798
  219   3HD1  LEU  33          3HD1      LEU  33   3.759   6.004  -3.173
  220   1HD2  LEU  33          1HD2      LEU  33   1.251   3.597  -4.035
  221   2HD2  LEU  33          2HD2      LEU  33   2.442   3.081  -5.225
  222   3HD2  LEU  33          3HD2      LEU  33   2.191   2.129  -3.760
  223    H    LEU  34           H        LEU  34   3.890   0.300  -5.003
  224    HA   LEU  34           HA       LEU  34   6.398  -0.279  -6.417
  225   1HB   LEU  34          2HB       LEU  34   3.765  -1.751  -6.544
  226    HG   LEU  34           HG       LEU  34   4.632  -1.923  -4.254
  227   1HD1  LEU  34          1HD1      LEU  34   5.075  -4.475  -5.789
  228   2HD1  LEU  34          2HD1      LEU  34   4.611  -4.302  -4.091
  229   3HD1  LEU  34          3HD1      LEU  34   3.491  -3.823  -5.370
  230   1HD2  LEU  34          1HD2      LEU  34   6.782  -3.120  -3.902
  231   2HD2  LEU  34          2HD2      LEU  34   7.125  -2.921  -5.618
  232   3HD2  LEU  34          3HD2      LEU  34   6.960  -1.504  -4.579
  233    H    ASN  35           H        ASN  35   3.061   0.706  -6.834
  234    HA   ASN  35           HA       ASN  35   3.673   2.171  -9.237
  235   1HB   ASN  35          2HB       ASN  35   3.277  -0.179 -10.055
  236   1HD2  ASN  35          1HD2      ASN  35   2.560  -0.491 -12.118
  237   2HD2  ASN  35          2HD2      ASN  35   1.867   0.781 -13.063
  238    H    SER  36           H        SER  36   2.495   3.987  -9.130
  239    HA   SER  36           HA       SER  36  -0.101   3.872  -7.769
  240   1HB   SER  36          2HB       SER  36   0.484   6.117  -6.738
  241    HG   SER  36           HG       SER  36   2.697   5.771  -8.164
  242    H    THR  37           H        THR  37   0.632   3.968 -10.610
  243    HA   THR  37           HA       THR  37   0.047   6.642 -11.506
  244    HB   THR  37           HB       THR  37   1.409   5.009 -12.848
  245    HG1  THR  37           1HG      THR  37  -0.886   6.277 -13.961
  246   1HG2  THR  37          1HG2      THR  37  -1.295   3.798 -13.443
  247   2HG2  THR  37          2HG2      THR  37  -0.001   3.023 -12.532
  248   3HG2  THR  37          3HG2      THR  37   0.222   3.386 -14.243
  249    H    ASN  38           H        ASN  38  -1.831   4.243 -10.193
  250    HA   ASN  38           HA       ASN  38  -4.228   4.802 -11.745
  251   1HB   ASN  38          2HB       ASN  38  -3.517   2.528 -10.643
  252   1HD2  ASN  38          1HD2      ASN  38  -5.048   0.901 -10.736
  253   2HD2  ASN  38          2HD2      ASN  38  -6.684   1.203 -11.211
  254    H    LYS  39           H        LYS  39  -6.211   5.407 -10.490
  255    HA   LYS  39           HA       LYS  39  -5.478   7.547  -8.631
  256   1HB   LYS  39          2HB       LYS  39  -8.102   7.206 -10.040
  257   1HG   LYS  39          2HG       LYS  39  -5.917   9.068 -10.899
  258   1HD   LYS  39          2HD       LYS  39  -8.514   8.168 -12.133
  259   1HE   LYS  39          2HE       LYS  39  -6.410   9.979 -13.304
  260   1HZ   LYS  39          1HZ       LYS  39  -7.803   9.775 -15.300
  261   2HZ   LYS  39          2HZ       LYS  39  -8.594  10.576 -14.036
  262   3HZ   LYS  39          3HZ       LYS  39  -8.980   8.962 -14.388
  263    H    ASP  40           H        ASP  40  -7.236   4.550  -8.829
  264    HA   ASP  40           HA       ASP  40  -8.402   5.112  -6.192
  265   1HB   ASP  40          2HB       ASP  40  -9.332   3.364  -8.449
  266    H    TRP  41           H        TRP  41  -6.310   2.909  -7.939
  267    HA   TRP  41           HA       TRP  41  -6.002   1.375  -5.444
  268   1HB   TRP  41          2HB       TRP  41  -6.125   0.247  -8.246
  269    HD1  TRP  41           HD       TRP  41  -8.697   0.734  -8.623
  270    HE1  TRP  41           1HE      TRP  41 -10.836  -0.221  -7.530
  271    HE3  TRP  41           3HE      TRP  41  -6.596  -1.474  -4.517
  272    HZ2  TRP  41           2HZ      TRP  41 -11.524  -1.693  -5.221
  273    HZ3  TRP  41           3HZ      TRP  41  -8.061  -2.621  -2.912
  274    HH2  TRP  41           HH       TRP  41 -10.475  -2.729  -3.255
  275    H    TRP  42           H        TRP  42  -3.983   1.360  -4.735
  276    HA   TRP  42           HA       TRP  42  -1.834   1.831  -6.688
  277   1HB   TRP  42          2HB       TRP  42  -2.070   2.639  -3.791
  278    HD1  TRP  42           HD       TRP  42  -2.843   3.679  -7.145
  279    HE1  TRP  42           1HE      TRP  42  -2.851   6.239  -7.417
  280    HE3  TRP  42           3HE      TRP  42  -0.367   4.939  -2.873
  281    HZ2  TRP  42           2HZ      TRP  42  -1.913   8.484  -5.997
  282    HZ3  TRP  42           3HZ      TRP  42   0.057   7.321  -2.403
  283    HH2  TRP  42           HH       TRP  42  -0.706   9.051  -3.935
  284    H    LYS  43           H        LYS  43  -0.259   0.376  -6.873
  285    HA   LYS  43           HA       LYS  43  -0.554  -2.133  -5.446
  286   1HB   LYS  43          2HB       LYS  43  -0.033  -1.912  -7.938
  287   1HG   LYS  43          2HG       LYS  43   1.905  -3.533  -6.297
  288   1HD   LYS  43          2HD       LYS  43   1.046  -3.708  -9.175
  289   1HE   LYS  43          2HE       LYS  43   1.044  -5.948  -8.371
  290   1HZ   LYS  43          1HZ       LYS  43   2.779  -6.896  -7.112
  291   2HZ   LYS  43          2HZ       LYS  43   2.317  -5.485  -6.301
  292   3HZ   LYS  43          3HZ       LYS  43   3.737  -5.506  -7.225
  293    H    VAL  44           H        VAL  44   0.507  -2.567  -3.626
  294    HA   VAL  44           HA       VAL  44   2.944  -1.027  -3.077
  295    HB   VAL  44           HB       VAL  44   2.254  -0.813  -0.709
  296   1HG1  VAL  44          1HG1      VAL  44   1.940   1.049  -2.256
  297   2HG1  VAL  44          2HG1      VAL  44   0.343   0.435  -2.682
  298   3HG1  VAL  44          3HG1      VAL  44   0.660   1.008  -1.044
  299   1HG2  VAL  44          1HG2      VAL  44  -0.128  -1.134  -0.139
  300   2HG2  VAL  44          2HG2      VAL  44  -0.388  -1.854  -1.727
  301   3HG2  VAL  44          3HG2      VAL  44   0.681  -2.640  -0.566
  302    H    GLU  45           H        GLU  45   4.155  -1.825  -1.282
  303    HA   GLU  45           HA       GLU  45   4.118  -4.751  -0.982
  304   1HB   GLU  45          2HB       GLU  45   5.899  -3.898  -2.477
  305   1HG   GLU  45          2HG       GLU  45   7.120  -4.721   0.141
  306    H    VAL  46           H        VAL  46   3.540  -5.165   1.091
  307    HA   VAL  46           HA       VAL  46   4.392  -3.341   3.241
  308    HB   VAL  46           HB       VAL  46   3.030  -5.636   4.264
  309   1HG1  VAL  46          1HG1      VAL  46   2.076  -2.789   4.141
  310   2HG1  VAL  46          2HG1      VAL  46   1.626  -4.027   5.315
  311   3HG1  VAL  46          3HG1      VAL  46   3.275  -3.395   5.288
  312   1HG2  VAL  46          1HG2      VAL  46   0.807  -5.277   3.274
  313   2HG2  VAL  46          2HG2      VAL  46   1.549  -4.222   2.070
  314   3HG2  VAL  46          3HG2      VAL  46   1.995  -5.928   2.142
  315    H    ASN  47           H        ASN  47   6.388  -3.798   3.778
  316    HA   ASN  47           HA       ASN  47   8.276  -4.787   4.408
  317   1HB   ASN  47          2HB       ASN  47   8.130  -6.674   5.975
  318   1HD2  ASN  47          1HD2      ASN  47   4.928  -5.630   6.583
  319   2HD2  ASN  47          2HD2      ASN  47   4.184  -7.191   6.456
  320    H    ASP  48           H        ASP  48   6.199  -7.403   3.339
  321    HA   ASP  48           HA       ASP  48   8.221  -8.228   1.389
  322   1HB   ASP  48          2HB       ASP  48   8.705  -9.485   3.495
  323    H    ARG  49           H        ARG  49   5.007  -7.765   2.256
  324    HA   ARG  49           HA       ARG  49   3.945  -9.800   0.428
  325   1HB   ARG  49          2HB       ARG  49   2.512  -8.006   2.403
  326   1HG   ARG  49          2HG       ARG  49   3.838  -9.764   3.527
  327   1HD   ARG  49          2HD       ARG  49   2.851 -12.102   3.318
  328    HE   ARG  49           HE       ARG  49   5.021 -11.138   2.056
  329   1HH1  ARG  49          2HH1      ARG  49   2.498 -13.344   1.063
  330   2HH1  ARG  49          1HH1      ARG  49   3.525 -14.234  -0.026
  331   1HH2  ARG  49          2HH2      ARG  49   6.388 -12.308   0.646
  332   2HH2  ARG  49          1HH2      ARG  49   5.733 -13.645  -0.258
  333    H    GLN  50           H        GLN  50   3.192  -9.266  -1.539
  334    HA   GLN  50           HA       GLN  50   3.035  -6.383  -2.161
  335   1HB   GLN  50          2HB       GLN  50   3.626  -8.758  -3.938
  336   1HG   GLN  50          2HG       GLN  50   5.370  -6.368  -3.442
  337   1HE2  GLN  50          1HE2      GLN  50   4.678  -7.926  -5.864
  338   2HE2  GLN  50          2HE2      GLN  50   6.169  -8.607  -6.403
  339    H    GLY  51           H        GLY  51   1.173  -5.525  -2.945
  340   1HA   GLY  51          1HA       GLY  51  -0.801  -6.968  -4.366
  341   2HA   GLY  51          2HA       GLY  51  -1.265  -6.877  -2.673
  342    H    PHE  52           H        PHE  52  -3.031  -5.722  -4.154
  343    HA   PHE  52           HA       PHE  52  -2.358  -2.898  -4.506
  344   1HB   PHE  52          2HB       PHE  52  -4.720  -4.568  -5.353
  345    HD1  PHE  52           1HD      PHE  52  -3.432  -1.661  -7.122
  346    HD2  PHE  52           2HD      PHE  52  -3.271  -5.900  -6.760
  347    HE1  PHE  52           1HE      PHE  52  -2.313  -1.795  -9.310
  348    HE2  PHE  52           2HE      PHE  52  -2.150  -6.047  -8.950
  349    HZ   PHE  52           HZ       PHE  52  -1.705  -3.957 -10.248
  350    H    VAL  53           H        VAL  53  -3.365  -1.248  -3.446
  351    HA   VAL  53           HA       VAL  53  -5.472  -1.894  -1.511
  352    HB   VAL  53           HB       VAL  53  -4.511  -0.407   0.166
  353   1HG1  VAL  53          1HG1      VAL  53  -2.549  -1.762   0.822
  354   2HG1  VAL  53          2HG1      VAL  53  -3.950  -2.733   0.369
  355   3HG1  VAL  53          3HG1      VAL  53  -2.609  -2.544  -0.758
  356   1HG2  VAL  53          1HG2      VAL  53  -2.197   0.424  -0.074
  357   2HG2  VAL  53          2HG2      VAL  53  -2.196  -0.138  -1.747
  358   3HG2  VAL  53          3HG2      VAL  53  -3.311   1.136  -1.244
  359    HA   PRO  54           HA       PRO  54  -7.505   1.773  -3.024
  360   1HB   PRO  54          2HB       PRO  54  -7.843   2.607  -0.197
  361   1HG   PRO  54          2HG       PRO  54  -8.771   0.611   0.536
  362   1HD   PRO  54          2HD       PRO  54  -6.525   0.068   0.376
  363    H    ALA  55           H        ALA  55  -6.570   3.553  -3.788
  364    HA   ALA  55           HA       ALA  55  -4.177   4.659  -2.753
  365   1HB   ALA  55          1HB       ALA  55  -4.541   6.437  -4.408
  366   2HB   ALA  55          2HB       ALA  55  -4.759   4.831  -5.105
  367   3HB   ALA  55          3HB       ALA  55  -6.164   5.816  -4.699
  368    H    ALA  56           H        ALA  56  -7.489   5.164  -2.019
  369    HA   ALA  56           HA       ALA  56  -7.148   7.782  -0.863
  370   1HB   ALA  56          1HB       ALA  56  -9.470   7.552  -0.162
  371   2HB   ALA  56          2HB       ALA  56  -9.289   7.105  -1.858
  372   3HB   ALA  56          3HB       ALA  56  -9.461   5.851  -0.629
  373    H    TYR  57           H        TYR  57  -6.142   4.803   0.071
  374    HA   TYR  57           HA       TYR  57  -6.587   5.335   2.944
  375   1HB   TYR  57          2HB       TYR  57  -6.259   2.766   1.412
  376    HD1  TYR  57           1HD      TYR  57  -7.621   1.911   4.404
  377    HD2  TYR  57           2HD      TYR  57  -8.640   4.139   0.919
  378    HE1  TYR  57           1HE      TYR  57 -10.003   1.566   4.885
  379    HE2  TYR  57           2HE      TYR  57 -11.023   3.804   1.397
  380    HH   TYR  57           HH       TYR  57 -12.180   2.700   4.367
  381    H    VAL  58           H        VAL  58  -4.382   5.899   0.712
  382    HA   VAL  58           HA       VAL  58  -2.125   5.455   2.495
  383    HB   VAL  58           HB       VAL  58  -2.667   3.855   0.162
  384   1HG1  VAL  58          1HG1      VAL  58  -1.335   5.452  -1.061
  385   2HG1  VAL  58          2HG1      VAL  58  -0.041   5.306   0.131
  386   3HG1  VAL  58          3HG1      VAL  58  -0.467   3.924  -0.880
  387   1HG2  VAL  58          1HG2      VAL  58  -1.984   2.974   2.311
  388   2HG2  VAL  58          2HG2      VAL  58  -0.847   2.501   1.047
  389   3HG2  VAL  58          3HG2      VAL  58  -0.430   3.798   2.169
  390    H    LYS  59           H        LYS  59  -0.483   6.975   2.233
  391    HA   LYS  59           HA       LYS  59  -0.767   8.898   0.033
  392   1HB   LYS  59          2HB       LYS  59  -1.906   9.783   2.091
  393   1HG   LYS  59          2HG       LYS  59   0.498  11.249   1.052
  394   1HD   LYS  59          2HD       LYS  59  -0.499  13.272   2.130
  395   1HE   LYS  59          2HE       LYS  59   0.458  11.118   4.011
  396   1HZ   LYS  59          1HZ       LYS  59  -0.346  13.066   5.179
  397   2HZ   LYS  59          2HZ       LYS  59   0.608  14.078   4.221
  398   3HZ   LYS  59          3HZ       LYS  59   1.343  12.985   5.282
  399    H    LYS  60           H        LYS  60   1.120   9.616  -0.798
  400    HA   LYS  60           HA       LYS  60   3.556   8.398  -0.486
  401   1HB   LYS  60          2HB       LYS  60   2.681  11.035  -1.531
  402   1HG   LYS  60          2HG       LYS  60   3.939  10.483  -3.496
  403   1HD   LYS  60          2HD       LYS  60   2.722   7.847  -2.940
  404   1HE   LYS  60          2HE       LYS  60   1.586   8.363  -5.091
  405   1HZ   LYS  60          1HZ       LYS  60   3.681   7.220  -5.232
  406   2HZ   LYS  60          2HZ       LYS  60   4.541   8.675  -5.157
  407   3HZ   LYS  60          3HZ       LYS  60   3.563   8.335  -6.501
  408    H    LEU  61           H        LEU  61   5.081   8.318   1.058
  409    HA   LEU  61           HA       LEU  61   5.224  10.513   3.019
  410   1HB   LEU  61          2HB       LEU  61   6.258   7.681   3.124
  411    HG   LEU  61           HG       LEU  61   3.911   7.901   3.870
  412   1HD1  LEU  61          1HD1      LEU  61   5.400   6.213   4.822
  413   2HD1  LEU  61          2HD1      LEU  61   5.899   7.357   6.067
  414   3HD1  LEU  61          3HD1      LEU  61   4.231   6.786   6.013
  415   1HD2  LEU  61          1HD2      LEU  61   3.581   9.059   6.099
  416   2HD2  LEU  61          2HD2      LEU  61   5.116   9.873   5.805
  417   3HD2  LEU  61          3HD2      LEU  61   3.758  10.120   4.705
  418    H    ASP  62           H        ASP  62   6.442   9.929   0.168
  419    HA   ASP  62           HA       ASP  62   9.262  10.270   0.824
  420   1HB   ASP  62          2HB       ASP  62   8.700   8.602  -0.882
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1  19.638  -4.513  -0.145
    2   2H    MET   1          2H        MET   1  20.782  -4.931  -1.323
    3   3H    MET   1          3H        MET   1  19.174  -5.447  -1.488
    4    HA   MET   1           HA       MET   1  20.140  -2.656  -1.564
    5   1HB   MET   1          2HB       MET   1  20.755  -3.823  -3.592
    6   1HG   MET   1          2HG       MET   1  18.293  -2.158  -4.041
    7   1HE   MET   1          1HE       MET   1  17.851  -0.995  -6.341
    8   2HE   MET   1          2HE       MET   1  19.514  -0.410  -6.382
    9   3HE   MET   1          3HE       MET   1  18.838  -1.243  -7.782
   10    H    ASP   2           H        ASP   2  17.562  -4.638  -0.607
   11    HA   ASP   2           HA       ASP   2  15.709  -2.415  -1.091
   12   1HB   ASP   2          2HB       ASP   2  15.332  -4.219  -2.805
   13    H    GLU   3           H        GLU   3  15.985  -1.847   1.056
   14    HA   GLU   3           HA       GLU   3  14.449  -3.576   2.884
   15   1HB   GLU   3          2HB       GLU   3  16.832  -3.126   3.573
   16   1HG   GLU   3          2HG       GLU   3  16.399  -2.551   5.854
   17    H    THR   4           H        THR   4  12.735  -2.524   1.500
   18    HA   THR   4           HA       THR   4  11.117  -1.003   1.059
   19    HB   THR   4           HB       THR   4  10.211   0.279   3.039
   20    HG1  THR   4           1HG      THR   4  12.590  -0.248   4.071
   21   1HG2  THR   4          1HG2      THR   4  10.633  -2.696   3.342
   22   2HG2  THR   4          2HG2      THR   4   9.299  -1.891   2.512
   23   3HG2  THR   4          3HG2      THR   4   9.464  -1.750   4.262
   24    H    GLY   5           H        GLY   5  13.758  -0.212   0.414
   25   1HA   GLY   5          1HA       GLY   5  13.953   2.614   1.155
   26   2HA   GLY   5          2HA       GLY   5  15.194   1.668   0.351
   27    H    LYS   6           H        LYS   6  11.791   2.399  -0.368
   28    HA   LYS   6           HA       LYS   6  12.614   3.785  -2.808
   29   1HB   LYS   6          2HB       LYS   6  10.409   1.691  -2.831
   30   1HG   LYS   6          2HG       LYS   6  12.084   0.631  -4.605
   31   1HD   LYS   6          2HD       LYS   6  12.942  -0.834  -2.643
   32   1HE   LYS   6          2HE       LYS   6   9.986  -0.565  -3.179
   33   1HZ   LYS   6          1HZ       LYS   6  10.340  -2.068  -1.377
   34   2HZ   LYS   6          2HZ       LYS   6  11.618  -2.834  -2.175
   35   3HZ   LYS   6          3HZ       LYS   6  10.036  -3.003  -2.751
   36    H    GLU   7           H        GLU   7  10.058   4.191  -3.804
   37    HA   GLU   7           HA       GLU   7   9.121   6.382  -2.393
   38   1HB   GLU   7          2HB       GLU   7   8.621   5.804  -4.766
   39   1HG   GLU   7          2HG       GLU   7   6.361   6.568  -4.907
   40    H    LEU   8           H        LEU   8   8.060   6.544  -0.490
   41    HA   LEU   8           HA       LEU   8   6.727   4.120   0.512
   42   1HB   LEU   8          2HB       LEU   8   8.188   6.262   2.036
   43    HG   LEU   8           HG       LEU   8   9.622   4.536   0.984
   44   1HD1  LEU   8          1HD1      LEU   8  10.842   3.930   3.037
   45   2HD1  LEU   8          2HD1      LEU   8  10.361   5.627   3.023
   46   3HD1  LEU   8          3HD1      LEU   8   9.461   4.462   3.997
   47   1HD2  LEU   8          1HD2      LEU   8   8.087   2.670   0.975
   48   2HD2  LEU   8          2HD2      LEU   8   9.548   2.246   1.865
   49   3HD2  LEU   8          3HD2      LEU   8   8.070   2.644   2.740
   50    H    VAL   9           H        VAL   9   4.969   4.304   1.843
   51    HA   VAL   9           HA       VAL   9   3.536   6.859   1.916
   52    HB   VAL   9           HB       VAL   9   1.395   5.528   1.389
   53   1HG1  VAL   9          1HG1      VAL   9   1.579   5.974  -0.971
   54   2HG1  VAL   9          2HG1      VAL   9   2.322   7.276  -0.044
   55   3HG1  VAL   9          3HG1      VAL   9   3.336   6.073  -0.844
   56   1HG2  VAL   9          1HG2      VAL   9   3.443   3.721   0.115
   57   2HG2  VAL   9          2HG2      VAL   9   2.341   3.303   1.428
   58   3HG2  VAL   9          3HG2      VAL   9   1.704   3.661  -0.178
   59    H    LEU  10           H        LEU  10   1.786   6.868   3.444
   60    HA   LEU  10           HA       LEU  10   2.174   4.938   5.635
   61   1HB   LEU  10          2HB       LEU  10   2.614   7.263   6.244
   62    HG   LEU  10           HG       LEU  10   0.113   6.095   7.417
   63   1HD1  LEU  10          1HD1      LEU  10   2.191   5.003   7.987
   64   2HD1  LEU  10          2HD1      LEU  10   2.890   6.543   8.488
   65   3HD1  LEU  10          3HD1      LEU  10   1.545   5.849   9.392
   66   1HD2  LEU  10          1HD2      LEU  10   0.221   7.853   9.147
   67   2HD2  LEU  10          2HD2      LEU  10   1.406   8.706   8.160
   68   3HD2  LEU  10          3HD2      LEU  10  -0.233   8.459   7.552
   69    H    ALA  11           H        ALA  11   0.449   3.764   6.377
   70    HA   ALA  11           HA       ALA  11  -1.995   3.848   4.844
   71   1HB   ALA  11          1HB       ALA  11  -0.906   1.746   5.753
   72   2HB   ALA  11          2HB       ALA  11  -1.497   2.238   7.345
   73   3HB   ALA  11          3HB       ALA  11  -2.638   1.906   6.041
   74    H    LEU  12           H        LEU  12  -3.414   5.443   5.259
   75    HA   LEU  12           HA       LEU  12  -3.621   6.764   7.769
   76   1HB   LEU  12          2HB       LEU  12  -5.259   6.799   5.256
   77    HG   LEU  12           HG       LEU  12  -3.648   8.934   6.636
   78   1HD1  LEU  12          1HD1      LEU  12  -3.282   7.482   4.038
   79   2HD1  LEU  12          2HD1      LEU  12  -2.401   8.942   4.494
   80   3HD1  LEU  12          3HD1      LEU  12  -2.217   7.472   5.448
   81   1HD2  LEU  12          1HD2      LEU  12  -5.425   9.081   4.205
   82   2HD2  LEU  12          2HD2      LEU  12  -5.659   9.924   5.735
   83   3HD2  LEU  12          3HD2      LEU  12  -4.295  10.345   4.697
   84    H    TYR  13           H        TYR  13  -5.261   4.058   6.311
   85    HA   TYR  13           HA       TYR  13  -6.854   3.771   8.763
   86   1HB   TYR  13          2HB       TYR  13  -8.021   3.041   6.084
   87    HD1  TYR  13           1HD      TYR  13  -9.089   5.631   8.478
   88    HD2  TYR  13           2HD      TYR  13  -7.691   4.819   4.546
   89    HE1  TYR  13           1HE      TYR  13  -9.638   7.933   7.821
   90    HE2  TYR  13           2HE      TYR  13  -8.222   7.127   3.876
   91    HH   TYR  13           HH       TYR  13  -9.841   8.945   4.655
   92    H    ASP  14           H        ASP  14  -7.749   1.518   8.910
   93    HA   ASP  14           HA       ASP  14  -5.755  -0.412   8.006
   94   1HB   ASP  14          2HB       ASP  14  -6.315  -0.664  10.318
   95    H    TYR  15           H        TYR  15  -6.068  -1.443   6.228
   96    HA   TYR  15           HA       TYR  15  -8.778  -1.515   5.093
   97   1HB   TYR  15          2HB       TYR  15  -7.342  -0.221   3.678
   98    HD1  TYR  15           1HD      TYR  15  -5.923  -2.875   1.921
   99    HD2  TYR  15           2HD      TYR  15  -9.694  -1.099   2.767
  100    HE1  TYR  15           1HE      TYR  15  -6.846  -3.880  -0.116
  101    HE2  TYR  15           2HE      TYR  15 -10.632  -2.110   0.730
  102    HH   TYR  15           HH       TYR  15  -9.866  -2.978  -1.405
  103    H    GLN  16           H        GLN  16  -9.651  -3.389   4.479
  104    HA   GLN  16           HA       GLN  16  -8.142  -5.831   5.106
  105   1HB   GLN  16          2HB       GLN  16 -10.208  -5.448   6.397
  106   1HG   GLN  16          2HG       GLN  16 -11.441  -7.475   5.997
  107   1HE2  GLN  16          1HE2      GLN  16  -8.701  -8.512   4.244
  108   2HE2  GLN  16          2HE2      GLN  16  -7.810  -9.163   5.576
  109    H    GLU  17           H        GLU  17  -7.435  -6.954   3.445
  110    HA   GLU  17           HA       GLU  17  -7.791  -6.345   0.769
  111   1HB   GLU  17          2HB       GLU  17  -6.766  -8.494   0.302
  112   1HG   GLU  17          2HG       GLU  17  -7.589  -9.154   3.108
  113    H    LYS  18           H        LYS  18  -8.938  -7.367  -0.937
  114    HA   LYS  18           HA       LYS  18 -11.471  -8.576  -0.064
  115   1HB   LYS  18          2HB       LYS  18 -10.855  -7.276  -2.731
  116   1HG   LYS  18          2HG       LYS  18 -12.315  -6.129  -0.349
  117   1HD   LYS  18          2HD       LYS  18 -11.939  -5.022  -3.132
  118   1HE   LYS  18          2HE       LYS  18 -13.004  -3.790  -0.601
  119   1HZ   LYS  18          1HZ       LYS  18 -13.175  -2.698  -3.361
  120   2HZ   LYS  18          2HZ       LYS  18 -13.663  -1.919  -1.935
  121   3HZ   LYS  18          3HZ       LYS  18 -14.483  -3.305  -2.471
  122    H    SER  19           H        SER  19  -8.920  -8.799  -2.503
  123    HA   SER  19           HA       SER  19  -9.330 -11.700  -2.561
  124   1HB   SER  19          2HB       SER  19  -8.862 -11.675  -4.999
  125    HG   SER  19           HG       SER  19  -8.786  -8.885  -4.542
  126    HA   PRO  20           HA       PRO  20  -4.959 -12.186  -2.044
  127   1HB   PRO  20          2HB       PRO  20  -4.733 -13.414  -4.752
  128   1HG   PRO  20          2HG       PRO  20  -6.348 -15.049  -4.301
  129   1HD   PRO  20          2HD       PRO  20  -7.503 -13.106  -4.853
  130    H    ALA  21           H        ALA  21  -6.075 -10.513  -4.833
  131    HA   ALA  21           HA       ALA  21  -3.521  -9.567  -5.727
  132   1HB   ALA  21          1HB       ALA  21  -5.446  -9.711  -7.244
  133   2HB   ALA  21          2HB       ALA  21  -6.276  -8.475  -6.297
  134   3HB   ALA  21          3HB       ALA  21  -4.794  -8.075  -7.166
  135    H    GLU  22           H        GLU  22  -5.801  -8.655  -3.311
  136    HA   GLU  22           HA       GLU  22  -4.441  -6.090  -2.872
  137   1HB   GLU  22          2HB       GLU  22  -7.003  -7.192  -1.680
  138   1HG   GLU  22          2HG       GLU  22  -7.977  -5.092  -2.707
  139    H    VAL  23           H        VAL  23  -3.739  -5.557  -0.707
  140    HA   VAL  23           HA       VAL  23  -3.336  -7.913   1.010
  141    HB   VAL  23           HB       VAL  23  -1.280  -6.744   1.904
  142   1HG1  VAL  23          1HG1      VAL  23  -1.268  -7.652  -0.966
  143   2HG1  VAL  23          2HG1      VAL  23   0.157  -7.506   0.064
  144   3HG1  VAL  23          3HG1      VAL  23  -1.105  -8.671   0.464
  145   1HG2  VAL  23          1HG2      VAL  23  -0.176  -5.149   0.375
  146   2HG2  VAL  23          2HG2      VAL  23  -1.653  -5.088  -0.586
  147   3HG2  VAL  23          3HG2      VAL  23  -1.663  -4.514   1.082
  148    H    THR  24           H        THR  24  -3.286  -7.515   3.267
  149    HA   THR  24           HA       THR  24  -5.085  -5.329   3.992
  150    HB   THR  24           HB       THR  24  -4.200  -7.748   5.568
  151    HG1  THR  24           1HG      THR  24  -5.622  -8.542   4.168
  152   1HG2  THR  24          1HG2      THR  24  -4.741  -5.853   7.028
  153   2HG2  THR  24          2HG2      THR  24  -5.948  -7.136   7.157
  154   3HG2  THR  24          3HG2      THR  24  -6.299  -5.683   6.220
  155    H    MET  25           H        MET  25  -4.395  -3.571   4.968
  156    HA   MET  25           HA       MET  25  -1.762  -3.606   6.277
  157   1HB   MET  25          2HB       MET  25  -1.210  -1.449   5.321
  158   1HG   MET  25          2HG       MET  25  -3.721  -1.610   3.676
  159   1HE   MET  25          1HE       MET  25  -4.362   0.701   2.235
  160   2HE   MET  25          2HE       MET  25  -4.148   1.559   3.762
  161   3HE   MET  25          3HE       MET  25  -3.330   2.126   2.307
  162    H    LYS  26           H        LYS  26  -1.503  -2.118   7.989
  163    HA   LYS  26           HA       LYS  26  -4.112  -1.365   9.148
  164   1HB   LYS  26          2HB       LYS  26  -1.595  -2.327  10.531
  165   1HG   LYS  26          2HG       LYS  26  -3.088  -3.926  11.629
  166   1HD   LYS  26          2HD       LYS  26  -3.246  -4.003   8.623
  167   1HE   LYS  26          2HE       LYS  26  -3.681  -6.333   8.796
  168   1HZ   LYS  26          1HZ       LYS  26  -5.836  -6.300   9.520
  169   2HZ   LYS  26          2HZ       LYS  26  -5.567  -4.624   9.371
  170   3HZ   LYS  26          3HZ       LYS  26  -5.490  -5.371  10.893
  171    H    LYS  27           H        LYS  27  -4.267   0.529  10.352
  172    HA   LYS  27           HA       LYS  27  -3.023   2.808   9.409
  173   1HB   LYS  27          2HB       LYS  27  -5.031   3.086  10.612
  174   1HG   LYS  27          2HG       LYS  27  -4.531   4.387  12.687
  175   1HD   LYS  27          2HD       LYS  27  -2.870   5.152  10.296
  176   1HE   LYS  27          2HE       LYS  27  -4.076   6.708  12.570
  177   1HZ   LYS  27          1HZ       LYS  27  -2.895   7.739  10.044
  178   2HZ   LYS  27          2HZ       LYS  27  -3.208   8.676  11.416
  179   3HZ   LYS  27          3HZ       LYS  27  -4.489   7.950  10.580
  180    H    GLY  28           H        GLY  28  -1.005   3.506   9.583
  181   1HA   GLY  28          1HA       GLY  28   0.787   4.276  11.024
  182   2HA   GLY  28          2HA       GLY  28   0.499   2.866  12.042
  183    H    ASP  29           H        ASP  29   0.172   1.441   9.269
  184    HA   ASP  29           HA       ASP  29   2.845   0.441   9.167
  185   1HB   ASP  29          2HB       ASP  29   0.340  -0.094   7.609
  186    H    ILE  30           H        ILE  30   4.391   0.731   7.609
  187    HA   ILE  30           HA       ILE  30   3.955   3.013   5.811
  188    HB   ILE  30           HB       ILE  30   6.499   1.894   6.992
  189   1HG1  ILE  30          2HG1      ILE  30   6.865   4.269   7.662
  190   1HG2  ILE  30          1HG2      ILE  30   6.278   3.876   4.736
  191   2HG2  ILE  30          2HG2      ILE  30   7.761   3.476   5.604
  192   3HG2  ILE  30          3HG2      ILE  30   6.943   2.245   4.643
  193   1HD1  ILE  30          1HD1      ILE  30   5.247   4.446   9.432
  194   2HD1  ILE  30          2HD1      ILE  30   4.231   3.223   8.664
  195   3HD1  ILE  30          3HD1      ILE  30   5.820   2.784   9.297
  196    H    LEU  31           H        LEU  31   3.429   2.435   3.871
  197    HA   LEU  31           HA       LEU  31   4.150  -0.204   2.866
  198   1HB   LEU  31          2HB       LEU  31   2.107   1.851   2.132
  199    HG   LEU  31           HG       LEU  31   0.511   0.054   2.148
  200   1HD1  LEU  31          1HD1      LEU  31   2.865  -1.746   2.629
  201   2HD1  LEU  31          2HD1      LEU  31   1.171  -2.235   2.716
  202   3HD1  LEU  31          3HD1      LEU  31   1.851  -1.681   1.186
  203   1HD2  LEU  31          1HD2      LEU  31   0.624  -0.664   4.487
  204   2HD2  LEU  31          2HD2      LEU  31   2.292  -0.099   4.575
  205   3HD2  LEU  31          3HD2      LEU  31   0.984   1.053   4.311
  206    H    THR  32           H        THR  32   5.138  -0.509   0.867
  207    HA   THR  32           HA       THR  32   6.640   1.814  -0.118
  208    HB   THR  32           HB       THR  32   7.093  -1.109  -0.747
  209    HG1  THR  32           1HG      THR  32   7.550   0.125   1.513
  210   1HG2  THR  32          1HG2      THR  32   7.969   0.384  -2.448
  211   2HG2  THR  32          2HG2      THR  32   9.298  -0.301  -1.511
  212   3HG2  THR  32          3HG2      THR  32   8.770   1.354  -1.211
  213    H    LEU  33           H        LEU  33   6.070   2.722  -1.994
  214    HA   LEU  33           HA       LEU  33   3.827   1.661  -3.435
  215   1HB   LEU  33          2HB       LEU  33   5.389   4.163  -3.466
  216    HG   LEU  33           HG       LEU  33   3.204   4.076  -2.347
  217   1HD1  LEU  33          1HD1      LEU  33   3.932   6.193  -3.205
  218   2HD1  LEU  33          2HD1      LEU  33   3.327   5.793  -4.816
  219   3HD1  LEU  33          3HD1      LEU  33   2.199   6.028  -3.482
  220   1HD2  LEU  33          1HD2      LEU  33   1.165   3.883  -3.706
  221   2HD2  LEU  33          2HD2      LEU  33   2.149   3.494  -5.114
  222   3HD2  LEU  33          3HD2      LEU  33   2.113   2.400  -3.732
  223    H    LEU  34           H        LEU  34   3.852   0.365  -5.061
  224    HA   LEU  34           HA       LEU  34   6.358  -0.121  -6.517
  225   1HB   LEU  34          2HB       LEU  34   3.848  -1.793  -6.524
  226    HG   LEU  34           HG       LEU  34   4.682  -1.777  -4.216
  227   1HD1  LEU  34          1HD1      LEU  34   5.312  -4.339  -5.673
  228   2HD1  LEU  34          2HD1      LEU  34   4.916  -4.170  -3.961
  229   3HD1  LEU  34          3HD1      LEU  34   3.702  -3.806  -5.190
  230   1HD2  LEU  34          1HD2      LEU  34   7.276  -2.642  -5.489
  231   2HD2  LEU  34          2HD2      LEU  34   6.987  -1.190  -4.529
  232   3HD2  LEU  34          3HD2      LEU  34   6.922  -2.780  -3.766
  233    H    ASN  35           H        ASN  35   2.913   0.518  -6.903
  234    HA   ASN  35           HA       ASN  35   3.376   1.641  -9.552
  235   1HB   ASN  35          2HB       ASN  35   2.887  -0.784  -9.891
  236   1HD2  ASN  35          1HD2      ASN  35   1.938  -1.482 -11.753
  237   2HD2  ASN  35          2HD2      ASN  35   1.110  -0.413 -12.834
  238    H    SER  36           H        SER  36   2.293   3.510  -9.637
  239    HA   SER  36           HA       SER  36  -0.190   3.768  -8.091
  240   1HB   SER  36          2HB       SER  36   0.535   6.130  -7.558
  241    HG   SER  36           HG       SER  36   3.107   5.154  -8.301
  242    H    THR  37           H        THR  37   0.358   3.289 -10.978
  243    HA   THR  37           HA       THR  37  -0.265   5.785 -12.292
  244    HB   THR  37           HB       THR  37   1.100   3.902 -13.329
  245    HG1  THR  37           1HG      THR  37  -0.012   5.738 -14.457
  246   1HG2  THR  37          1HG2      THR  37  -0.459   2.070 -12.762
  247   2HG2  THR  37          2HG2      THR  37  -0.105   2.145 -14.488
  248   3HG2  THR  37          3HG2      THR  37  -1.639   2.759 -13.875
  249    H    ASN  38           H        ASN  38  -2.021   3.570 -10.564
  250    HA   ASN  38           HA       ASN  38  -4.533   4.100 -11.978
  251   1HB   ASN  38          2HB       ASN  38  -3.984   1.760 -11.221
  252   1HD2  ASN  38          1HD2      ASN  38  -5.634   0.280 -10.828
  253   2HD2  ASN  38          2HD2      ASN  38  -7.286   0.774 -10.639
  254    H    LYS  39           H        LYS  39  -6.115   5.342 -11.028
  255    HA   LYS  39           HA       LYS  39  -5.074   7.234  -9.097
  256   1HB   LYS  39          2HB       LYS  39  -6.967   8.618  -9.612
  257   1HG   LYS  39          2HG       LYS  39  -8.076   6.347 -11.246
  258   1HD   LYS  39          2HD       LYS  39  -9.067   9.165 -10.879
  259   1HE   LYS  39          2HE       LYS  39 -10.142   6.821 -12.437
  260   1HZ   LYS  39          1HZ       LYS  39 -11.068   9.642 -12.381
  261   2HZ   LYS  39          2HZ       LYS  39 -11.882   8.354 -13.125
  262   3HZ   LYS  39          3HZ       LYS  39 -10.368   8.849 -13.708
  263    H    ASP  40           H        ASP  40  -6.895   4.414  -8.915
  264    HA   ASP  40           HA       ASP  40  -8.100   5.311  -6.379
  265   1HB   ASP  40          2HB       ASP  40  -9.134   3.205  -8.284
  266    H    TRP  41           H        TRP  41  -6.252   2.814  -7.976
  267    HA   TRP  41           HA       TRP  41  -5.914   1.485  -5.374
  268   1HB   TRP  41          2HB       TRP  41  -6.070   0.177  -8.102
  269    HD1  TRP  41           HD       TRP  41  -8.626   0.785  -8.457
  270    HE1  TRP  41           1HE      TRP  41 -10.777  -0.042  -7.307
  271    HE3  TRP  41           3HE      TRP  41  -6.563  -1.383  -4.311
  272    HZ2  TRP  41           2HZ      TRP  41 -11.502  -1.420  -4.953
  273    HZ3  TRP  41           3HZ      TRP  41  -8.045  -2.423  -2.657
  274    HH2  TRP  41           HH       TRP  41 -10.470  -2.443  -2.971
  275    H    TRP  42           H        TRP  42  -3.909   1.485  -4.655
  276    HA   TRP  42           HA       TRP  42  -1.734   1.864  -6.601
  277   1HB   TRP  42          2HB       TRP  42  -2.027   2.794  -3.744
  278    HD1  TRP  42           HD       TRP  42  -2.764   3.697  -7.108
  279    HE1  TRP  42           1HE      TRP  42  -2.650   6.225  -7.532
  280    HE3  TRP  42           3HE      TRP  42  -0.185   5.108  -2.930
  281    HZ2  TRP  42           2HZ      TRP  42  -1.608   8.514  -6.254
  282    HZ3  TRP  42           3HZ      TRP  42   0.333   7.500  -2.611
  283    HH2  TRP  42           HH       TRP  42  -0.371   9.160  -4.236
  284    H    LYS  43           H        LYS  43  -0.354   0.266  -6.866
  285    HA   LYS  43           HA       LYS  43  -0.539  -2.142  -5.284
  286   1HB   LYS  43          2HB       LYS  43  -0.108  -2.112  -7.767
  287   1HG   LYS  43          2HG       LYS  43   2.042  -3.429  -6.110
  288   1HD   LYS  43          2HD       LYS  43   1.241  -3.742  -8.992
  289   1HE   LYS  43          2HE       LYS  43   1.315  -5.987  -8.156
  290   1HZ   LYS  43          1HZ       LYS  43   4.001  -5.404  -7.045
  291   2HZ   LYS  43          2HZ       LYS  43   3.138  -6.866  -6.947
  292   3HZ   LYS  43          3HZ       LYS  43   2.589  -5.500  -6.110
  293    H    VAL  44           H        VAL  44   0.546  -2.449  -3.442
  294    HA   VAL  44           HA       VAL  44   3.046  -0.950  -3.048
  295    HB   VAL  44           HB       VAL  44   2.400  -0.635  -0.653
  296   1HG1  VAL  44          1HG1      VAL  44   0.886   1.249  -1.057
  297   2HG1  VAL  44          2HG1      VAL  44   2.196   1.198  -2.237
  298   3HG1  VAL  44          3HG1      VAL  44   0.581   0.649  -2.687
  299   1HG2  VAL  44          1HG2      VAL  44   0.716  -2.401  -0.530
  300   2HG2  VAL  44          2HG2      VAL  44   0.051  -0.846  -0.029
  301   3HG2  VAL  44          3HG2      VAL  44  -0.323  -1.491  -1.626
  302    H    GLU  45           H        GLU  45   4.317  -1.764  -1.230
  303    HA   GLU  45           HA       GLU  45   4.100  -4.685  -0.935
  304   1HB   GLU  45          2HB       GLU  45   6.055  -4.054  -2.247
  305   1HG   GLU  45          2HG       GLU  45   6.896  -4.735   0.562
  306    H    VAL  46           H        VAL  46   3.562  -5.291   1.063
  307    HA   VAL  46           HA       VAL  46   4.699  -3.782   3.340
  308    HB   VAL  46           HB       VAL  46   2.932  -5.672   4.380
  309   1HG1  VAL  46          1HG1      VAL  46   3.539  -3.437   5.234
  310   2HG1  VAL  46          2HG1      VAL  46   2.402  -2.734   4.077
  311   3HG1  VAL  46          3HG1      VAL  46   1.818  -3.822   5.343
  312   1HG2  VAL  46          1HG2      VAL  46   1.618  -4.187   2.126
  313   2HG2  VAL  46          2HG2      VAL  46   1.870  -5.930   2.254
  314   3HG2  VAL  46          3HG2      VAL  46   0.781  -5.113   3.374
  315    H    ASN  47           H        ASN  47   6.444  -4.752   3.976
  316    HA   ASN  47           HA       ASN  47   8.043  -6.381   3.988
  317   1HB   ASN  47          2HB       ASN  47   7.762  -7.825   5.863
  318   1HD2  ASN  47          1HD2      ASN  47   4.663  -6.233   5.299
  319   2HD2  ASN  47          2HD2      ASN  47   3.773  -7.235   6.388
  320    H    ASP  48           H        ASP  48   8.160  -7.250   2.215
  321    HA   ASP  48           HA       ASP  48   8.291  -8.798   0.557
  322   1HB   ASP  48          2HB       ASP  48   7.351 -10.762   2.640
  323    H    ARG  49           H        ARG  49   5.309  -7.960   1.763
  324    HA   ARG  49           HA       ARG  49   3.902  -9.881   0.034
  325   1HB   ARG  49          2HB       ARG  49   2.745  -8.146   2.222
  326   1HG   ARG  49          2HG       ARG  49   4.187  -9.922   3.171
  327   1HD   ARG  49          2HD       ARG  49   3.236 -12.256   3.053
  328    HE   ARG  49           HE       ARG  49   5.028 -11.101   1.262
  329   1HH1  ARG  49          2HH1      ARG  49   2.929 -13.892   1.467
  330   2HH1  ARG  49          1HH1      ARG  49   3.844 -14.827   0.327
  331   1HH2  ARG  49          2HH2      ARG  49   6.228 -12.320  -0.259
  332   2HH2  ARG  49          1HH2      ARG  49   5.697 -13.919  -0.677
  333    H    GLN  50           H        GLN  50   3.487  -9.098  -1.909
  334    HA   GLN  50           HA       GLN  50   3.147  -6.195  -2.207
  335   1HB   GLN  50          2HB       GLN  50   3.751  -8.346  -4.244
  336   1HG   GLN  50          2HG       GLN  50   5.440  -6.016  -3.356
  337   1HE2  GLN  50          1HE2      GLN  50   4.854  -8.613  -5.550
  338   2HE2  GLN  50          2HE2      GLN  50   6.206  -8.331  -6.589
  339    H    GLY  51           H        GLY  51   1.195  -5.359  -2.582
  340   1HA   GLY  51          1HA       GLY  51  -0.801  -6.797  -4.079
  341   2HA   GLY  51          2HA       GLY  51  -1.171  -6.690  -2.364
  342    H    PHE  52           H        PHE  52  -2.898  -5.583  -4.095
  343    HA   PHE  52           HA       PHE  52  -2.297  -2.757  -4.367
  344   1HB   PHE  52          2HB       PHE  52  -4.634  -4.483  -5.160
  345    HD1  PHE  52           1HD      PHE  52  -3.494  -1.552  -6.983
  346    HD2  PHE  52           2HD      PHE  52  -3.132  -5.774  -6.575
  347    HE1  PHE  52           1HE      PHE  52  -2.416  -1.666  -9.191
  348    HE2  PHE  52           2HE      PHE  52  -2.049  -5.899  -8.782
  349    HZ   PHE  52           HZ       PHE  52  -1.705  -3.822 -10.102
  350    H    VAL  53           H        VAL  53  -3.165  -1.135  -3.237
  351    HA   VAL  53           HA       VAL  53  -5.306  -1.711  -1.316
  352    HB   VAL  53           HB       VAL  53  -4.314  -0.223   0.342
  353   1HG1  VAL  53          1HG1      VAL  53  -3.782  -2.557   0.573
  354   2HG1  VAL  53          2HG1      VAL  53  -2.428  -2.395  -0.546
  355   3HG1  VAL  53          3HG1      VAL  53  -2.377  -1.592   1.024
  356   1HG2  VAL  53          1HG2      VAL  53  -1.992  -0.012  -1.566
  357   2HG2  VAL  53          2HG2      VAL  53  -3.112   1.278  -1.116
  358   3HG2  VAL  53          3HG2      VAL  53  -2.012   0.605   0.089
  359    HA   PRO  54           HA       PRO  54  -7.271   1.916  -2.945
  360   1HB   PRO  54          2HB       PRO  54  -7.733   2.811  -0.162
  361   1HG   PRO  54          2HG       PRO  54  -8.621   0.810   0.608
  362   1HD   PRO  54          2HD       PRO  54  -6.341   0.377   0.535
  363    H    ALA  55           H        ALA  55  -6.318   3.678  -3.728
  364    HA   ALA  55           HA       ALA  55  -3.969   4.818  -2.678
  365   1HB   ALA  55          1HB       ALA  55  -4.324   6.586  -4.339
  366   2HB   ALA  55          2HB       ALA  55  -4.555   4.977  -5.028
  367   3HB   ALA  55          3HB       ALA  55  -5.953   5.977  -4.629
  368    H    ALA  56           H        ALA  56  -7.330   5.477  -2.116
  369    HA   ALA  56           HA       ALA  56  -6.948   8.070  -0.956
  370   1HB   ALA  56          1HB       ALA  56  -9.299   7.934  -0.374
  371   2HB   ALA  56          2HB       ALA  56  -9.050   7.409  -2.040
  372   3HB   ALA  56          3HB       ALA  56  -9.316   6.215  -0.770
  373    H    TYR  57           H        TYR  57  -6.129   5.066   0.117
  374    HA   TYR  57           HA       TYR  57  -6.704   5.678   2.946
  375   1HB   TYR  57          2HB       TYR  57  -6.134   3.107   1.493
  376    HD1  TYR  57           1HD      TYR  57  -7.677   2.176   4.334
  377    HD2  TYR  57           2HD      TYR  57  -8.540   4.425   0.819
  378    HE1  TYR  57           1HE      TYR  57 -10.065   1.668   4.593
  379    HE2  TYR  57           2HE      TYR  57 -10.925   3.930   1.080
  380    HH   TYR  57           HH       TYR  57 -12.265   2.682   3.884
  381    H    VAL  58           H        VAL  58  -4.371   6.284   0.846
  382    HA   VAL  58           HA       VAL  58  -2.212   5.676   2.731
  383    HB   VAL  58           HB       VAL  58  -2.655   4.381   0.272
  384   1HG1  VAL  58          1HG1      VAL  58  -0.204   6.120   0.144
  385   2HG1  VAL  58          2HG1      VAL  58  -0.565   4.780  -0.944
  386   3HG1  VAL  58          3HG1      VAL  58  -1.608   6.202  -0.920
  387   1HG2  VAL  58          1HG2      VAL  58  -1.699   3.393   2.264
  388   2HG2  VAL  58          2HG2      VAL  58  -0.649   3.139   0.870
  389   3HG2  VAL  58          3HG2      VAL  58  -0.243   4.369   2.066
  390    H    LYS  59           H        LYS  59  -0.417   7.090   2.648
  391    HA   LYS  59           HA       LYS  59  -0.823   9.573   1.116
  392   1HB   LYS  59          2HB       LYS  59  -1.613   9.926   3.407
  393   1HG   LYS  59          2HG       LYS  59   0.948  11.278   2.663
  394   1HD   LYS  59          2HD       LYS  59   0.443  12.881   4.518
  395   1HE   LYS  59          2HE       LYS  59   1.103  10.064   5.382
  396   1HZ   LYS  59          1HZ       LYS  59   2.406  11.226   7.106
  397   2HZ   LYS  59          2HZ       LYS  59   0.737  11.482   7.269
  398   3HZ   LYS  59          3HZ       LYS  59   1.718  12.696   6.615
  399    H    LYS  60           H        LYS  60   0.961  10.343   0.154
  400    HA   LYS  60           HA       LYS  60   3.399   8.984   0.050
  401   1HB   LYS  60          2HB       LYS  60   2.852  11.913  -0.475
  402   1HG   LYS  60          2HG       LYS  60   1.473  10.319  -1.813
  403   1HD   LYS  60          2HD       LYS  60   3.722   8.806  -1.949
  404   1HE   LYS  60          2HE       LYS  60   4.353   8.807  -4.366
  405   1HZ   LYS  60          1HZ       LYS  60   5.791  10.778  -4.251
  406   2HZ   LYS  60          2HZ       LYS  60   5.869   9.832  -2.846
  407   3HZ   LYS  60          3HZ       LYS  60   4.983  11.281  -2.850
  408    H    LEU  61           H        LEU  61   4.936   8.741   1.535
  409    HA   LEU  61           HA       LEU  61   5.180  10.664   3.715
  410   1HB   LEU  61          2HB       LEU  61   6.589   8.049   3.189
  411    HG   LEU  61           HG       LEU  61   4.198   7.840   3.946
  412   1HD1  LEU  61          1HD1      LEU  61   6.343   6.881   5.825
  413   2HD1  LEU  61          2HD1      LEU  61   4.715   6.215   5.687
  414   3HD1  LEU  61          3HD1      LEU  61   5.836   6.091   4.331
  415   1HD2  LEU  61          1HD2      LEU  61   3.918   9.709   5.385
  416   2HD2  LEU  61          2HD2      LEU  61   3.857   8.273   6.403
  417   3HD2  LEU  61          3HD2      LEU  61   5.320   9.255   6.353
  418    H    ASP  62           H        ASP  62   6.611   9.974   0.711
  419    HA   ASP  62           HA       ASP  62   8.967  11.589   1.393
  420   1HB   ASP  62          2HB       ASP  62   9.552   9.365   0.565
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1  10.370 -11.881  -2.990
    2   2H    MET   1          2H        MET   1   9.205 -11.298  -1.907
    3   3H    MET   1          3H        MET   1  10.714 -11.821  -1.333
    4    HA   MET   1           HA       MET   1  11.832 -10.060  -2.449
    5   1HB   MET   1          2HB       MET   1  10.272  -9.879  -4.357
    6   1HG   MET   1          2HG       MET   1  10.119  -7.448  -4.576
    7   1HE   MET   1          1HE       MET   1  11.972  -9.796  -5.543
    8   2HE   MET   1          2HE       MET   1  11.783  -8.288  -6.438
    9   3HE   MET   1          3HE       MET   1  13.396  -8.913  -6.095
   10    H    ASP   2           H        ASP   2  12.164  -8.023  -1.246
   11    HA   ASP   2           HA       ASP   2  10.224  -7.081   0.601
   12   1HB   ASP   2          2HB       ASP   2  11.543  -7.603   2.670
   13    H    GLU   3           H        GLU   3  10.626  -5.020  -0.108
   14    HA   GLU   3           HA       GLU   3  13.243  -3.906   0.538
   15   1HB   GLU   3          2HB       GLU   3  12.840  -4.756  -2.028
   16   1HG   GLU   3          2HG       GLU   3  14.994  -4.078  -1.379
   17    H    THR   4           H        THR   4  12.944  -1.838   1.392
   18    HA   THR   4           HA       THR   4  10.432  -0.461   0.776
   19    HB   THR   4           HB       THR   4  11.602  -0.459   3.555
   20    HG1  THR   4           1HG      THR   4  10.106  -2.443   2.266
   21   1HG2  THR   4          1HG2      THR   4   9.356   0.123   4.242
   22   2HG2  THR   4          2HG2      THR   4   8.773  -0.054   2.587
   23   3HG2  THR   4          3HG2      THR   4   9.899   1.244   2.994
   24    H    GLY   5           H        GLY   5  13.124  -0.051  -0.282
   25   1HA   GLY   5          1HA       GLY   5  13.819   2.555   0.926
   26   2HA   GLY   5          2HA       GLY   5  14.919   1.552  -0.007
   27    H    LYS   6           H        LYS   6  11.605   2.251  -0.860
   28    HA   LYS   6           HA       LYS   6  12.541   3.830  -3.168
   29   1HB   LYS   6          2HB       LYS   6  10.137   1.970  -2.914
   30   1HG   LYS   6          2HG       LYS   6  12.219   1.797  -5.071
   31   1HD   LYS   6          2HD       LYS   6  11.307  -0.350  -5.479
   32   1HE   LYS   6          2HE       LYS   6   8.988   0.071  -6.014
   33   1HZ   LYS   6          1HZ       LYS   6   9.227   1.923  -7.372
   34   2HZ   LYS   6          2HZ       LYS   6  10.806   1.325  -7.232
   35   3HZ   LYS   6          3HZ       LYS   6  10.325   2.684  -6.336
   36    H    GLU   7           H        GLU   7  10.041   4.763  -3.946
   37    HA   GLU   7           HA       GLU   7   9.484   6.797  -2.058
   38   1HB   GLU   7          2HB       GLU   7   7.459   7.304  -3.409
   39   1HG   GLU   7          2HG       GLU   7   7.064   4.885  -4.193
   40    H    LEU   8           H        LEU   8   8.207   6.841  -0.337
   41    HA   LEU   8           HA       LEU   8   6.849   4.317   0.281
   42   1HB   LEU   8          2HB       LEU   8   8.110   6.312   2.147
   43    HG   LEU   8           HG       LEU   8   9.765   4.918   0.997
   44   1HD1  LEU   8          1HD1      LEU   8  10.845   3.974   2.996
   45   2HD1  LEU   8          2HD1      LEU   8  10.226   5.601   3.282
   46   3HD1  LEU   8          3HD1      LEU   8   9.345   4.199   3.892
   47   1HD2  LEU   8          1HD2      LEU   8   8.204   2.626   2.153
   48   2HD2  LEU   8          2HD2      LEU   8   8.398   3.013   0.443
   49   3HD2  LEU   8          3HD2      LEU   8   9.790   2.491   1.392
   50    H    VAL   9           H        VAL   9   5.081   4.378   1.688
   51    HA   VAL   9           HA       VAL   9   3.525   6.876   1.657
   52    HB   VAL   9           HB       VAL   9   1.467   5.460   1.205
   53   1HG1  VAL   9          1HG1      VAL   9   1.750   5.557  -1.212
   54   2HG1  VAL   9          2HG1      VAL   9   2.365   7.008  -0.423
   55   3HG1  VAL   9          3HG1      VAL   9   3.489   5.777  -1.001
   56   1HG2  VAL   9          1HG2      VAL   9   1.822   3.396  -0.089
   57   2HG2  VAL   9          2HG2      VAL   9   3.550   3.504   0.243
   58   3HG2  VAL   9          3HG2      VAL   9   2.412   3.262   1.569
   59    H    LEU  10           H        LEU  10   1.820   6.917   3.208
   60    HA   LEU  10           HA       LEU  10   2.290   5.142   5.506
   61   1HB   LEU  10          2HB       LEU  10   2.570   7.500   6.011
   62    HG   LEU  10           HG       LEU  10   0.063   6.292   7.133
   63   1HD1  LEU  10          1HD1      LEU  10   1.405   6.194   9.177
   64   2HD1  LEU  10          2HD1      LEU  10   2.176   5.336   7.844
   65   3HD1  LEU  10          3HD1      LEU  10   2.758   6.932   8.317
   66   1HD2  LEU  10          1HD2      LEU  10  -0.010   8.148   8.746
   67   2HD2  LEU  10          2HD2      LEU  10   1.228   8.986   7.809
   68   3HD2  LEU  10          3HD2      LEU  10  -0.352   8.665   7.094
   69    H    ALA  11           H        ALA  11   0.739   3.714   6.037
   70    HA   ALA  11           HA       ALA  11  -1.745   3.668   4.602
   71   1HB   ALA  11          1HB       ALA  11  -2.225   1.681   5.827
   72   2HB   ALA  11          2HB       ALA  11  -0.504   1.640   5.439
   73   3HB   ALA  11          3HB       ALA  11  -1.036   2.076   7.067
   74    H    LEU  12           H        LEU  12  -3.202   5.234   5.047
   75    HA   LEU  12           HA       LEU  12  -3.380   6.572   7.536
   76   1HB   LEU  12          2HB       LEU  12  -5.098   6.520   5.077
   77    HG   LEU  12           HG       LEU  12  -3.498   8.703   6.402
   78   1HD1  LEU  12          1HD1      LEU  12  -2.161   7.214   5.073
   79   2HD1  LEU  12          2HD1      LEU  12  -3.274   7.389   3.713
   80   3HD1  LEU  12          3HD1      LEU  12  -2.323   8.771   4.259
   81   1HD2  LEU  12          1HD2      LEU  12  -5.347   8.875   4.024
   82   2HD2  LEU  12          2HD2      LEU  12  -5.632   9.600   5.607
   83   3HD2  LEU  12          3HD2      LEU  12  -4.292  10.164   4.604
   84    H    TYR  13           H        TYR  13  -5.242   3.938   6.091
   85    HA   TYR  13           HA       TYR  13  -6.749   3.748   8.615
   86   1HB   TYR  13          2HB       TYR  13  -7.919   2.961   5.951
   87    HD1  TYR  13           1HD      TYR  13  -8.863   5.653   8.340
   88    HD2  TYR  13           2HD      TYR  13  -7.663   4.659   4.387
   89    HE1  TYR  13           1HE      TYR  13  -9.331   7.959   7.622
   90    HE2  TYR  13           2HE      TYR  13  -8.110   6.960   3.659
   91    HH   TYR  13           HH       TYR  13  -9.548   8.862   4.372
   92    H    ASP  14           H        ASP  14  -7.719   1.562   8.914
   93    HA   ASP  14           HA       ASP  14  -5.714  -0.474   8.409
   94   1HB   ASP  14          2HB       ASP  14  -6.948  -0.033  10.646
   95    H    TYR  15           H        TYR  15  -5.893  -1.832   6.707
   96    HA   TYR  15           HA       TYR  15  -8.540  -2.007   5.422
   97   1HB   TYR  15          2HB       TYR  15  -6.904  -0.614   4.163
   98    HD1  TYR  15           1HD      TYR  15  -6.039  -3.307   2.065
   99    HD2  TYR  15           2HD      TYR  15  -9.384  -0.998   3.338
  100    HE1  TYR  15           1HE      TYR  15  -7.273  -3.980   0.032
  101    HE2  TYR  15           2HE      TYR  15 -10.616  -1.662   1.329
  102    HH   TYR  15           HH       TYR  15  -9.477  -4.125  -0.807
  103    H    GLN  16           H        GLN  16  -9.086  -3.929   4.376
  104    HA   GLN  16           HA       GLN  16  -7.408  -6.274   4.977
  105   1HB   GLN  16          2HB       GLN  16  -9.358  -6.171   6.508
  106   1HG   GLN  16          2HG       GLN  16 -10.459  -8.324   5.953
  107   1HE2  GLN  16          1HE2      GLN  16  -8.456 -10.211   4.922
  108   2HE2  GLN  16          2HE2      GLN  16  -7.198 -10.256   6.116
  109    H    GLU  17           H        GLU  17  -6.911  -7.384   3.205
  110    HA   GLU  17           HA       GLU  17  -7.591  -6.723   0.586
  111   1HB   GLU  17          2HB       GLU  17  -6.631  -8.909   0.010
  112   1HG   GLU  17          2HG       GLU  17  -6.971  -9.459   2.933
  113    H    LYS  18           H        LYS  18  -9.384  -6.882  -0.511
  114    HA   LYS  18           HA       LYS  18 -11.594  -8.520   0.486
  115   1HB   LYS  18          2HB       LYS  18 -11.490  -6.591  -1.848
  116   1HG   LYS  18          2HG       LYS  18 -12.629  -6.167   0.911
  117   1HD   LYS  18          2HD       LYS  18 -13.984  -5.203  -0.972
  118   1HE   LYS  18          2HE       LYS  18 -13.091  -3.104  -1.981
  119   1HZ   LYS  18          1HZ       LYS  18 -12.934  -5.476  -3.048
  120   2HZ   LYS  18          2HZ       LYS  18 -11.261  -5.207  -2.890
  121   3HZ   LYS  18          3HZ       LYS  18 -12.215  -4.136  -3.785
  122    H    SER  19           H        SER  19  -9.034  -8.859  -1.527
  123    HA   SER  19           HA       SER  19 -10.019 -11.188  -2.852
  124   1HB   SER  19          2HB       SER  19  -9.373  -8.705  -4.475
  125    HG   SER  19           HG       SER  19 -11.658  -9.557  -3.544
  126    HA   PRO  20           HA       PRO  20  -5.753 -12.322  -2.755
  127   1HB   PRO  20          2HB       PRO  20  -5.975 -13.131  -5.611
  128   1HG   PRO  20          2HG       PRO  20  -7.860 -14.475  -5.270
  129   1HD   PRO  20          2HD       PRO  20  -8.613 -12.271  -5.402
  130    H    ALA  21           H        ALA  21  -6.798  -9.918  -4.890
  131    HA   ALA  21           HA       ALA  21  -4.144  -9.402  -5.976
  132   1HB   ALA  21          1HB       ALA  21  -6.723  -7.905  -6.422
  133   2HB   ALA  21          2HB       ALA  21  -5.205  -7.647  -7.283
  134   3HB   ALA  21          3HB       ALA  21  -6.074  -9.173  -7.463
  135    H    GLU  22           H        GLU  22  -5.903  -8.619  -3.232
  136    HA   GLU  22           HA       GLU  22  -4.535  -6.026  -2.915
  137   1HB   GLU  22          2HB       GLU  22  -6.771  -6.960  -1.135
  138   1HG   GLU  22          2HG       GLU  22  -7.135  -5.629  -3.806
  139    H    VAL  23           H        VAL  23  -3.860  -5.559  -0.630
  140    HA   VAL  23           HA       VAL  23  -3.175  -8.008   0.837
  141    HB   VAL  23           HB       VAL  23  -1.068  -6.796   1.607
  142   1HG1  VAL  23          1HG1      VAL  23  -0.969  -8.719   0.164
  143   2HG1  VAL  23          2HG1      VAL  23  -1.310  -7.717  -1.250
  144   3HG1  VAL  23          3HG1      VAL  23   0.209  -7.521  -0.373
  145   1HG2  VAL  23          1HG2      VAL  23  -1.611  -5.182  -0.882
  146   2HG2  VAL  23          2HG2      VAL  23  -1.638  -4.571   0.774
  147   3HG2  VAL  23          3HG2      VAL  23  -0.127  -5.153   0.073
  148    H    THR  24           H        THR  24  -3.054  -7.827   3.062
  149    HA   THR  24           HA       THR  24  -4.846  -5.824   4.128
  150    HB   THR  24           HB       THR  24  -3.568  -8.264   5.357
  151    HG1  THR  24           1HG      THR  24  -5.132  -9.008   4.068
  152   1HG2  THR  24          1HG2      THR  24  -4.005  -6.572   7.082
  153   2HG2  THR  24          2HG2      THR  24  -5.101  -7.946   7.236
  154   3HG2  THR  24          3HG2      THR  24  -5.670  -6.436   6.524
  155    H    MET  25           H        MET  25  -4.237  -4.062   5.210
  156    HA   MET  25           HA       MET  25  -1.542  -3.956   6.357
  157   1HB   MET  25          2HB       MET  25  -1.112  -1.765   5.421
  158   1HG   MET  25          2HG       MET  25  -3.708  -2.003   3.918
  159   1HE   MET  25          1HE       MET  25  -3.528   1.710   2.459
  160   2HE   MET  25          2HE       MET  25  -4.521   0.255   2.505
  161   3HE   MET  25          3HE       MET  25  -4.226   1.167   3.983
  162    H    LYS  26           H        LYS  26  -1.281  -2.366   8.000
  163    HA   LYS  26           HA       LYS  26  -3.833  -1.657   9.293
  164   1HB   LYS  26          2HB       LYS  26  -1.131  -2.246  10.546
  165   1HG   LYS  26          2HG       LYS  26  -2.404  -3.787  11.973
  166   1HD   LYS  26          2HD       LYS  26  -2.792  -4.389   9.047
  167   1HE   LYS  26          2HE       LYS  26  -2.664  -6.697   9.697
  168   1HZ   LYS  26          1HZ       LYS  26  -4.664  -6.916  10.987
  169   2HZ   LYS  26          2HZ       LYS  26  -4.862  -5.647   9.879
  170   3HZ   LYS  26          3HZ       LYS  26  -4.563  -5.309  11.512
  171    H    LYS  27           H        LYS  27  -4.074   0.399  10.176
  172    HA   LYS  27           HA       LYS  27  -2.797   2.526   8.925
  173   1HB   LYS  27          2HB       LYS  27  -3.820   3.992  10.594
  174   1HG   LYS  27          2HG       LYS  27  -3.419   2.417  12.511
  175   1HD   LYS  27          2HD       LYS  27  -6.080   1.290  11.700
  176   1HE   LYS  27          2HE       LYS  27  -3.980   0.289  13.618
  177   1HZ   LYS  27          1HZ       LYS  27  -5.596  -1.324  14.234
  178   2HZ   LYS  27          2HZ       LYS  27  -5.437  -1.406  12.547
  179   3HZ   LYS  27          3HZ       LYS  27  -6.777  -0.627  13.240
  180    H    GLY  28           H        GLY  28  -1.174   3.919   9.565
  181   1HA   GLY  28          1HA       GLY  28   0.612   4.670  10.881
  182   2HA   GLY  28          2HA       GLY  28   0.313   3.344  12.001
  183    H    ASP  29           H        ASP  29   0.257   1.878   9.129
  184    HA   ASP  29           HA       ASP  29   2.993   0.968   9.330
  185   1HB   ASP  29          2HB       ASP  29   0.543   0.055   7.929
  186    H    ILE  30           H        ILE  30   4.575   1.247   7.831
  187    HA   ILE  30           HA       ILE  30   4.080   3.281   5.759
  188    HB   ILE  30           HB       ILE  30   6.606   2.454   7.203
  189   1HG1  ILE  30          2HG1      ILE  30   6.806   4.911   7.603
  190   1HG2  ILE  30          1HG2      ILE  30   7.145   2.565   4.832
  191   2HG2  ILE  30          2HG2      ILE  30   6.441   4.177   4.738
  192   3HG2  ILE  30          3HG2      ILE  30   7.888   3.901   5.709
  193   1HD1  ILE  30          1HD1      ILE  30   4.182   3.813   8.582
  194   2HD1  ILE  30          2HD1      ILE  30   5.751   3.580   9.353
  195   3HD1  ILE  30          3HD1      ILE  30   5.055   5.196   9.243
  196    H    LEU  31           H        LEU  31   3.934   2.536   3.727
  197    HA   LEU  31           HA       LEU  31   5.031  -0.158   3.240
  198   1HB   LEU  31          2HB       LEU  31   2.841   0.850   1.505
  199    HG   LEU  31           HG       LEU  31   1.435   1.052   3.299
  200   1HD1  LEU  31          1HD1      LEU  31   0.099  -0.969   3.362
  201   2HD1  LEU  31          2HD1      LEU  31   0.672  -0.624   1.730
  202   3HD1  LEU  31          3HD1      LEU  31   1.454  -1.885   2.686
  203   1HD2  LEU  31          1HD2      LEU  31   2.924   0.531   5.121
  204   2HD2  LEU  31          2HD2      LEU  31   1.447  -0.416   5.287
  205   3HD2  LEU  31          3HD2      LEU  31   2.920  -1.178   4.680
  206    H    THR  32           H        THR  32   5.822  -0.603   1.132
  207    HA   THR  32           HA       THR  32   7.101   1.671  -0.124
  208    HB   THR  32           HB       THR  32   7.159  -1.176  -1.118
  209    HG1  THR  32           1HG      THR  32   8.956  -1.483   0.258
  210   1HG2  THR  32          1HG2      THR  32   8.125   0.495  -2.600
  211   2HG2  THR  32          2HG2      THR  32   9.393  -0.523  -1.918
  212   3HG2  THR  32          3HG2      THR  32   9.133   1.104  -1.286
  213    H    LEU  33           H        LEU  33   6.343   2.731  -1.903
  214    HA   LEU  33           HA       LEU  33   3.964   1.755  -3.241
  215   1HB   LEU  33          2HB       LEU  33   5.328   4.278  -3.000
  216    HG   LEU  33           HG       LEU  33   2.958   4.132  -2.523
  217   1HD1  LEU  33          1HD1      LEU  33   2.176   6.034  -3.834
  218   2HD1  LEU  33          2HD1      LEU  33   3.844   6.265  -3.306
  219   3HD1  LEU  33          3HD1      LEU  33   3.501   5.797  -4.973
  220   1HD2  LEU  33          1HD2      LEU  33   2.605   3.475  -5.448
  221   2HD2  LEU  33          2HD2      LEU  33   2.360   2.359  -4.105
  222   3HD2  LEU  33          3HD2      LEU  33   1.308   3.765  -4.287
  223    H    LEU  34           H        LEU  34   4.046   0.336  -4.831
  224    HA   LEU  34           HA       LEU  34   6.522   0.025  -6.366
  225   1HB   LEU  34          2HB       LEU  34   4.038  -1.684  -6.454
  226    HG   LEU  34           HG       LEU  34   4.968  -1.757  -4.165
  227   1HD1  LEU  34          1HD1      LEU  34   3.898  -3.711  -5.143
  228   2HD1  LEU  34          2HD1      LEU  34   5.449  -4.236  -5.798
  229   3HD1  LEU  34          3HD1      LEU  34   5.206  -4.172  -4.054
  230   1HD2  LEU  34          1HD2      LEU  34   7.278  -1.197  -4.652
  231   2HD2  LEU  34          2HD2      LEU  34   7.187  -2.748  -3.819
  232   3HD2  LEU  34          3HD2      LEU  34   7.471  -2.698  -5.559
  233    H    ASN  35           H        ASN  35   3.045   0.453  -6.802
  234    HA   ASN  35           HA       ASN  35   3.539   1.761  -9.365
  235   1HB   ASN  35          2HB       ASN  35   3.052  -0.693  -9.756
  236   1HD2  ASN  35          1HD2      ASN  35   3.483   0.017 -11.787
  237   2HD2  ASN  35          2HD2      ASN  35   2.280   0.667 -12.849
  238    H    SER  36           H        SER  36   2.505   3.645  -9.313
  239    HA   SER  36           HA       SER  36  -0.094   3.761  -7.952
  240   1HB   SER  36          2HB       SER  36   0.536   6.099  -7.231
  241    HG   SER  36           HG       SER  36   2.847   5.377  -8.534
  242    H    THR  37           H        THR  37   0.539   3.406 -10.763
  243    HA   THR  37           HA       THR  37   0.138   5.921 -12.082
  244    HB   THR  37           HB       THR  37   1.315   3.911 -13.095
  245    HG1  THR  37           1HG      THR  37  -0.594   5.554 -14.314
  246   1HG2  THR  37          1HG2      THR  37  -1.525   3.003 -13.590
  247   2HG2  THR  37          2HG2      THR  37  -0.367   2.211 -12.522
  248   3HG2  THR  37          3HG2      THR  37  -0.068   2.267 -14.259
  249    H    ASN  38           H        ASN  38  -1.849   3.950 -10.339
  250    HA   ASN  38           HA       ASN  38  -4.268   4.559 -11.872
  251   1HB   ASN  38          2HB       ASN  38  -3.716   2.276 -10.783
  252   1HD2  ASN  38          1HD2      ASN  38  -5.371   0.785 -10.698
  253   2HD2  ASN  38          2HD2      ASN  38  -7.031   1.238 -10.938
  254    H    LYS  39           H        LYS  39  -6.099   5.432 -10.616
  255    HA   LYS  39           HA       LYS  39  -5.166   7.296  -8.534
  256   1HB   LYS  39          2HB       LYS  39  -7.067   8.752  -9.142
  257   1HG   LYS  39          2HG       LYS  39  -7.404   7.084 -11.614
  258   1HD   LYS  39          2HD       LYS  39  -9.403   8.450 -11.909
  259   1HE   LYS  39          2HE       LYS  39  -6.937  10.111 -11.420
  260   1HZ   LYS  39          1HZ       LYS  39  -8.894  11.476 -11.723
  261   2HZ   LYS  39          2HZ       LYS  39  -9.313  10.626 -13.133
  262   3HZ   LYS  39          3HZ       LYS  39  -7.906  11.572 -13.102
  263    H    ASP  40           H        ASP  40  -6.926   4.505  -8.961
  264    HA   ASP  40           HA       ASP  40  -8.629   5.121  -6.648
  265   1HB   ASP  40          2HB       ASP  40  -9.021   2.904  -8.675
  266    H    TRP  41           H        TRP  41  -6.276   2.891  -7.997
  267    HA   TRP  41           HA       TRP  41  -6.074   1.538  -5.393
  268   1HB   TRP  41          2HB       TRP  41  -6.263   0.201  -8.100
  269    HD1  TRP  41           HD       TRP  41  -8.837   0.854  -8.353
  270    HE1  TRP  41           1HE      TRP  41 -10.957  -0.044  -7.168
  271    HE3  TRP  41           3HE      TRP  41  -6.629  -1.482  -4.373
  272    HZ2  TRP  41           2HZ      TRP  41 -11.586  -1.526  -4.853
  273    HZ3  TRP  41           3HZ      TRP  41  -8.054  -2.610  -2.722
  274    HH2  TRP  41           HH       TRP  41 -10.483  -2.629  -2.958
  275    H    TRP  42           H        TRP  42  -4.001   1.303  -4.714
  276    HA   TRP  42           HA       TRP  42  -1.884   1.668  -6.739
  277   1HB   TRP  42          2HB       TRP  42  -2.012   2.589  -3.871
  278    HD1  TRP  42           HD       TRP  42  -2.769   3.516  -7.296
  279    HE1  TRP  42           1HE      TRP  42  -2.785   6.057  -7.627
  280    HE3  TRP  42           3HE      TRP  42  -0.444   4.891  -2.972
  281    HZ2  TRP  42           2HZ      TRP  42  -1.943   8.338  -6.222
  282    HZ3  TRP  42           3HZ      TRP  42  -0.087   7.288  -2.544
  283    HH2  TRP  42           HH       TRP  42  -0.823   8.966  -4.139
  284    H    LYS  43           H        LYS  43  -0.235   0.240  -6.798
  285    HA   LYS  43           HA       LYS  43  -0.534  -2.166  -5.175
  286   1HB   LYS  43          2HB       LYS  43  -0.263  -2.418  -7.618
  287   1HG   LYS  43          2HG       LYS  43   2.198  -3.419  -6.171
  288   1HD   LYS  43          2HD       LYS  43   2.445  -4.996  -7.834
  289   1HE   LYS  43          2HE       LYS  43   1.125  -2.777  -9.393
  290   1HZ   LYS  43          1HZ       LYS  43   1.447  -4.816 -10.674
  291   2HZ   LYS  43          2HZ       LYS  43   3.093  -4.828 -10.268
  292   3HZ   LYS  43          3HZ       LYS  43   2.469  -3.578 -11.222
  293    H    VAL  44           H        VAL  44   0.558  -2.348  -3.363
  294    HA   VAL  44           HA       VAL  44   3.156  -0.987  -3.112
  295    HB   VAL  44           HB       VAL  44   2.627  -0.403  -0.791
  296   1HG1  VAL  44          1HG1      VAL  44   0.616   0.651  -2.776
  297   2HG1  VAL  44          2HG1      VAL  44   1.038   1.409  -1.240
  298   3HG1  VAL  44          3HG1      VAL  44   2.248   1.264  -2.515
  299   1HG2  VAL  44          1HG2      VAL  44   0.238  -0.513  -0.055
  300   2HG2  VAL  44          2HG2      VAL  44  -0.091  -1.522  -1.463
  301   3HG2  VAL  44          3HG2      VAL  44   1.026  -2.084  -0.215
  302    H    GLU  45           H        GLU  45   4.477  -1.860  -1.317
  303    HA   GLU  45           HA       GLU  45   3.936  -4.724  -0.904
  304   1HB   GLU  45          2HB       GLU  45   5.973  -4.332  -2.221
  305   1HG   GLU  45          2HG       GLU  45   6.667  -5.183   0.588
  306    H    VAL  46           H        VAL  46   3.284  -5.176   1.040
  307    HA   VAL  46           HA       VAL  46   4.152  -3.531   3.324
  308    HB   VAL  46           HB       VAL  46   2.289  -5.598   4.042
  309   1HG1  VAL  46          1HG1      VAL  46   2.774  -3.547   5.298
  310   2HG1  VAL  46          2HG1      VAL  46   1.960  -2.615   4.045
  311   3HG1  VAL  46          3HG1      VAL  46   1.054  -3.784   5.004
  312   1HG2  VAL  46          1HG2      VAL  46   0.322  -4.846   2.828
  313   2HG2  VAL  46          2HG2      VAL  46   1.325  -3.757   1.871
  314   3HG2  VAL  46          3HG2      VAL  46   1.543  -5.501   1.739
  315    H    ASN  47           H        ASN  47   5.680  -4.328   4.530
  316    HA   ASN  47           HA       ASN  47   7.277  -5.588   5.410
  317   1HB   ASN  47          2HB       ASN  47   6.367  -7.906   6.271
  318   1HD2  ASN  47          1HD2      ASN  47   3.829  -5.718   7.046
  319   2HD2  ASN  47          2HD2      ASN  47   2.540  -6.716   6.477
  320    H    ASP  48           H        ASP  48   5.425  -8.082   3.802
  321    HA   ASP  48           HA       ASP  48   7.871  -8.944   2.403
  322   1HB   ASP  48          2HB       ASP  48   6.112 -10.720   4.115
  323    H    ARG  49           H        ARG  49   5.060  -7.792   1.653
  324    HA   ARG  49           HA       ARG  49   4.460  -9.800  -0.342
  325   1HB   ARG  49          2HB       ARG  49   2.300  -8.974   1.603
  326   1HG   ARG  49          2HG       ARG  49   2.236 -11.716   1.467
  327   1HD   ARG  49          2HD       ARG  49   3.363  -9.796   3.411
  328    HE   ARG  49           HE       ARG  49   4.216 -12.433   3.468
  329   1HH1  ARG  49          2HH1      ARG  49   2.557 -10.187   5.563
  330   2HH1  ARG  49          1HH1      ARG  49   3.150 -10.894   7.029
  331   1HH2  ARG  49          2HH2      ARG  49   5.025 -13.375   5.403
  332   2HH2  ARG  49          1HH2      ARG  49   4.549 -12.713   6.939
  333    H    GLN  50           H        GLN  50   3.232  -9.104  -2.027
  334    HA   GLN  50           HA       GLN  50   3.070  -6.169  -2.245
  335   1HB   GLN  50          2HB       GLN  50   3.903  -8.211  -4.305
  336   1HG   GLN  50          2HG       GLN  50   5.343  -5.801  -3.218
  337   1HE2  GLN  50          1HE2      GLN  50   7.860  -7.048  -3.599
  338   2HE2  GLN  50          2HE2      GLN  50   8.175  -7.076  -5.311
  339    H    GLY  51           H        GLY  51   1.127  -5.389  -2.664
  340   1HA   GLY  51          1HA       GLY  51  -0.712  -6.767  -4.402
  341   2HA   GLY  51          2HA       GLY  51  -1.212  -6.770  -2.717
  342    H    PHE  52           H        PHE  52  -2.964  -5.607  -4.172
  343    HA   PHE  52           HA       PHE  52  -2.356  -2.765  -4.427
  344   1HB   PHE  52          2HB       PHE  52  -4.708  -4.453  -5.277
  345    HD1  PHE  52           1HD      PHE  52  -3.481  -1.551  -7.056
  346    HD2  PHE  52           2HD      PHE  52  -3.179  -5.777  -6.671
  347    HE1  PHE  52           1HE      PHE  52  -2.346  -1.666  -9.243
  348    HE2  PHE  52           2HE      PHE  52  -2.055  -5.903  -8.848
  349    HZ   PHE  52           HZ       PHE  52  -1.636  -3.846 -10.143
  350    H    VAL  53           H        VAL  53  -3.282  -1.194  -3.288
  351    HA   VAL  53           HA       VAL  53  -5.411  -1.858  -1.384
  352    HB   VAL  53           HB       VAL  53  -4.457  -0.403   0.320
  353   1HG1  VAL  53          1HG1      VAL  53  -2.437  -2.429  -0.621
  354   2HG1  VAL  53          2HG1      VAL  53  -2.530  -1.739   0.999
  355   3HG1  VAL  53          3HG1      VAL  53  -3.840  -2.755   0.397
  356   1HG2  VAL  53          1HG2      VAL  53  -2.203   0.518   0.112
  357   2HG2  VAL  53          2HG2      VAL  53  -2.122  -0.071  -1.551
  358   3HG2  VAL  53          3HG2      VAL  53  -3.294   1.174  -1.111
  359    HA   PRO  54           HA       PRO  54  -7.497   1.711  -3.001
  360   1HB   PRO  54          2HB       PRO  54  -7.820   2.611  -0.186
  361   1HG   PRO  54          2HG       PRO  54  -8.777   0.625   0.553
  362   1HD   PRO  54          2HD       PRO  54  -6.542   0.053   0.427
  363    H    ALA  55           H        ALA  55  -6.540   3.440  -3.863
  364    HA   ALA  55           HA       ALA  55  -4.190   4.624  -2.880
  365   1HB   ALA  55          1HB       ALA  55  -4.624   6.388  -4.552
  366   2HB   ALA  55          2HB       ALA  55  -4.757   4.756  -5.218
  367   3HB   ALA  55          3HB       ALA  55  -6.215   5.684  -4.841
  368    H    ALA  56           H        ALA  56  -7.530   5.150  -2.172
  369    HA   ALA  56           HA       ALA  56  -7.212   7.756  -0.996
  370   1HB   ALA  56          1HB       ALA  56  -9.498   5.807  -0.690
  371   2HB   ALA  56          2HB       ALA  56  -9.522   7.535  -0.337
  372   3HB   ALA  56          3HB       ALA  56  -9.341   6.980  -2.000
  373    H    TYR  57           H        TYR  57  -6.120   4.833  -0.023
  374    HA   TYR  57           HA       TYR  57  -6.676   5.333   2.834
  375   1HB   TYR  57          2HB       TYR  57  -6.230   2.810   1.277
  376    HD1  TYR  57           1HD      TYR  57  -7.342   1.806   4.312
  377    HD2  TYR  57           2HD      TYR  57  -8.716   4.090   0.989
  378    HE1  TYR  57           1HE      TYR  57  -9.660   1.299   4.932
  379    HE2  TYR  57           2HE      TYR  57 -11.040   3.606   1.609
  380    HH   TYR  57           HH       TYR  57 -11.948   2.413   4.579
  381    H    VAL  58           H        VAL  58  -4.450   6.081   0.705
  382    HA   VAL  58           HA       VAL  58  -2.219   5.663   2.538
  383    HB   VAL  58           HB       VAL  58  -2.614   4.252   0.073
  384   1HG1  VAL  58          1HG1      VAL  58  -1.378   5.984  -1.027
  385   2HG1  VAL  58          2HG1      VAL  58  -0.109   5.901   0.195
  386   3HG1  VAL  58          3HG1      VAL  58  -0.375   4.540  -0.892
  387   1HG2  VAL  58          1HG2      VAL  58  -1.910   3.231   2.154
  388   2HG2  VAL  58          2HG2      VAL  58  -0.728   2.934   0.878
  389   3HG2  VAL  58          3HG2      VAL  58  -0.406   4.152   2.112
  390    H    LYS  59           H        LYS  59  -0.624   7.221   2.436
  391    HA   LYS  59           HA       LYS  59  -0.954   9.393   0.482
  392   1HB   LYS  59          2HB       LYS  59  -1.995  10.017   2.682
  393   1HG   LYS  59          2HG       LYS  59   0.441  11.570   1.859
  394   1HD   LYS  59          2HD       LYS  59  -0.723  13.430   3.155
  395   1HE   LYS  59          2HE       LYS  59   0.271  12.701   5.325
  396   1HZ   LYS  59          1HZ       LYS  59   1.945  12.250   2.908
  397   2HZ   LYS  59          2HZ       LYS  59   2.545  12.503   4.471
  398   3HZ   LYS  59          3HZ       LYS  59   1.685  13.732   3.687
  399    H    LYS  60           H        LYS  60   0.974  10.252  -0.272
  400    HA   LYS  60           HA       LYS  60   3.332   8.747  -0.087
  401   1HB   LYS  60          2HB       LYS  60   3.474  11.683  -0.640
  402   1HG   LYS  60          2HG       LYS  60   1.425  10.831  -1.779
  403   1HD   LYS  60          2HD       LYS  60   3.458   9.083  -3.098
  404   1HE   LYS  60          2HE       LYS  60   2.562  10.220  -4.985
  405   1HZ   LYS  60          1HZ       LYS  60  -0.052  10.088  -3.599
  406   2HZ   LYS  60          2HZ       LYS  60   0.103  10.472  -5.245
  407   3HZ   LYS  60          3HZ       LYS  60   0.808  11.476  -4.070
  408    H    LEU  61           H        LEU  61   5.070   8.815   1.256
  409    HA   LEU  61           HA       LEU  61   5.092  10.781   3.411
  410   1HB   LEU  61          2HB       LEU  61   6.992   8.513   2.808
  411    HG   LEU  61           HG       LEU  61   4.763   7.699   3.571
  412   1HD1  LEU  61          1HD1      LEU  61   5.646   6.278   5.343
  413   2HD1  LEU  61          2HD1      LEU  61   6.803   6.448   4.024
  414   3HD1  LEU  61          3HD1      LEU  61   7.033   7.353   5.520
  415   1HD2  LEU  61          1HD2      LEU  61   4.229   8.085   5.988
  416   2HD2  LEU  61          2HD2      LEU  61   5.428   9.378   5.984
  417   3HD2  LEU  61          3HD2      LEU  61   4.001   9.491   4.954
  418    H    ASP  62           H        ASP  62   6.786   9.974   0.467
  419    HA   ASP  62           HA       ASP  62   8.067  12.577   0.479
  420   1HB   ASP  62          2HB       ASP  62   9.794  11.231   1.488