*HEADER    METAL BINDING PROTEIN                   08-JAN-03   1J2O              
*TITLE     STRUCTURE OF FLIN2, A COMPLEX CONTAINING THE N-TERMINAL LIM           
*TITLE    2 DOMAIN OF LMO2 AND LDB1-LID                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: FUSION OF RHOMBOTIN-2 AND LIM DOMAIN-BINDING               
*COMPND   3 PROTEIN 1;                                                           
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: FLIN2;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 OTHER_DETAILS: PROTEIN IS A FUSION OF THE N-TERMINAL LIM             
*COMPND   8 DOMAIN OF LMO2 (RESIDUES 26-87) FOLLOWED BY AN ELEVEN                
*COMPND   9 RESIDUE LINKER (GGSGGHMGSGG) THAN THE LID DOMAIN FROM LDB1           
*COMPND  10 (RESIDUES 300-339). ORIGINALLY EXPRESSED AS A FUSION WITH            
*COMPND  11 GST. GST PORTION REMOVED BY TREATMENT WITH THROMBIN.                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
*SOURCE   3 ORGANISM_COMMON: MOUSE;                                              
*SOURCE   4 GENE: LMO2, LDB1;                                                    
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PGEX-2T                                   
*KEYWDS    LIM DOMAIN, LIM-INTERACTION-DOMAIN (LID)                              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.E.DEANE, J.P.MACKAY, A.H.-Y.KWAN, E.Y.SUM, J.E.VISVADER,            
*AUTHOR   2 J.M.MATTHEWS                                                         
*REVDAT   1   13-MAY-03 1J2O    0                                                

 ASSI {    2}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      3.554 ppm2     10.054 CV     1
 ASSI {    3}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      2.400     2.400     3.600 peak     3 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      3.550 ppm2      0.598 CV     1
 ASSI {    4}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HG2%)
      2.600     0.800     0.800 peak     4 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      3.554 ppm2      0.493 CV     1
 ASSI {    9}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      4.591 ppm2      9.666 CV     1
 ASSI {   10}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      3.882 ppm2      9.466 CV     1
 ASSI {   12}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.25345E-02 ppm1      3.887 ppm2      1.798 CV     1
 ASSI {   13}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     2.400     3.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      1.789 ppm2      9.463 CV     1
 ASSI {   14}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.600     0.800     0.800 peak    14 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      4.506 ppm2      8.542 CV     1
 ASSI {   15}
   (( segid "    " and resid 70   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      2.567 ppm2      8.536 CV     1
 ASSI {   16}
   (( segid "    " and resid 70   and name HG3 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      2.492 ppm2      8.535 CV     1
 ASSI {   17}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      2.093 ppm2      8.539 CV     1
 ASSI {   18}
   (( segid "    " and resid 70   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     2.500     3.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      2.003 ppm2      8.542 CV     1
 ASSI {   19}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      5.874 ppm2      9.353 CV     1
 ASSI {   20}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.300     0.700     0.700 peak    20 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      6.094 ppm2      9.346 CV     1
 ASSI {   21}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      5.568 ppm2      9.302 CV     1
 ASSI {   23}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      5.667 ppm2      9.140 CV     1
 ASSI {   24}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      5.120 ppm2      9.162 CV     1
 ASSI {   25}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      4.673 ppm2      9.132 CV     1
 ASSI {   26}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak    26 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.673 ppm2      9.067 CV     1
 ASSI {   28}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak    28 spectrum    1 weight  0.10000E+01 volume  0.35735E-02 ppm1      1.137 ppm2      9.131 CV     1
 ASSI {   29}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      4.253 ppm2      8.995 CV     1
 ASSI {   31}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.500     0.800     0.800 peak    31 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.669 ppm2      8.860 CV     1
 ASSI {   32}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     2.400     3.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      3.961 ppm2      8.893 CV     1
 ASSI {   33}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      4.581 ppm2      8.888 CV     1
 ASSI {   34}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      4.566 ppm2      8.873 CV     1
 ASSI {   36}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      4.017 ppm2      8.831 CV     1
 ASSI {   39}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.25345E-02 ppm1      4.693 ppm2      8.737 CV     1
 ASSI {   40}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      4.834 ppm2      8.837 CV     1
 ASSI {   41}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.36221E-02 ppm1      5.056 ppm2      8.818 CV     1
 ASSI {   43}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      1.202 ppm2      8.892 CV     1
 ASSI {   44}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB  ))
      2.400     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      4.579 ppm2      3.963 CV     1
 ASSI {   45}
   (( segid "    " and resid 98   and name HB  ))
   (  segid "    " and resid 98   and name HG2%)
      2.600     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      3.963 ppm2      1.203 CV     1
 ASSI {   46}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HG2%)
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      4.585 ppm2      1.207 CV     1
 ASSI {   50}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      1.410 ppm2      9.066 CV     1
 ASSI {   53}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.500     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      4.802 ppm2      9.328 CV     1
 ASSI {   54}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak    54 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      4.600 ppm2      8.838 CV     1
 ASSI {   55}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      4.653 ppm2      8.861 CV     1
 ASSI {   58}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      4.169 ppm2      8.781 CV     1
 ASSI {   59}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      4.925 ppm2      8.730 CV     1
 ASSI {   60}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak    60 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      4.932 ppm2      8.699 CV     1
 ASSI {   62}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.515 ppm2      8.645 CV     1
 ASSI {   63}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     2.400     3.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      2.547 ppm2      8.861 CV     1
 ASSI {   64}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      3.982 ppm2      8.685 CV     1
 ASSI {   65}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     2.400     3.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.33210E-02 ppm1      2.868 ppm2      8.676 CV     1
 ASSI {   66}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.500     0.800     0.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      3.985 ppm2      2.863 CV     1
 ASSI {   67}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     2.400     3.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      2.696 ppm2      8.640 CV     1
 ASSI {   68}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak    68 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      2.774 ppm2      8.640 CV     1
 ASSI {   69}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.500     0.800     0.800 peak    69 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.524 ppm2      2.704 CV     1
 ASSI {   70}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      4.524 ppm2      2.777 CV     1
 ASSI {   71}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.500     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      4.980 ppm2      8.490 CV     1
 ASSI {   72}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      5.017 ppm2      8.241 CV     1
 ASSI {   73}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.300     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      4.918 ppm2      8.018 CV     1
 ASSI {   74}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      5.015 ppm2      7.990 CV     1
 ASSI {   78}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.200     2.200     3.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.50010E-02 ppm1      4.464 ppm2      8.594 CV     1
 ASSI {   79}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      4.686 ppm2      8.438 CV     1
 ASSI {   81}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      6.000     4.500     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.698 ppm2      8.174 CV     1
 ASSI {   82}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      4.669 ppm2      8.270 CV     1
 ASSI {   83}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.627 ppm2      8.293 CV     1
 ASSI {   84}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.600     0.800     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.19810E-02 ppm1      4.690 ppm2      8.335 CV     1
 ASSI {   85}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      6.000     4.500     0.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.502 ppm2      8.361 CV     1
 ASSI {   86}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      6.000     4.500     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.494 ppm2      8.399 CV     1
 ASSI {   88}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     0.700     0.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.32336E-02 ppm1      2.837 ppm2      8.177 CV     1
 ASSI {   89}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.27093E-02 ppm1      2.724 ppm2      8.176 CV     1
 ASSI {   90}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      4.644 ppm2      2.697 CV     1
 ASSI {   91}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB3 ))
      2.400     0.700     0.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      4.630 ppm2      2.604 CV     1
 ASSI {   92}
   (( segid "    " and resid 75   and name HB3 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak    92 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      2.617 ppm2      8.297 CV     1
 ASSI {   93}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      2.709 ppm2      8.296 CV     1
 ASSI {   94}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB2 ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      4.701 ppm2      2.827 CV     1
 ASSI {   95}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HB3 ))
      2.400     0.700     0.700 peak    95 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      4.699 ppm2      2.713 CV     1
 ASSI {   97}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      4.490 ppm2      8.161 CV     1
 ASSI {   99}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.350 ppm2      8.111 CV     1
 ASSI {  100}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     0.800     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      4.385 ppm2      8.212 CV     1
 ASSI {  101}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      4.410 ppm2      8.332 CV     1
 ASSI {  102}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     0.700     0.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      4.451 ppm2      8.422 CV     1
 ASSI {  104}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 2    and name HN  ))
      2.400     0.700     0.700 peak   104 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      3.764 ppm2      8.591 CV     1
 OR {  104}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  105}
   (( segid "    " and resid 74   and name HA2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak   105 spectrum    1 weight  0.10000E+01 volume  0.20392E-02 ppm1      3.912 ppm2      8.167 CV     1
 OR {  105}
   (( segid "    " and resid 74   and name HA1 ))
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  106}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      6.000     4.500     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.111 ppm2      8.235 CV     1
 ASSI {  107}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      4.130 ppm2      8.167 CV     1
 ASSI {  108}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.500     0.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.071 ppm2      8.233 CV     1
 ASSI {  109}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      4.210 ppm2      8.346 CV     1
 ASSI {  110}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 103  and name HN  ))
      2.600     0.800     0.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      4.266 ppm2      8.401 CV     1
 ASSI {  111}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      4.270 ppm2      8.425 CV     1
 ASSI {  113}
   (( segid "    " and resid 86   and name HA1 ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     0.700     0.700 peak   113 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      4.248 ppm2      8.465 CV     1
 ASSI {  114}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 90   and name HN  ))
      2.500     0.800     0.800 peak   114 spectrum    1 weight  0.10000E+01 volume  0.27093E-02 ppm1      4.074 ppm2      8.514 CV     1
 OR {  114}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 90   and name HN  ))
 ASSI {  116}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      4.108 ppm2      8.029 CV     1
 ASSI {  117}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      2.500     0.800     0.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      4.218 ppm2      7.989 CV     1
 ASSI {  119}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.500     0.800     0.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.25539E-02 ppm1      4.211 ppm2      8.026 CV     1
 ASSI {  120}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      4.351 ppm2      8.130 CV     1
 ASSI {  121}
   (( segid "    " and resid 83   and name HB  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.219 ppm2      8.204 CV     1
 ASSI {  122}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      6.000     4.500     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.296 ppm2      8.207 CV     1
 ASSI {  123}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.35929E-02 ppm1      4.356 ppm2      8.237 CV     1
 ASSI {  124}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      4.293 ppm2      7.951 CV     1
 ASSI {  125}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      4.244 ppm2      8.141 CV     1
 ASSI {  126}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     2.500     3.500 peak   126 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      3.639 ppm2      8.148 CV     1
 ASSI {  128}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.500     0.800     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      4.231 ppm2      3.641 CV     1
 ASSI {  129}
   (( segid "    " and resid 112  and name HB2 ))
   (( segid "    " and resid 112  and name HN  ))
      2.400     2.400     3.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      2.775 ppm2      8.434 CV     1
 ASSI {  131}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB2 ))
      6.000     4.500     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.665 ppm2      2.762 CV     1
 ASSI {  132}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 112  and name HB3 ))
      2.500     0.800     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      4.647 ppm2      2.626 CV     1
 ASSI {  133}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      4.723 ppm2      8.399 CV     1
 ASSI {  135}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 69   and name HN  ))
      2.500     2.500     3.500 peak   135 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      3.168 ppm2      8.404 CV     1
 ASSI {  136}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB3 ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      4.723 ppm2      3.142 CV     1
 ASSI {  137}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.800     0.800 peak   137 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      4.717 ppm2      3.249 CV     1
 ASSI {  138}
   (( segid "    " and resid 71   and name HA2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      4.041 ppm2      8.515 CV     1
 OR {  138}
   (( segid "    " and resid 71   and name HA1 ))
   (( segid "    " and resid 71   and name HN  ))
 ASSI {  139}
   (( segid "    " and resid 73   and name HA2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   139 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      4.004 ppm2      8.582 CV     1
 OR {  139}
   (( segid "    " and resid 73   and name HA1 ))
   (( segid "    " and resid 73   and name HN  ))
 ASSI {  140}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.19907E-02 ppm1      3.965 ppm2      8.405 CV     1
 OR {  140}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 OR {  140}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 69   and name HN  ))
 ASSI {  141}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      3.996 ppm2      8.425 CV     1
 OR {  141}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI {  142}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   142 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      3.178 ppm2      7.933 CV     1
 ASSI {  143}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      3.454 ppm2      7.933 CV     1
 ASSI {  144}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      4.468 ppm2      3.771 CV     1
 OR {  144}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB3 ))
 ASSI {  146}
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     2.400     3.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      2.163 ppm2      8.424 CV     1
 ASSI {  147}
   (( segid "    " and resid 88   and name HG3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.500     0.800     0.800 peak   147 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      2.092 ppm2      8.422 CV     1
 ASSI {  148}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      1.918 ppm2      8.425 CV     1
 ASSI {  149}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.400     2.400     3.600 peak   149 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      1.847 ppm2      8.424 CV     1
 ASSI {  154}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB3 ))
      2.500     0.800     0.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      4.270 ppm2      1.845 CV     1
 ASSI {  155}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.270 ppm2      1.912 CV     1
 ASSI {  156}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG3 ))
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      4.269 ppm2      2.091 CV     1
 ASSI {  157}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG2 ))
      2.500     0.800     0.800 peak   157 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.267 ppm2      2.166 CV     1
 ASSI {  158}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 70   and name HG2 ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      2.578 CV     1
 OR {  158}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
 ASSI {  159}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG3 ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.495 ppm2      2.511 CV     1
 ASSI {  160}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB3 ))
      2.500     0.800     0.800 peak   160 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      4.495 ppm2      2.008 CV     1
 ASSI {  165}
   (( segid "    " and resid 77   and name HG3 ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.700     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.36124E-02 ppm1      2.483 ppm2      8.402 CV     1
 ASSI {  166}
   (( segid "    " and resid 77   and name HG2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      2.568 ppm2      8.402 CV     1
 ASSI {  167}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      2.030 ppm2      8.402 CV     1
 ASSI {  168}
   (( segid "    " and resid 77   and name HB3 ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     2.500     3.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      1.988 ppm2      8.404 CV     1
 ASSI {  173}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak   173 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      2.632 ppm2      8.149 CV     1
 ASSI {  174}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.500     0.800     0.800 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      2.527 ppm2      8.149 CV     1
 ASSI {  175}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB2 ))
      2.400     0.700     0.700 peak   175 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      4.495 ppm2      2.618 CV     1
 ASSI {  176}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HB3 ))
      2.500     0.800     0.800 peak   176 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.494 ppm2      2.531 CV     1
 ASSI {  177}
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HN  ))
      2.400     0.700     0.700 peak   177 spectrum    1 weight  0.10000E+01 volume  0.31268E-02 ppm1      2.748 ppm2      8.261 CV     1
 ASSI {  178}
   (( segid "    " and resid 113  and name HB3 ))
   (( segid "    " and resid 113  and name HN  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      2.649 ppm2      8.263 CV     1
 ASSI {  180}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 113  and name HB2 ))
      2.400     0.700     0.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      4.644 ppm2      2.723 CV     1
 ASSI {  183}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     2.400     3.600 peak   183 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      2.607 ppm2      8.367 CV     1
 ASSI {  184}
   (( segid "    " and resid 85   and name HG3 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     2.400     3.600 peak   184 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      2.520 ppm2      8.367 CV     1
 ASSI {  185}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.29715E-02 ppm1      2.130 ppm2      8.371 CV     1
 ASSI {  186}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   186 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      2.014 ppm2      8.367 CV     1
 ASSI {  187}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HB2 ))
      2.500     0.800     0.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      4.507 ppm2      2.112 CV     1
 ASSI {  188}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HG2 ))
      2.400     0.700     0.700 peak   188 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      4.498 ppm2      2.603 CV     1
 ASSI {  189}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.400     2.400     3.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      2.819 ppm2      8.325 CV     1
 ASSI {  190}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      2.400     2.400     3.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      2.771 ppm2      8.326 CV     1
 ASSI {  191}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB3 ))
      2.500     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      4.677 ppm2      2.765 CV     1
 ASSI {  192}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HB2 ))
      6.000     4.500     0.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.678 ppm2      2.809 CV     1
 ASSI {  194}
   (( segid "    " and resid 110  and name HA1 ))
   (( segid "    " and resid 110  and name HN  ))
      6.000     4.500     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.964 ppm2      8.323 CV     1
 OR {  194}
   (( segid "    " and resid 110  and name HA2 ))
   (( segid "    " and resid 110  and name HN  ))
 OR {  194}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  195}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      3.963 ppm2      8.287 CV     1
 OR {  195}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
 ASSI {  196}
   (( segid "    " and resid 87   and name HA2 ))
   (( segid "    " and resid 87   and name HN  ))
      2.700     0.900     0.900 peak   196 spectrum    1 weight  0.10000E+01 volume  0.16799E-02 ppm1      3.966 ppm2      8.266 CV     1
 OR {  196}
   (( segid "    " and resid 87   and name HA1 ))
   (( segid "    " and resid 87   and name HN  ))
 OR {  196}
   (( segid "    " and resid 86   and name HA2 ))
   (( segid "    " and resid 87   and name HN  ))
 ASSI {  197}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      3.692 ppm2      7.657 CV     1
 ASSI {  198}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      3.920 ppm2      7.655 CV     1
 ASSI {  204}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HB3 ))
      2.400     2.400     3.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      3.729 ppm2      1.935 CV     1
 ASSI {  205}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HB3 ))
      2.400     2.400     3.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      3.812 ppm2      1.935 CV     1
 ASSI {  206}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB3 ))
      2.400     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      4.467 ppm2      1.935 CV     1
 ASSI {  207}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      4.468 ppm2      2.277 CV     1
 ASSI {  208}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HG3 ))
      2.500     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      3.812 ppm2      2.025 CV     1
 OR {  208}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  209}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HG2 ))
      2.500     0.800     0.800 peak   209 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      3.733 ppm2      2.025 CV     1
 ASSI {  210}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.400     2.400     3.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      3.812 ppm2      2.273 CV     1
 ASSI {  211}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 82   and name HB2 ))
      2.100     2.100     3.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.69625E-02 ppm1      3.735 ppm2      2.273 CV     1
 ASSI {  212}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG3 ))
      6.000     4.500     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.467 ppm2      2.010 CV     1
 OR {  212}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG2 ))
 ASSI {  215}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.600     0.800     0.800 peak   215 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      4.361 ppm2      7.634 CV     1
 ASSI {  216}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      4.499 ppm2      7.648 CV     1
 ASSI {  217}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.500     0.800     0.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      3.078 ppm2      7.634 CV     1
 ASSI {  218}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
      2.500     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      3.011 ppm2      7.633 CV     1
 ASSI {  219}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      4.363 ppm2      3.079 CV     1
 ASSI {  220}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB3 ))
      2.500     0.800     0.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      4.361 ppm2      3.008 CV     1
 ASSI {  222}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.400     0.700     0.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      4.037 ppm2      7.570 CV     1
 ASSI {  223}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   223 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      4.194 ppm2      7.480 CV     1
 ASSI {  224}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     2.600     3.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.21169E-02 ppm1      1.613 ppm2      7.479 CV     1
 ASSI {  226}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   226 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      4.043 ppm2      7.822 CV     1
 ASSI {  227}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     0.700     0.700 peak   227 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      4.142 ppm2      7.881 CV     1
 ASSI {  228}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB2 ))
      2.400     0.700     0.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      4.142 ppm2      2.292 CV     1
 ASSI {  229}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG2 ))
      2.400     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      4.128 ppm2      2.097 CV     1
 OR {  229}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HG3 ))
 ASSI {  230}
   (( segid "    " and resid 114  and name HA  ))
   (( segid "    " and resid 114  and name HB3 ))
      2.300     2.300     3.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.44475E-02 ppm1      4.143 ppm2      1.920 CV     1
 ASSI {  231}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB3 ))
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.25345E-02 ppm1      2.284 ppm2      1.920 CV     1
 ASSI {  233}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     0.700     0.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      2.292 ppm2      7.881 CV     1
 ASSI {  235}
   (( segid "    " and resid 114  and name HB3 ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     0.700     0.700 peak   235 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      1.926 ppm2      7.884 CV     1
 ASSI {  236}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     2.400     3.600 peak   236 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      3.972 ppm2      8.330 CV     1
 ASSI {  237}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     2.500     3.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      3.903 ppm2      8.331 CV     1
 ASSI {  238}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.500     0.800     0.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      4.414 ppm2      3.970 CV     1
 ASSI {  239}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
      2.500     0.800     0.800 peak   239 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      4.414 ppm2      3.892 CV     1
 ASSI {  240}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HE  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      3.198 ppm2      7.124 CV     1
 OR {  240}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HE  ))
 ASSI {  244}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HE  ))
      2.500     0.800     0.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      2.942 ppm2      7.366 CV     1
 OR {  244}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HE  ))
 ASSI {  251}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.800     0.800 peak   251 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      1.394 ppm2      8.025 CV     1
 ASSI {  252}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      2.600     0.800     0.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.20392E-02 ppm1      4.195 ppm2      1.391 CV     1
 ASSI {  253}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     2.400     3.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      1.672 ppm2      8.204 CV     1
 ASSI {  254}
   (( segid "    " and resid 84   and name HB3 ))
   (( segid "    " and resid 84   and name HN  ))
      2.500     2.500     3.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      1.622 ppm2      8.203 CV     1
 ASSI {  256}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      4.379 ppm2      1.662 CV     1
 ASSI {  257}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB3 ))
      2.500     0.800     0.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      4.381 ppm2      1.612 CV     1
 ASSI {  259}
   (( segid "    " and resid 79   and name HB  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak   259 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      2.052 ppm2      8.226 CV     1
 ASSI {  260}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB  ))
      2.500     0.800     0.800 peak   260 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      4.114 ppm2      2.047 CV     1
 ASSI {  261}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HG1%)
      2.500     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      4.105 ppm2      0.924 CV     1
 OR {  261}
   (( segid "    " and resid 79   and name HA  ))
   (  segid "    " and resid 79   and name HG2%)
 ASSI {  262}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 79   and name HG1%)
      2.600     0.900     0.900 peak   262 spectrum    1 weight  0.10000E+01 volume  0.18644E-02 ppm1      2.062 ppm2      0.921 CV     1
 OR {  262}
   (( segid "    " and resid 79   and name HB  ))
   (  segid "    " and resid 79   and name HG2%)
 ASSI {  263}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.25539E-02 ppm1      2.248 ppm2      8.113 CV     1
 OR {  263}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HN  ))
 ASSI {  264}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     2.500     3.500 peak   264 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      2.105 ppm2      8.113 CV     1
 ASSI {  265}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     2.500     3.500 peak   265 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      1.943 ppm2      8.113 CV     1
 ASSI {  266}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG3 ))
      2.500     0.800     0.800 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.346 ppm2      2.238 CV     1
 OR {  266}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HG2 ))
 ASSI {  267}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB2 ))
      2.500     0.800     0.800 peak   267 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      4.346 ppm2      2.105 CV     1
 ASSI {  268}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HB3 ))
      2.500     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.346 ppm2      1.937 CV     1
 ASSI {  269}
   (( segid "    " and resid 76   and name HB  ))
   (( segid "    " and resid 76   and name HN  ))
      2.500     0.800     0.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      2.084 ppm2      8.024 CV     1
 ASSI {  270}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      0.914 ppm2      8.029 CV     1
 OR {  270}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  271}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG1%)
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.19713E-02 ppm1      2.080 ppm2      0.910 CV     1
 OR {  271}
   (( segid "    " and resid 76   and name HB  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  272}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG1%)
      2.600     0.800     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      4.120 ppm2      0.911 CV     1
 OR {  272}
   (( segid "    " and resid 76   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI {  273}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.500     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.113 ppm2      2.075 CV     1
 ASSI {  274}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   274 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      5.608 ppm2      7.873 CV     1
 ASSI {  275}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      5.350 ppm2      7.623 CV     1
 ASSI {  276}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak   276 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.297 ppm2      8.306 CV     1
 ASSI {  277}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     2.500     3.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      1.525 ppm2      8.307 CV     1
 ASSI {  278}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     2.400     3.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      1.449 ppm2      8.306 CV     1
 ASSI {  282}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD1%)
      2.400     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      1.542 ppm2      0.788 CV     1
 OR {  282}
   (( segid "    " and resid 3    and name HB2 ))
   (  segid "    " and resid 3    and name HD2%)
 ASSI {  283}
   (( segid "    " and resid 3    and name HB3 ))
   (  segid "    " and resid 3    and name HD2%)
      2.500     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      1.437 ppm2      0.787 CV     1
 ASSI {  285}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HD1%)
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.301 ppm2      0.825 CV     1
 ASSI {  287}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      2.500     0.800     0.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      4.298 ppm2      1.439 CV     1
 ASSI {  288}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.500     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      4.298 ppm2      1.530 CV     1
 ASSI {  289}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      4.639 ppm2      8.164 CV     1
 ASSI {  290}
   (( segid "    " and resid 81   and name HG3 ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     0.800     0.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      2.302 ppm2      8.156 CV     1
 OR {  290}
   (( segid "    " and resid 81   and name HG2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI {  291}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     2.500     3.500 peak   291 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      2.045 ppm2      8.156 CV     1
 ASSI {  292}
   (( segid "    " and resid 81   and name HB3 ))
   (( segid "    " and resid 81   and name HN  ))
      2.500     2.500     3.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      1.917 ppm2      8.156 CV     1
 ASSI {  294}
   (( segid "    " and resid 114  and name HB2 ))
   (( segid "    " and resid 114  and name HB3 ))
      2.500     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      2.299 ppm2      1.911 CV     1
 ASSI {  295}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG2 ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      4.638 ppm2      2.300 CV     1
 OR {  295}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HG3 ))
 ASSI {  296}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      4.643 ppm2      2.049 CV     1
 ASSI {  297}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB3 ))
      2.500     0.800     0.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      4.626 ppm2      1.911 CV     1
 ASSI {  298}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HN  ))
      2.400     0.700     0.700 peak   298 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      1.870 ppm2      7.989 CV     1
 ASSI {  299}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 111  and name HN  ))
      2.400     2.400     3.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      1.147 ppm2      7.996 CV     1
 ASSI {  301}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB  ))
      2.400     0.700     0.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      4.215 ppm2      1.859 CV     1
 ASSI {  302}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG13))
      2.400     2.400     3.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.34376E-02 ppm1      4.207 ppm2      1.145 CV     1
 ASSI {  303}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HG2%)
      2.500     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.207 ppm2      0.894 CV     1
 OR {  303}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HG13))
 ASSI {  304}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG13))
      2.400     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      1.859 ppm2      1.145 CV     1
 ASSI {  305}
   (( segid "    " and resid 111  and name HB  ))
   (  segid "    " and resid 111  and name HG2%)
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.19713E-02 ppm1      1.859 ppm2      0.894 CV     1
 OR {  305}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG12))
 OR {  305}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG13))
 ASSI {  307}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      5.799 ppm2      8.443 CV     1
 ASSI {  308}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      0.910 ppm2      8.165 CV     1
 ASSI {  309}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG1%)
      2.500     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.114 ppm2      0.885 CV     1
 OR {  309}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  310}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      4.703 ppm2      7.438 CV     1
 ASSI {  313}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   313 spectrum    1 weight  0.10000E+01 volume  0.29715E-02 ppm1      4.319 ppm2      7.291 CV     1
 ASSI {  314}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.19518E-02 ppm1      4.293 ppm2      8.346 CV     1
 ASSI {  315}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      4.779 ppm2      7.614 CV     1
 ASSI {  316}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     2.500     3.500 peak   316 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      1.218 ppm2      8.348 CV     1
 ASSI {  317}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak   317 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      1.088 ppm2      8.348 CV     1
 ASSI {  318}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     2.500     3.500 peak   318 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      0.810 ppm2      8.348 CV     1
 ASSI {  319}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD2%)
      2.600     0.800     0.800 peak   319 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      1.089 ppm2      0.095 CV     1
 OR {  319}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  321}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      1.225 ppm2      0.096 CV     1
 ASSI {  323}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 4    and name HD2%)
      2.500     0.800     0.800 peak   323 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      0.801 ppm2     -0.056 CV     1
 ASSI {  328}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     0.700     0.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      4.502 ppm2      3.929 CV     1
 ASSI {  329}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB3 ))
      2.400     0.700     0.700 peak   329 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      4.504 ppm2      3.875 CV     1
 ASSI {  330}
   (( segid "    " and resid 72   and name HB3 ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     2.400     3.600 peak   330 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      3.893 ppm2      8.364 CV     1
 ASSI {  331}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.400     2.400     3.600 peak   331 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      3.932 ppm2      8.364 CV     1
 ASSI {  332}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak   332 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      4.504 ppm2      8.370 CV     1
 ASSI {  333}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      4.717 ppm2      6.566 CV     1
 ASSI {  335}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HE  ))
      2.400     2.400     3.600 peak   335 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      1.948 ppm2      7.116 CV     1
 ASSI {  336}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HE  ))
      2.300     2.300     3.700 peak   336 spectrum    1 weight  0.10000E+01 volume  0.36221E-02 ppm1      1.723 ppm2      7.124 CV     1
 ASSI {  337}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE  ))
      2.300     0.700     0.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.40396E-02 ppm1      1.437 ppm2      7.122 CV     1
 OR {  337}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HE  ))
 ASSI {  338}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HD2 ))
      2.400     0.700     0.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      3.917 ppm2      3.202 CV     1
 ASSI {  339}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.18062E-02 ppm1      3.201 ppm2      1.965 CV     1
 OR {  339}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HB2 ))
 OR {  339}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB2 ))
 ASSI {  340}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB2 ))
      2.600     0.800     0.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      3.917 ppm2      1.964 CV     1
 ASSI {  341}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ))
      2.400     2.400     3.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      3.907 ppm2      1.431 CV     1
 ASSI {  342}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HG3 ))
      2.600     0.800     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      3.193 ppm2      1.413 CV     1
 OR {  342}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG2 ))
 OR {  342}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HG3 ))
 ASSI {  343}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 58   and name HB3 ))
      6.000     4.500     0.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.201 ppm2      1.696 CV     1
 OR {  343}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HB3 ))
 ASSI {  344}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB3 ))
      2.500     0.800     0.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      3.911 ppm2      1.696 CV     1
 ASSI {  350}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG2 ))
      2.600     0.800     0.800 peak   350 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      1.969 ppm2      1.417 CV     1
 OR {  350}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG3 ))
 ASSI {  354}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.500     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      1.799 ppm2      7.571 CV     1
 OR {  354}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
 ASSI {  355}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG2 ))
      2.500     0.800     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      4.045 ppm2      1.616 CV     1
 OR {  355}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HG3 ))
 ASSI {  356}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     0.800     0.800 peak   356 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      4.045 ppm2      1.806 CV     1
 OR {  356}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB3 ))
 OR {  356}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  365}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HE  ))
      2.400     0.700     0.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      1.601 ppm2      7.281 CV     1
 OR {  365}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HE  ))
 ASSI {  366}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HE  ))
      2.400     2.400     3.600 peak   366 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      1.497 ppm2      7.281 CV     1
 ASSI {  367}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HE  ))
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      3.218 ppm2      7.270 CV     1
 OR {  367}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE  ))
 ASSI {  374}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HE  ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      3.217 ppm2      7.351 CV     1
 ASSI {  375}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     2.400     3.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      1.945 ppm2      7.615 CV     1
 ASSI {  376}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      1.667 ppm2      7.621 CV     1
 ASSI {  378}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      4.003 ppm2      6.910 CV     1
 ASSI {  379}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   379 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      4.545 ppm2      9.455 CV     1
 ASSI {  380}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.435 ppm2      9.301 CV     1
 ASSI {  381}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      4.728 ppm2      8.645 CV     1
 ASSI {  383}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      2.917 ppm2      5.752 CV     1
 ASSI {  384}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      2.772 ppm2      5.606 CV     1
 ASSI {  385}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      2.636 ppm2      5.869 CV     1
 ASSI {  386}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   386 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      2.528 ppm2      5.786 CV     1
 ASSI {  387}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.37774E-02 ppm1      1.859 ppm2      5.665 CV     1
 ASSI {  390}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      1.772 ppm2      6.096 CV     1
 OR {  390}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  392}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HE  ))
      2.300     2.300     3.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.43601E-02 ppm1      2.050 ppm2      7.354 CV     1
 ASSI {  393}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HE  ))
      2.400     0.700     0.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      1.813 ppm2      7.356 CV     1
 OR {  393}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE  ))
 ASSI {  395}
   (  segid "    " and resid 83   and name HG2%)
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      1.209 ppm2      8.210 CV     1
 ASSI {  396}
   (( segid "    " and resid 83   and name HB  ))
   (  segid "    " and resid 83   and name HG2%)
      2.600     0.800     0.800 peak   396 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      4.220 ppm2      1.224 CV     1
 ASSI {  397}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 83   and name HG2%)
      2.500     0.800     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.25345E-02 ppm1      4.305 ppm2      1.222 CV     1
 ASSI {  398}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB  ))
      2.300     0.700     0.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.36124E-02 ppm1      4.308 ppm2      4.218 CV     1
 ASSI {  399}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     2.400     3.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      3.198 ppm2      2.052 CV     1
 ASSI {  400}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG2 ))
      2.600     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.18547E-02 ppm1      3.200 ppm2      1.808 CV     1
 OR {  400}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HG3 ))
 OR {  400}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HB3 ))
 ASSI {  404}
   (( segid "    " and resid 84   and name HG  ))
   (( segid "    " and resid 84   and name HN  ))
      2.400     0.700     0.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      1.245 ppm2      8.212 CV     1
 ASSI {  405}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB  ))
      2.500     0.800     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.395 ppm2      4.237 CV     1
 ASSI {  406}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG  ))
      2.600     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.19227E-02 ppm1      4.388 ppm2      1.244 CV     1
 ASSI {  411}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HA2 ))
      2.600     0.800     0.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1      4.232 ppm2      3.959 CV     1
 ASSI {  412}
   (( segid "    " and resid 86   and name HA2 ))
   (( segid "    " and resid 86   and name HN  ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.968 ppm2      8.468 CV     1
 ASSI {  413}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      3.625 ppm2      9.301 CV     1
 ASSI {  414}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 14   and name HA2 ))
      2.600     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.18644E-02 ppm1      4.435 ppm2      3.627 CV     1
 ASSI {  418}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      2.500     2.500     3.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1     -1.001 ppm2      6.912 CV     1
 OR {  418}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  420}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     2.400     3.600 peak   420 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      0.894 ppm2      6.921 CV     1
 ASSI {  421}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      2.500     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      3.987 ppm2      0.888 CV     1
 ASSI {  423}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 31   and name HD1%)
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      0.874 ppm2     -1.002 CV     1
 OR {  423}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  426}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      2.500     0.800     0.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      0.972 ppm2      8.838 CV     1
 ASSI {  428}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB3 ))
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      4.589 ppm2      0.324 CV     1
 ASSI {  434}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 89   and name HZ  ))
      2.300     2.300     3.700 peak   434 spectrum    1 weight  0.10000E+01 volume  0.41659E-02 ppm1      7.282 ppm2      8.513 CV     1
 ASSI {  435}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HB3 ))
      2.400     0.700     0.700 peak   435 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      4.988 ppm2      2.717 CV     1
 ASSI {  436}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      4.303 ppm2      1.720 CV     1
 OR {  436}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
 ASSI {  437}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     2.400     3.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      2.292 ppm2      7.955 CV     1
 ASSI {  438}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.400     2.400     3.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      2.153 ppm2      7.953 CV     1
 ASSI {  441}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     2.500     3.500 peak   441 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      1.716 ppm2      7.952 CV     1
 ASSI {  443}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG3 ))
      2.500     2.500     3.500 peak   443 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      4.303 ppm2      2.153 CV     1
 ASSI {  444}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.500     0.800     0.800 peak   444 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      4.310 ppm2      8.213 CV     1
 ASSI {  445}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 108  and name HN  ))
      2.600     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      1.383 ppm2      8.217 CV     1
 ASSI {  446}
   (( segid "    " and resid 108  and name HA  ))
   (  segid "    " and resid 108  and name HB% )
      2.600     0.800     0.800 peak   446 spectrum    1 weight  0.10000E+01 volume  0.20392E-02 ppm1      4.290 ppm2      1.378 CV     1
 ASSI {  447}
   (( segid "    " and resid 111  and name HG13))
   (( segid "    " and resid 111  and name HN  ))
      2.400     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      0.914 ppm2      7.987 CV     1
 OR {  447}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 111  and name HN  ))
 ASSI {  448}
   (  segid "    " and resid 111  and name HD1%)
   (( segid "    " and resid 111  and name HN  ))
      2.400     0.700     0.700 peak   448 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      0.873 ppm2      7.987 CV     1
 ASSI {  449}
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 111  and name HD1%)
      2.400     2.400     3.600 peak   449 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      4.207 ppm2      0.857 CV     1
 ASSI {  450}
   (( segid "    " and resid 111  and name HB  ))
   (  segid "    " and resid 111  and name HD1%)
      2.500     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      1.859 ppm2      0.856 CV     1
 ASSI {  452}
   (  segid "    " and resid 84   and name HD1%)
   (( segid "    " and resid 84   and name HN  ))
      2.300     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.38940E-02 ppm1      0.915 ppm2      8.200 CV     1
 ASSI {  454}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 84   and name HD2%)
      2.400     0.700     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      4.381 ppm2      0.904 CV     1
 ASSI {  456}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 84   and name HD2%)
      6.000     4.500     0.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.673 ppm2      0.901 CV     1
 ASSI {  459}
   (( segid "    " and resid 84   and name HB3 ))
   (  segid "    " and resid 84   and name HD1%)
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      1.619 ppm2      0.849 CV     1
 ASSI {  460}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak   460 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      2.413 ppm2      9.000 CV     1
 OR {  460}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI {  461}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      2.145 ppm2      8.999 CV     1
 OR {  461}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI {  464}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB3 ))
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.25345E-02 ppm1      4.263 ppm2      2.129 CV     1
 OR {  464}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
 ASSI {  465}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG2 ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      4.260 ppm2      2.415 CV     1
 OR {  465}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HG3 ))
 ASSI {  467}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak   467 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      1.643 ppm2      9.066 CV     1
 ASSI {  468}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.400     0.700     0.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      4.701 ppm2      8.388 CV     1
 ASSI {  469}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      2.500     2.500     3.500 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      3.046 ppm2      8.395 CV     1
 ASSI {  470}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.500     2.500     3.500 peak   470 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      3.245 ppm2      8.399 CV     1
 ASSI {  472}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HB3 ))
      2.700     0.900     0.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.17479E-02 ppm1      3.242 ppm2      3.037 CV     1
 ASSI {  476}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      6.000     4.500     0.000 peak   476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.705 ppm2      3.234 CV     1
 ASSI {  486}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB  ))
      2.500     0.800     0.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      3.563 ppm2      2.071 CV     1
 ASSI {  487}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   487 spectrum    1 weight  0.10000E+01 volume  0.35832E-02 ppm1      2.087 ppm2     10.053 CV     1
 ASSI {  488}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      2.500     2.500     3.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      0.495 ppm2     10.056 CV     1
 ASSI {  489}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   489 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      1.150 ppm2     10.051 CV     1
 ASSI {  493}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG13))
      2.300     2.300     3.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.43406E-02 ppm1      3.556 ppm2      1.141 CV     1
 ASSI {  494}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HG2%)
      2.600     0.900     0.900 peak   494 spectrum    1 weight  0.10000E+01 volume  0.18256E-02 ppm1      1.168 ppm2      0.485 CV     1
 ASSI {  496}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   496 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      2.077 ppm2      0.494 CV     1
 ASSI {  497}
   (( segid "    " and resid 22   and name HB  ))
   (  segid "    " and resid 22   and name HD1%)
      2.500     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      2.082 ppm2      0.600 CV     1
 ASSI {  498}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 22   and name HD1%)
      2.600     0.800     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.19713E-02 ppm1      1.729 ppm2      0.600 CV     1
 ASSI {  499}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   499 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      0.623 ppm2      0.485 CV     1
 ASSI {  500}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      3.996 ppm2      9.959 CV     1
 ASSI {  501}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   501 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      5.872 ppm2      9.162 CV     1
 ASSI {  502}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak   502 spectrum    1 weight  0.10000E+01 volume  0.36124E-02 ppm1      2.636 ppm2      9.355 CV     1
 ASSI {  503}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.46028E-02 ppm1      2.636 ppm2      9.166 CV     1
 ASSI {  504}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak   504 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      2.968 ppm2      9.668 CV     1
 ASSI {  505}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      2.612 ppm2      9.668 CV     1
 ASSI {  506}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     2.400     3.600 peak   506 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      4.595 ppm2      9.071 CV     1
 ASSI {  507}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      2.400     2.400     3.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      0.982 ppm2      9.066 CV     1
 OR {  507}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  510}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.400     2.400     3.600 peak   510 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      5.747 ppm2      6.719 CV     1
 ASSI {  512}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   512 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      5.763 ppm2      8.837 CV     1
 ASSI {  518}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      2.400     0.700     0.700 peak   518 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      2.919 ppm2      6.716 CV     1
 ASSI {  524}
   (( segid "    " and resid 101  and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   524 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      4.924 ppm2      6.695 CV     1
 ASSI {  529}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      5.624 ppm2      8.698 CV     1
 ASSI {  531}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   531 spectrum    1 weight  0.10000E+01 volume  0.32531E-02 ppm1      5.614 ppm2      6.691 CV     1
 ASSI {  533}
   (( segid "    " and resid 17   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      2.763 ppm2      6.695 CV     1
 ASSI {  534}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   534 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      2.770 ppm2      7.878 CV     1
 ASSI {  538}
   (( segid "    " and resid 103  and name HB  ))
   (  segid "    " and resid 103  and name HG2%)
      2.500     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      4.238 ppm2      1.243 CV     1
 ASSI {  539}
   (( segid "    " and resid 103  and name HA  ))
   (  segid "    " and resid 103  and name HG2%)
      6.000     4.500     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.393 ppm2      1.242 CV     1
 ASSI {  542}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      2.845 ppm2      1.158 CV     1
 OR {  542}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  544}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     2.600     3.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      4.671 ppm2     10.048 CV     1
 ASSI {  545}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     2.500     3.500 peak   545 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      3.552 ppm2      8.686 CV     1
 ASSI {  546}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      2.353 ppm2      9.049 CV     1
 ASSI {  547}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      3.654 ppm2      9.047 CV     1
 ASSI {  549}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     2.400     3.600 peak   549 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      2.356 ppm2      9.452 CV     1
 ASSI {  550}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      2.500     2.500     3.500 peak   550 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      0.884 ppm2      8.128 CV     1
 ASSI {  551}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.600     0.800     0.800 peak   551 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      4.209 ppm2      8.212 CV     1
 ASSI {  552}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     2.400     3.600 peak   552 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      4.489 ppm2      8.024 CV     1
 ASSI {  553}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     0.700     0.700 peak   553 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      2.632 ppm2      8.021 CV     1
 ASSI {  554}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     0.700     0.700 peak   554 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      2.527 ppm2      8.023 CV     1
 ASSI {  555}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.600     2.600     3.400 peak   555 spectrum    1 weight  0.10000E+01 volume  0.20101E-02 ppm1      4.362 ppm2      8.152 CV     1
 ASSI {  556}
   (( segid "    " and resid 105  and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.400     2.400     3.600 peak   556 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      3.003 ppm2      8.151 CV     1
 ASSI {  557}
   (( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.400     2.400     3.600 peak   557 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      3.077 ppm2      8.152 CV     1
 ASSI {  560}
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.300     2.300     3.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.39716E-02 ppm1      2.110 ppm2      7.638 CV     1
 ASSI {  561}
   (( segid "    " and resid 104  and name HB3 ))
   (( segid "    " and resid 105  and name HN  ))
      2.400     2.400     3.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      1.932 ppm2      7.624 CV     1
 ASSI {  563}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.500     0.800     0.800 peak   563 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      4.410 ppm2      8.416 CV     1
 ASSI {  564}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HN  ))
      2.500     2.500     3.500 peak   564 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      1.253 ppm2      8.406 CV     1
 ASSI {  565}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.245 ppm2      8.112 CV     1
 ASSI {  566}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.400     2.400     3.600 peak   566 spectrum    1 weight  0.10000E+01 volume  0.31268E-02 ppm1      4.409 ppm2      8.114 CV     1
 ASSI {  567}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      3.226 ppm2      9.332 CV     1
 ASSI {  568}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      2.500     0.800     0.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      2.807 ppm2      9.328 CV     1
 ASSI {  569}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB3 ))
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.796 ppm2      2.802 CV     1
 ASSI {  570}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      4.808 ppm2      3.231 CV     1
 ASSI {  571}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HB3 ))
      2.600     0.800     0.800 peak   571 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      3.224 ppm2      2.807 CV     1
 ASSI {  573}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 103  and name HN  ))
      2.400     2.400     3.600 peak   573 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      2.818 ppm2      8.408 CV     1
 ASSI {  577}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      5.555 ppm2      9.135 CV     1
 ASSI {  579}
   (( segid "    " and resid 26   and name HZ2 ))
   (( segid "    " and resid 26   and name HH2 ))
      6.000     4.500     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.045 ppm2      7.107 CV     1
 ASSI {  582}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   582 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      5.353 ppm2      8.604 CV     1
 ASSI {  583}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     2.400     3.600 peak   583 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      4.034 ppm2      7.481 CV     1
 ASSI {  584}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     2.500     3.500 peak   584 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      3.692 ppm2      7.932 CV     1
 ASSI {  585}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     2.400     3.600 peak   585 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      3.920 ppm2      7.933 CV     1
 ASSI {  586}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     2.400     3.600 peak   586 spectrum    1 weight  0.10000E+01 volume  0.34958E-02 ppm1      4.194 ppm2      7.653 CV     1
 ASSI {  588}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.400     0.700     0.700 peak   588 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      2.801 ppm2      5.786 CV     1
 ASSI {  590}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      2.793 ppm2      7.162 CV     1
 ASSI {  592}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak   592 spectrum    1 weight  0.10000E+01 volume  0.34376E-02 ppm1      2.532 ppm2      6.777 CV     1
 ASSI {  593}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.500     2.500     3.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      5.556 ppm2      7.162 CV     1
 ASSI {  596}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      5.787 ppm2      6.775 CV     1
 ASSI {  597}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     2.300     3.700 peak   597 spectrum    1 weight  0.10000E+01 volume  0.43406E-02 ppm1      5.558 ppm2      5.789 CV     1
 ASSI {  599}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak   599 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      3.584 ppm2      8.967 CV     1
 ASSI {  600}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     2.300     3.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.37289E-02 ppm1      3.159 ppm2      8.965 CV     1
 OR {  600}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  610}
   (( segid "    " and resid 12   and name HD22))
   (( segid "    " and resid 12   and name HD21))
      2.600     0.900     0.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.18450E-02 ppm1      6.854 ppm2      7.464 CV     1
 ASSI {  612}
   (( segid "    " and resid 10   and name HE22))
   (( segid "    " and resid 10   and name HE21))
      2.700     0.900     0.900 peak   612 spectrum    1 weight  0.10000E+01 volume  0.17285E-02 ppm1      6.798 ppm2      7.459 CV     1
 ASSI {  613}
   (( segid "    " and resid 104  and name HE22))
   (( segid "    " and resid 104  and name HE21))
      2.700     0.900     0.900 peak   613 spectrum    1 weight  0.10000E+01 volume  0.16508E-02 ppm1      6.567 ppm2      7.228 CV     1
 ASSI {  614}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HZ  ))
      2.600     2.600     3.400 peak   614 spectrum    1 weight  0.10000E+01 volume  0.18159E-02 ppm1      6.932 ppm2      7.437 CV     1
 ASSI {  615}
   (( segid "    " and resid 24   and name HE22))
   (( segid "    " and resid 24   and name HE21))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.16605E-02 ppm1      6.953 ppm2      7.311 CV     1
 ASSI {  618}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     2.400     3.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      3.639 ppm2      8.128 CV     1
 ASSI {  620}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   620 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      3.419 ppm2      8.131 CV     1
 ASSI {  621}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      2.279 ppm2      8.131 CV     1
 ASSI {  624}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 7    and name HN  ))
      2.300     2.300     3.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.45446E-02 ppm1      2.285 ppm2      9.047 CV     1
 ASSI {  625}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.500     2.500     3.500 peak   625 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      3.108 ppm2      8.865 CV     1
 ASSI {  628}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     2.300     3.700 peak   628 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      3.004 ppm2      8.734 CV     1
 ASSI {  629}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.400     0.700     0.700 peak   629 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      1.568 ppm2      8.735 CV     1
 ASSI {  630}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.300     2.300     3.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.40008E-02 ppm1      1.985 ppm2      8.734 CV     1
 ASSI {  636}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     2.400     3.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      1.173 ppm2      7.874 CV     1
 ASSI {  637}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     2.500     3.500 peak   637 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      1.369 ppm2      7.874 CV     1
 ASSI {  641}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     2.500     3.500 peak   641 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      3.418 ppm2      6.557 CV     1
 ASSI {  642}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     2.500     3.500 peak   642 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      2.587 ppm2      6.564 CV     1
 ASSI {  643}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   643 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      3.401 ppm2      8.537 CV     1
 ASSI {  644}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     0.700     0.700 peak   644 spectrum    1 weight  0.10000E+01 volume  0.36124E-02 ppm1      2.599 ppm2      8.535 CV     1
 ASSI {  646}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      4.442 ppm2      6.557 CV     1
 ASSI {  647}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     2.400     3.600 peak   647 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      3.637 ppm2      6.557 CV     1
 ASSI {  648}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.35832E-02 ppm1      2.799 ppm2      8.438 CV     1
 ASSI {  649}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      2.538 ppm2      8.438 CV     1
 ASSI {  650}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.500     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      4.296 ppm2      8.437 CV     1
 ASSI {  651}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.35735E-02 ppm1      2.289 ppm2      8.440 CV     1
 ASSI {  652}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak   652 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      1.716 ppm2      8.438 CV     1
 ASSI {  653}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     2.400     3.600 peak   653 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      2.799 ppm2      9.355 CV     1
 ASSI {  654}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak   654 spectrum    1 weight  0.10000E+01 volume  0.37871E-02 ppm1      2.538 ppm2      9.352 CV     1
 ASSI {  655}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.22723E-02 ppm1      5.784 ppm2      9.357 CV     1
 ASSI {  656}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak   656 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      3.732 ppm2      9.169 CV     1
 ASSI {  657}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      3.931 ppm2      9.165 CV     1
 ASSI {  658}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak   658 spectrum    1 weight  0.10000E+01 volume  0.32628E-02 ppm1      3.741 ppm2      9.958 CV     1
 ASSI {  659}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.100     2.100     3.900 peak   659 spectrum    1 weight  0.10000E+01 volume  0.77588E-02 ppm1      3.931 ppm2      9.958 CV     1
 ASSI {  661}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     2.500     3.500 peak   661 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      2.568 ppm2      9.955 CV     1
 OR {  661}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 28   and name HN  ))
 ASSI {  662}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   662 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      2.209 ppm2      9.955 CV     1
 ASSI {  663}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak   663 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      2.139 ppm2      9.955 CV     1
 ASSI {  664}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     2.400     3.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      3.991 ppm2      8.641 CV     1
 ASSI {  665}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     2.400     3.600 peak   665 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      2.150 ppm2      8.638 CV     1
 ASSI {  667}
   (( segid "    " and resid 28   and name HG2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     2.300     3.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      2.556 ppm2      8.638 CV     1
 OR {  667}
   (( segid "    " and resid 28   and name HG3 ))
   (( segid "    " and resid 29   and name HN  ))
 ASSI {  668}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     2.500     3.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      4.675 ppm2      8.995 CV     1
 ASSI {  669}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.400     2.400     3.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      2.771 ppm2      8.991 CV     1
 ASSI {  670}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.33793E-02 ppm1      2.819 ppm2      8.992 CV     1
 ASSI {  671}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     0.700     0.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      2.138 ppm2      8.486 CV     1
 OR {  671}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  672}
   (( segid "    " and resid 92   and name HG3 ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     2.400     3.600 peak   672 spectrum    1 weight  0.10000E+01 volume  0.32628E-02 ppm1      2.413 ppm2      8.492 CV     1
 OR {  672}
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI {  673}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.500     2.500     3.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      4.253 ppm2      8.486 CV     1
 ASSI {  675}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 26   and name HH2 ))
      2.600     0.800     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.20878E-02 ppm1      6.926 ppm2      7.107 CV     1
 ASSI {  676}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.500     0.800     0.800 peak   676 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      6.919 ppm2      7.203 CV     1
 ASSI {  677}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 26   and name HZ2 ))
      2.500     2.500     3.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.27093E-02 ppm1      6.926 ppm2      7.049 CV     1
 ASSI {  678}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     0.800     0.800 peak   678 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      6.919 ppm2      9.896 CV     1
 ASSI {  679}
   (( segid "    " and resid 26   and name HZ2 ))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     0.800     0.800 peak   679 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      7.062 ppm2      9.894 CV     1
 ASSI {  680}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      6.928 ppm2      9.353 CV     1
 ASSI {  687}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      2.600     0.800     0.800 peak   687 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      2.919 ppm2      2.338 CV     1
 ASSI {  688}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     0.700     0.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.29715E-02 ppm1      2.352 ppm2      5.752 CV     1
 ASSI {  689}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     2.500     3.500 peak   689 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      2.358 ppm2      8.837 CV     1
 ASSI {  690}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   690 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      2.925 ppm2      8.837 CV     1
 ASSI {  692}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
      2.300     0.700     0.700 peak   692 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      2.336 ppm2      6.719 CV     1
 ASSI {  694}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak   694 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      2.881 ppm2      6.695 CV     1
 ASSI {  697}
   (( segid "    " and resid 105  and name HB3 ))
   (  segid "    " and resid 105  and name HD% )
      2.300     0.700     0.700 peak   697 spectrum    1 weight  0.10000E+01 volume  0.41853E-02 ppm1      3.013 ppm2      7.341 CV     1
 ASSI {  698}
   (( segid "    " and resid 105  and name HB2 ))
   (  segid "    " and resid 105  and name HD% )
      2.300     0.600     0.600 peak   698 spectrum    1 weight  0.10000E+01 volume  0.44475E-02 ppm1      3.070 ppm2      7.340 CV     1
 ASSI {  699}
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      2.400     0.700     0.700 peak   699 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      4.359 ppm2      7.343 CV     1
 ASSI {  702}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 105  and name HN  ))
      2.500     2.500     3.500 peak   702 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      7.203 ppm2      7.633 CV     1
 ASSI {  711}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HE3 ))
      2.400     0.700     0.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      5.864 ppm2      7.206 CV     1
 ASSI {  713}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   713 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      3.496 ppm2      5.869 CV     1
 ASSI {  714}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   714 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      3.501 ppm2      2.640 CV     1
 ASSI {  720}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   720 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      2.884 ppm2      5.611 CV     1
 ASSI {  721}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HE  ))
      2.500     0.800     0.800 peak   721 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      2.841 ppm2      7.111 CV     1
 OR {  721}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE  ))
 ASSI {  722}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      6.094 ppm2      8.731 CV     1
 ASSI {  723}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.800     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      5.056 ppm2      9.352 CV     1
 ASSI {  724}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     0.800     0.800 peak   724 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      5.667 ppm2      9.303 CV     1
 ASSI {  725}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      0.102 ppm2      8.348 CV     1
 OR {  725}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI {  727}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     2.500     3.500 peak   727 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      1.586 ppm2      6.095 CV     1
 ASSI {  728}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      0.986 ppm2      6.095 CV     1
 OR {  728}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI {  729}
   (( segid "    " and resid 55   and name HG  ))
   (  segid "    " and resid 55   and name HD2%)
      2.600     0.800     0.800 peak   729 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      1.583 ppm2      0.973 CV     1
 OR {  729}
   (( segid "    " and resid 55   and name HG  ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI {  730}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 55   and name HD2%)
      2.500     0.800     0.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      1.779 ppm2      0.973 CV     1
 OR {  730}
   (( segid "    " and resid 55   and name HB3 ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI {  733}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      6.103 ppm2      1.763 CV     1
 OR {  733}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB3 ))
 ASSI {  734}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
      2.300     0.700     0.700 peak   734 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      0.977 ppm2      9.350 CV     1
 ASSI {  735}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     2.500     3.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      1.590 ppm2      9.347 CV     1
 ASSI {  736}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   736 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      1.772 ppm2      9.349 CV     1
 ASSI {  737}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      0.988 ppm2      8.736 CV     1
 OR {  737}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  738}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     0.700     0.700 peak   738 spectrum    1 weight  0.10000E+01 volume  0.39425E-02 ppm1      1.590 ppm2      8.735 CV     1
 ASSI {  739}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      1.758 ppm2      8.735 CV     1
 ASSI {  740}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak   740 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      3.427 ppm2      8.730 CV     1
 ASSI {  741}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak   741 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      2.805 ppm2      8.731 CV     1
 ASSI {  742}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.782 ppm2      8.818 CV     1
 ASSI {  743}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak   743 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      4.477 ppm2      8.211 CV     1
 ASSI {  744}
   (( segid "    " and resid 82   and name HB3 ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   744 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      1.936 ppm2      8.203 CV     1
 ASSI {  745}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   745 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      2.288 ppm2      8.203 CV     1
 ASSI {  748}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   748 spectrum    1 weight  0.10000E+01 volume  0.25539E-02 ppm1      4.932 ppm2      9.139 CV     1
 ASSI {  749}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      4.915 ppm2      9.336 CV     1
 ASSI {  754}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      2.400     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.35929E-02 ppm1      1.137 ppm2     10.050 CV     1
 ASSI {  757}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   757 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      4.517 ppm2      7.649 CV     1
 ASSI {  758}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     2.400     3.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      4.499 ppm2      6.904 CV     1
 ASSI {  761}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      4.011 ppm2      7.628 CV     1
 ASSI {  762}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      2.500     2.500     3.500 peak   762 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1     -0.977 ppm2      7.628 CV     1
 ASSI {  763}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     2.300     3.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.40202E-02 ppm1      2.968 ppm2      9.073 CV     1
 ASSI {  764}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     0.600     0.600 peak   764 spectrum    1 weight  0.10000E+01 volume  0.45349E-02 ppm1      2.612 ppm2      9.068 CV     1
 ASSI {  765}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     2.400     3.600 peak   765 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      4.673 ppm2      8.241 CV     1
 ASSI {  766}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     2.500     3.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      1.643 ppm2      8.235 CV     1
 ASSI {  768}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      2.400     2.400     3.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      0.982 ppm2      8.238 CV     1
 OR {  768}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  770}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   770 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      1.405 ppm2      8.242 CV     1
 ASSI {  775}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   775 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      4.451 ppm2      9.466 CV     1
 ASSI {  776}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      5.763 ppm2      8.422 CV     1
 ASSI {  777}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.300     2.300     3.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.39814E-02 ppm1      2.925 ppm2      8.422 CV     1
 ASSI {  778}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.38066E-02 ppm1      2.358 ppm2      8.426 CV     1
 ASSI {  779}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HE22))
      2.300     2.300     3.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      2.248 ppm2      6.572 CV     1
 OR {  779}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HE22))
 ASSI {  780}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HE21))
      2.500     0.800     0.800 peak   780 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      2.250 ppm2      7.227 CV     1
 OR {  780}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HE21))
 ASSI {  781}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD21))
      2.400     2.400     3.600 peak   781 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      3.222 ppm2      7.632 CV     1
 ASSI {  782}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HD21))
      2.400     2.400     3.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      2.815 ppm2      7.630 CV     1
 ASSI {  783}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HD21))
      2.500     2.500     3.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      4.802 ppm2      7.630 CV     1
 ASSI {  784}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD22))
      2.400     2.400     3.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.29715E-02 ppm1      3.238 ppm2      6.611 CV     1
 ASSI {  785}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HD22))
      2.400     2.400     3.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      2.838 ppm2      6.611 CV     1
 ASSI {  787}
   (( segid "    " and resid 102  and name HD22))
   (( segid "    " and resid 102  and name HD21))
      2.600     0.900     0.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.17965E-02 ppm1      6.604 ppm2      7.629 CV     1
 ASSI {  788}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     2.500     3.500 peak   788 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      3.178 ppm2      8.329 CV     1
 ASSI {  789}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     2.500     3.500 peak   789 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      3.454 ppm2      8.330 CV     1
 ASSI {  790}
   (( segid "    " and resid 52   and name HA2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     0.800     0.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      3.424 ppm2      7.837 CV     1
 ASSI {  792}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      4.054 ppm2      7.837 CV     1
 ASSI {  793}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     2.500     3.500 peak   793 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      3.888 ppm2      7.843 CV     1
 ASSI {  796}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     2.400     3.600 peak   796 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      4.054 ppm2      7.624 CV     1
 ASSI {  797}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   797 spectrum    1 weight  0.10000E+01 volume  0.35250E-02 ppm1      3.428 ppm2      8.241 CV     1
 ASSI {  798}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     2.500     3.500 peak   798 spectrum    1 weight  0.10000E+01 volume  0.24665E-02 ppm1      3.212 ppm2      8.241 CV     1
 ASSI {  799}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   799 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      3.428 ppm2      8.031 CV     1
 ASSI {  800}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     0.800     0.800 peak   800 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      3.973 ppm2      8.031 CV     1
 ASSI {  801}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     2.400     3.600 peak   801 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      5.017 ppm2      8.030 CV     1
 ASSI {  803}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.21169E-02 ppm1      1.982 ppm2      7.822 CV     1
 ASSI {  804}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      1.816 ppm2      7.822 CV     1
 ASSI {  805}
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     2.400     3.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      1.632 ppm2      7.827 CV     1
 OR {  805}
   (( segid "    " and resid 62   and name HG3 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  806}
   (( segid "    " and resid 84   and name HB3 ))
   (  segid "    " and resid 89   and name HE% )
      2.400     2.400     3.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      1.616 ppm2      7.237 CV     1
 OR {  806}
   (( segid "    " and resid 57   and name HG2 ))
   (  segid "    " and resid 89   and name HE% )
 ASSI {  807}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HE  ))
      2.300     2.300     3.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.36415E-02 ppm1      1.803 ppm2      7.238 CV     1
 ASSI {  808}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HE  ))
      2.300     2.300     3.700 peak   808 spectrum    1 weight  0.10000E+01 volume  0.36318E-02 ppm1      1.960 ppm2      7.239 CV     1
 ASSI {  809}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   809 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      1.972 ppm2      7.480 CV     1
 ASSI {  812}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 62   and name HE  ))
      2.500     0.800     0.800 peak   812 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      3.193 ppm2      7.235 CV     1
 OR {  812}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 62   and name HE  ))
 ASSI {  813}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      3.430 ppm2      8.865 CV     1
 ASSI {  814}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     2.400     3.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      3.974 ppm2      8.865 CV     1
 ASSI {  817}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   817 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      3.265 ppm2      8.782 CV     1
 ASSI {  818}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      3.105 ppm2      8.781 CV     1
 ASSI {  819}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.400     2.400     3.600 peak   819 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      2.070 ppm2      8.783 CV     1
 ASSI {  820}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   820 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      1.827 ppm2      8.783 CV     1
 OR {  820}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  827}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak   827 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.032 ppm2      8.736 CV     1
 ASSI {  829}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HE  ))
      2.500     0.800     0.800 peak   829 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      1.441 ppm2      7.368 CV     1
 OR {  829}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HE  ))
 ASSI {  830}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HE  ))
      2.400     0.700     0.700 peak   830 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      1.827 ppm2      7.366 CV     1
 OR {  830}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE  ))
 OR {  830}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE  ))
 ASSI {  831}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      1.440 ppm2      8.844 CV     1
 ASSI {  832}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak   832 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      2.153 ppm2      8.440 CV     1
 ASSI {  833}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE21))
      2.500     2.500     3.500 peak   833 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      2.292 ppm2      7.313 CV     1
 ASSI {  834}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HE21))
      2.400     2.400     3.600 peak   834 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      2.153 ppm2      7.317 CV     1
 ASSI {  835}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HE21))
      2.400     2.400     3.600 peak   835 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      1.718 ppm2      7.313 CV     1
 OR {  835}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HE21))
 ASSI {  836}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HE22))
      2.400     2.400     3.600 peak   836 spectrum    1 weight  0.10000E+01 volume  0.32336E-02 ppm1      2.290 ppm2      6.956 CV     1
 ASSI {  837}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HE22))
      2.300     2.300     3.700 peak   837 spectrum    1 weight  0.10000E+01 volume  0.45446E-02 ppm1      2.153 ppm2      6.963 CV     1
 ASSI {  838}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HE22))
      2.300     2.300     3.700 peak   838 spectrum    1 weight  0.10000E+01 volume  0.37386E-02 ppm1      1.718 ppm2      6.958 CV     1
 OR {  838}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HE22))
 ASSI {  841}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.500     2.500     3.500 peak   841 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      4.546 ppm2      8.779 CV     1
 ASSI {  843}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD21))
      2.400     2.400     3.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      2.663 ppm2      7.466 CV     1
 ASSI {  844}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HE21))
      2.400     2.400     3.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      2.262 ppm2      7.458 CV     1
 ASSI {  845}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD21))
      2.400     2.400     3.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      2.535 ppm2      7.464 CV     1
 ASSI {  846}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HD22))
      2.300     2.300     3.700 peak   846 spectrum    1 weight  0.10000E+01 volume  0.39814E-02 ppm1      2.653 ppm2      6.847 CV     1
 ASSI {  847}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HD22))
      2.300     2.300     3.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.45834E-02 ppm1      2.512 ppm2      6.848 CV     1
 ASSI {  849}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      4.714 ppm2      8.289 CV     1
 ASSI {  851}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak   851 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      2.514 ppm2      8.286 CV     1
 ASSI {  852}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak   852 spectrum    1 weight  0.10000E+01 volume  0.35832E-02 ppm1      2.440 ppm2      8.286 CV     1
 ASSI {  853}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   853 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      2.305 ppm2      8.286 CV     1
 ASSI {  854}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     2.400     3.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      2.305 ppm2      8.649 CV     1
 ASSI {  855}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     2.500     3.500 peak   855 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      2.440 ppm2      8.644 CV     1
 ASSI {  856}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     2.500     3.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      2.514 ppm2      8.647 CV     1
 ASSI {  862}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB3 ))
      2.500     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      3.416 ppm2      2.274 CV     1
 ASSI {  863}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     0.700     0.700 peak   863 spectrum    1 weight  0.10000E+01 volume  0.32336E-02 ppm1      3.046 ppm2      8.513 CV     1
 ASSI {  864}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     0.700     0.700 peak   864 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      3.243 ppm2      8.510 CV     1
 ASSI {  865}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.500     2.500     3.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.701 ppm2      8.513 CV     1
 ASSI {  866}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HG  ))
      2.400     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      1.316 ppm2      0.880 CV     1
 ASSI {  867}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 19   and name HD2%)
      2.400     0.700     0.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      1.316 ppm2      0.999 CV     1
 ASSI {  874}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      2.400     0.700     0.700 peak   874 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      5.690 ppm2      0.880 CV     1
 ASSI {  876}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HA  ))
      2.200     0.600     0.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.52243E-02 ppm1      1.666 ppm2      5.665 CV     1
 ASSI {  877}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      1.297 ppm2      5.665 CV     1
 ASSI {  880}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     2.300     3.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.37871E-02 ppm1      0.878 ppm2      9.148 CV     1
 ASSI {  881}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      2.400     2.400     3.600 peak   881 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      1.002 ppm2      9.143 CV     1
 OR {  881}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  882}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.300     2.300     3.700 peak   882 spectrum    1 weight  0.10000E+01 volume  0.40105E-02 ppm1      1.318 ppm2      9.143 CV     1
 ASSI {  884}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     2.400     3.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      1.858 ppm2      9.137 CV     1
 ASSI {  887}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.700     0.700 peak   887 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      1.667 ppm2      9.311 CV     1
 ASSI {  888}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak   888 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      1.297 ppm2      9.306 CV     1
 ASSI {  890}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak   890 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      0.878 ppm2      9.311 CV     1
 ASSI {  891}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak   891 spectrum    1 weight  0.10000E+01 volume  0.32531E-02 ppm1      1.859 ppm2      9.303 CV     1
 ASSI {  892}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.700     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.37386E-02 ppm1      1.670 ppm2      9.303 CV     1
 ASSI {  893}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak   893 spectrum    1 weight  0.10000E+01 volume  0.44183E-02 ppm1      1.242 ppm2      9.303 CV     1
 ASSI {  896}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak   896 spectrum    1 weight  0.10000E+01 volume  0.40688E-02 ppm1      0.898 ppm2      9.303 CV     1
 ASSI {  897}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak   897 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      1.149 ppm2      9.132 CV     1
 ASSI {  898}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak   898 spectrum    1 weight  0.10000E+01 volume  0.32336E-02 ppm1      1.242 ppm2      9.134 CV     1
 ASSI {  899}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak   899 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      1.013 ppm2      9.136 CV     1
 ASSI {  900}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     2.300     3.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      0.898 ppm2      9.134 CV     1
 ASSI {  906}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     2.300     3.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      1.013 ppm2      5.564 CV     1
 ASSI {  907}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.200     2.200     3.800 peak   907 spectrum    1 weight  0.10000E+01 volume  0.59623E-02 ppm1      1.149 ppm2      5.559 CV     1
 ASSI {  908}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.300     2.300     3.700 peak   908 spectrum    1 weight  0.10000E+01 volume  0.37871E-02 ppm1      1.242 ppm2      5.559 CV     1
 ASSI {  909}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   909 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      1.670 ppm2      5.559 CV     1
 ASSI {  911}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.400     2.400     3.600 peak   911 spectrum    1 weight  0.10000E+01 volume  0.32531E-02 ppm1      1.672 ppm2      6.909 CV     1
 ASSI {  912}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      2.300     2.300     3.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      1.220 ppm2      6.917 CV     1
 OR {  912}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 20   and name HZ% )
 OR {  912}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 20   and name HZ% )
 ASSI {  914}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      2.400     2.400     3.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      0.990 ppm2      6.913 CV     1
 ASSI {  915}
   (  segid "    " and resid 100  and name HD2%)
   (  segid "    " and resid 20   and name HZ% )
      2.400     0.700     0.700 peak   915 spectrum    1 weight  0.10000E+01 volume  0.32725E-02 ppm1      0.885 ppm2      6.931 CV     1
 ASSI {  917}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.500     0.000 peak   917 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.889 ppm2      8.183 CV     1
 ASSI {  918}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   918 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      1.156 ppm2      8.184 CV     1
 ASSI {  919}
   (( segid "    " and resid 13   and name HG12))
   (( segid "    " and resid 13   and name HN  ))
      2.400     2.400     3.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      1.104 ppm2      8.182 CV     1
 ASSI {  920}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.300     2.300     3.700 peak   920 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1      0.484 ppm2      8.190 CV     1
 ASSI {  921}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      0.180 ppm2      8.187 CV     1
 ASSI {  922}
   (( segid "    " and resid 13   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      2.300     2.300     3.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1     -0.576 ppm2      8.179 CV     1
 ASSI {  923}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HG13))
      2.500     0.800     0.800 peak   923 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      0.181 ppm2     -0.582 CV     1
 ASSI {  924}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HG13))
      2.400     0.700     0.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.31268E-02 ppm1      0.490 ppm2     -0.582 CV     1
 ASSI {  925}
   (( segid "    " and resid 13   and name HG12))
   (( segid "    " and resid 13   and name HG13))
      2.500     0.800     0.800 peak   925 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      1.083 ppm2     -0.582 CV     1
 ASSI {  926}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HG13))
      2.400     0.700     0.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      1.162 ppm2     -0.582 CV     1
 ASSI {  927}
   (( segid "    " and resid 13   and name HG12))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak   927 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      1.083 ppm2      0.178 CV     1
 ASSI {  928}
   (( segid "    " and resid 13   and name HB  ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak   928 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      1.162 ppm2      0.183 CV     1
 ASSI {  929}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 13   and name HD1%)
      2.600     0.800     0.800 peak   929 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      0.490 ppm2      0.180 CV     1
 ASSI {  930}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG13))
      2.400     0.700     0.700 peak   930 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      3.872 ppm2     -0.582 CV     1
 ASSI {  931}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.300     2.300     3.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.36318E-02 ppm1      3.862 ppm2      0.183 CV     1
 ASSI {  932}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.500     0.800     0.800 peak   932 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      3.862 ppm2      0.482 CV     1
 ASSI {  933}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HG12))
      2.300     0.700     0.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.39134E-02 ppm1      3.879 ppm2      1.080 CV     1
 ASSI {  934}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB  ))
      2.200     2.200     3.800 peak   934 spectrum    1 weight  0.10000E+01 volume  0.48456E-02 ppm1      3.879 ppm2      1.158 CV     1
 ASSI {  936}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   936 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      0.487 ppm2      9.302 CV     1
 ASSI {  938}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   938 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      3.858 ppm2      9.301 CV     1
 ASSI {  939}
   (( segid "    " and resid 69   and name HB3 ))
   (( segid "    " and resid 70   and name HN  ))
      2.300     0.700     0.700 peak   939 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      3.163 ppm2      8.541 CV     1
 ASSI {  940}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.400     0.700     0.700 peak   940 spectrum    1 weight  0.10000E+01 volume  0.34958E-02 ppm1      3.270 ppm2      8.541 CV     1
 ASSI {  941}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      2.500     2.500     3.500 peak   941 spectrum    1 weight  0.10000E+01 volume  0.22917E-02 ppm1      4.720 ppm2      8.543 CV     1
 ASSI {  942}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   942 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.024 ppm2      9.455 CV     1
 ASSI {  945}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak   945 spectrum    1 weight  0.10000E+01 volume  0.25539E-02 ppm1      4.925 ppm2      8.965 CV     1
 ASSI {  946}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     2.400     3.600 peak   946 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      3.427 ppm2      8.963 CV     1
 ASSI {  947}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     2.400     3.600 peak   947 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      2.805 ppm2      8.964 CV     1
 ASSI {  948}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak   948 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      1.943 ppm2      8.965 CV     1
 ASSI {  949}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     2.300     3.700 peak   949 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1      1.623 ppm2      8.968 CV     1
 ASSI {  950}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.300     2.300     3.700 peak   950 spectrum    1 weight  0.10000E+01 volume  0.41950E-02 ppm1      1.410 ppm2      8.968 CV     1
 ASSI {  951}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     2.400     3.600 peak   951 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      3.697 ppm2      7.822 CV     1
 ASSI {  952}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak   952 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      3.697 ppm2      8.225 CV     1
 ASSI {  953}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
      2.300     2.300     3.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.43892E-02 ppm1      0.827 ppm2      7.822 CV     1
 OR {  953}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI {  954}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 62   and name HN  ))
      2.300     2.300     3.700 peak   954 spectrum    1 weight  0.10000E+01 volume  0.41270E-02 ppm1      0.724 ppm2      7.822 CV     1
 ASSI {  958}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 95   and name HE  ))
      2.500     0.800     0.800 peak   958 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      3.025 ppm2      7.430 CV     1
 ASSI {  961}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HE  ))
      2.400     2.400     3.600 peak   961 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.573 ppm2      7.430 CV     1
 ASSI {  962}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak   962 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      3.366 ppm2      7.990 CV     1
 ASSI {  963}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak   963 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      3.109 ppm2      7.990 CV     1
 ASSI {  966}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak   966 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      0.787 ppm2      7.479 CV     1
 ASSI {  967}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   967 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      1.762 ppm2      7.479 CV     1
 ASSI {  968}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
      2.300     2.300     3.700 peak   968 spectrum    1 weight  0.10000E+01 volume  0.43892E-02 ppm1      0.787 ppm2      7.659 CV     1
 OR {  968}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI {  970}
   (( segid "    " and resid 63   and name HB3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     2.400     3.600 peak   970 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      1.605 ppm2      7.655 CV     1
 ASSI {  971}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     2.300     3.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.38066E-02 ppm1      1.760 ppm2      7.657 CV     1
 ASSI {  972}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      2.717 ppm2      8.825 CV     1
 ASSI {  974}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      2.500     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      4.018 ppm2      6.424 CV     1
 ASSI {  975}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   975 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      2.717 ppm2      8.228 CV     1
 OR {  975}
   (( segid "    " and resid 60   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI {  976}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HE% )
      2.500     2.500     3.500 peak   976 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      2.719 ppm2      6.573 CV     1
 OR {  976}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 60   and name HE% )
 ASSI {  977}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      2.600     0.800     0.800 peak   977 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      2.705 ppm2      6.423 CV     1
 OR {  977}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI {  978}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak   978 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      4.525 ppm2      8.891 CV     1
 ASSI {  979}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak   979 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      4.520 ppm2      8.253 CV     1
 ASSI {  982}
   (  segid "    " and resid 97   and name HD1%)
   (( segid "    " and resid 97   and name HN  ))
      2.300     2.300     3.700 peak   982 spectrum    1 weight  0.10000E+01 volume  0.36124E-02 ppm1      0.449 ppm2      8.261 CV     1
 ASSI {  985}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 97   and name HN  ))
      2.400     2.400     3.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      0.701 ppm2      8.262 CV     1
 ASSI {  986}
   (( segid "    " and resid 97   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     2.300     3.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      1.489 ppm2      8.894 CV     1
 ASSI {  989}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      0.708 ppm2      8.894 CV     1
 ASSI {  990}
   (  segid "    " and resid 97   and name HD1%)
   (( segid "    " and resid 98   and name HN  ))
      2.400     2.400     3.600 peak   990 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      0.450 ppm2      8.894 CV     1
 ASSI {  992}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak   992 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      1.608 ppm2      7.689 CV     1
 OR {  992}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  993}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      1.497 ppm2      7.689 CV     1
 ASSI {  994}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   994 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      4.477 ppm2      7.688 CV     1
 ASSI {  996}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.600     2.600     3.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.19421E-02 ppm1      1.576 ppm2      8.350 CV     1
 ASSI {  997}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      1.449 ppm2      8.346 CV     1
 ASSI {  998}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     0.600     0.600 peak   998 spectrum    1 weight  0.10000E+01 volume  0.45252E-02 ppm1      1.319 ppm2      8.353 CV     1
 ASSI { 1001}
   (( segid "    " and resid 96   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     2.400     3.600 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      1.584 ppm2      8.259 CV     1
 ASSI { 1002}
   (( segid "    " and resid 96   and name HB3 ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     2.400     3.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      1.448 ppm2      8.259 CV     1
 ASSI { 1003}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 97   and name HN  ))
      2.300     2.300     3.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.41561E-02 ppm1      1.331 ppm2      8.234 CV     1
 ASSI { 1004}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     2.300     3.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.36997E-02 ppm1      1.996 ppm2      8.344 CV     1
 ASSI { 1005}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
      2.300     2.300     3.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      1.323 ppm2      8.737 CV     1
 ASSI { 1012}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     2.500     3.500 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      1.961 ppm2      8.179 CV     1
 ASSI { 1013}
   (( segid "    " and resid 58   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     2.300     3.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.40396E-02 ppm1      1.723 ppm2      8.177 CV     1
 ASSI { 1014}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.35735E-02 ppm1      1.433 ppm2      8.179 CV     1
 ASSI { 1015}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.400     2.400     3.600 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      3.198 ppm2      8.177 CV     1
 ASSI { 1016}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.500     0.000 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.917 ppm2      8.177 CV     1
 ASSI { 1017}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      4.113 ppm2      7.853 CV     1
 ASSI { 1018}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      2.380 ppm2      7.853 CV     1
 ASSI { 1019}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     2.400     3.600 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      2.294 ppm2      7.853 CV     1
 ASSI { 1026}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      2.600     0.800     0.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      4.676 ppm2      1.143 CV     1
 ASSI { 1027}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 111  and name HN  ))
      2.400     2.400     3.600 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      1.427 ppm2      7.997 CV     1
 ASSI { 1028}
   (( segid "    " and resid 111  and name HB  ))
   (( segid "    " and resid 111  and name HG12))
      2.600     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.17770E-02 ppm1      1.825 ppm2      1.433 CV     1
 ASSI { 1029}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 111  and name HG13))
      2.600     0.800     0.800 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.19421E-02 ppm1      1.424 ppm2      1.145 CV     1
 ASSI { 1031}
   (( segid "    " and resid 111  and name HG12))
   (  segid "    " and resid 111  and name HD1%)
      6.000     4.500     0.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.424 ppm2      0.862 CV     1
 ASSI { 1032}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 63   and name HD2%)
      2.600     0.800     0.800 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      1.759 ppm2      0.786 CV     1
 OR { 1032}
   (( segid "    " and resid 63   and name HG  ))
   (  segid "    " and resid 63   and name HD1%)
 ASSI { 1035}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      2.500     0.800     0.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      4.198 ppm2      0.813 CV     1
 OR { 1035}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 1036}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB3 ))
      2.600     0.800     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1      4.198 ppm2      1.621 CV     1
 ASSI { 1037}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.500     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.198 ppm2      1.755 CV     1
 ASSI { 1038}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.32336E-02 ppm1      2.272 ppm2      7.294 CV     1
 OR { 1038}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1039}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.300     2.300     3.700 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      1.005 ppm2      7.286 CV     1
 OR { 1039}
   (( segid "    " and resid 42   and name HB3 ))
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 1040}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.700     0.900     0.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.17188E-02 ppm1      2.260 ppm2      0.993 CV     1
 OR { 1040}
   (( segid "    " and resid 42   and name HG2 ))
   (( segid "    " and resid 42   and name HB3 ))
 OR { 1040}
   (( segid "    " and resid 42   and name HG3 ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI { 1041}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB3 ))
      2.400     0.700     0.700 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      4.320 ppm2      1.009 CV     1
 OR { 1041}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
 ASSI { 1042}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG2 ))
      2.500     0.800     0.800 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      4.326 ppm2      2.279 CV     1
 OR { 1042}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HG3 ))
 ASSI { 1044}
   (( segid "    " and resid 51   and name HG  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     2.500     3.500 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      1.517 ppm2      9.465 CV     1
 ASSI { 1045}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      0.900 ppm2      9.461 CV     1
 ASSI { 1049}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.400     2.400     3.600 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      1.880 ppm2      8.422 CV     1
 ASSI { 1053}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     2.500     3.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      2.933 ppm2      1.862 CV     1
 OR { 1053}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB2 ))
 OR { 1053}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 19   and name HB3 ))
 ASSI { 1054}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HB3 ))
      2.500     2.500     3.500 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      2.925 ppm2      1.679 CV     1
 OR { 1054}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HB3 ))
 OR { 1054}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 53   and name HG3 ))
 OR { 1054}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 53   and name HG3 ))
 ASSI { 1055}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG2 ))
      2.400     0.700     0.700 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      2.925 ppm2      1.639 CV     1
 OR { 1055}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG2 ))
 ASSI { 1056}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HD2 ))
      2.500     0.800     0.800 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      2.925 ppm2      1.464 CV     1
 OR { 1056}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD2 ))
 ASSI { 1057}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HD3 ))
      2.600     0.800     0.800 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.20198E-02 ppm1      2.925 ppm2      1.425 CV     1
 OR { 1057}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HD3 ))
 ASSI { 1058}
   (( segid "    " and resid 50   and name HE2 ))
   (( segid "    " and resid 50   and name HG3 ))
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      2.925 ppm2      1.338 CV     1
 OR { 1058}
   (( segid "    " and resid 50   and name HE3 ))
   (( segid "    " and resid 50   and name HG3 ))
 ASSI { 1059}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     2.500     3.500 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      1.635 ppm2      8.432 CV     1
 ASSI { 1060}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.200     2.200     3.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.48262E-02 ppm1      1.331 ppm2      8.422 CV     1
 ASSI { 1061}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     2.400     3.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      1.331 ppm2      9.457 CV     1
 ASSI { 1062}
   (( segid "    " and resid 50   and name HD3 ))
   (( segid "    " and resid 51   and name HN  ))
      2.300     2.300     3.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.42144E-02 ppm1      1.420 ppm2      9.462 CV     1
 ASSI { 1063}
   (( segid "    " and resid 50   and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.300     2.300     3.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      1.459 ppm2      9.461 CV     1
 ASSI { 1064}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.300     2.300     3.700 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.42824E-02 ppm1      1.644 ppm2      9.462 CV     1
 ASSI { 1065}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     2.400     3.600 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      1.683 ppm2      9.466 CV     1
 ASSI { 1066}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.300     2.300     3.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.40979E-02 ppm1      1.880 ppm2      9.462 CV     1
 ASSI { 1068}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      3.682 ppm2      8.537 CV     1
 ASSI { 1069}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     2.400     3.600 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      2.817 ppm2      8.532 CV     1
 ASSI { 1070}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     2.500     3.500 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      1.388 ppm2      8.533 CV     1
 ASSI { 1071}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     2.500     3.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      1.165 ppm2      8.530 CV     1
 ASSI { 1073}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HE  ))
      2.300     2.300     3.700 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.44572E-02 ppm1      3.675 ppm2      7.113 CV     1
 ASSI { 1074}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HE  ))
      2.300     2.300     3.700 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      1.387 ppm2      7.117 CV     1
 ASSI { 1075}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HE  ))
      2.400     2.400     3.600 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.147 ppm2      7.114 CV     1
 ASSI { 1076}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HE  ))
      2.400     0.700     0.700 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      0.661 ppm2      7.114 CV     1
 OR { 1076}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HE  ))
 ASSI { 1077}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.698 ppm2      1.150 CV     1
 ASSI { 1078}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB3 ))
      2.500     0.800     0.800 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      2.844 ppm2      1.385 CV     1
 OR { 1078}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI { 1079}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.500     0.800     0.800 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      2.840 ppm2      0.651 CV     1
 OR { 1079}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1080}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      3.698 ppm2      1.385 CV     1
 ASSI { 1081}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     2.400     3.600 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      3.686 ppm2      0.651 CV     1
 OR { 1081}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI { 1082}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.400     0.700     0.700 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      1.116 ppm2      0.671 CV     1
 OR { 1082}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1083}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      2.500     0.800     0.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      1.389 ppm2      0.671 CV     1
 OR { 1083}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1084}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HB3 ))
      6.000     4.500     0.000 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      1.124 CV     1
 ASSI { 1085}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.26801E-02 ppm1      4.201 ppm2      8.599 CV     1
 ASSI { 1088}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      3.764 ppm2      8.303 CV     1
 OR { 1088}
   (( segid "    " and resid 2    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1089}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.800     0.800 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      4.468 ppm2      8.306 CV     1
 ASSI { 1091}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HE  ))
      2.400     2.400     3.600 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      1.633 ppm2      7.440 CV     1
 ASSI { 1093}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HE  ))
      2.500     0.800     0.800 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      3.165 ppm2      7.440 CV     1
 OR { 1093}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HE  ))
 ASSI { 1094}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     2.400     3.600 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      2.538 ppm2      8.644 CV     1
 ASSI { 1095}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     2.500     3.500 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      2.680 ppm2      8.644 CV     1
 ASSI { 1096}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD21))
      2.300     2.300     3.700 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.42047E-02 ppm1      4.728 ppm2      7.461 CV     1
 ASSI { 1097}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD22))
      2.300     2.300     3.700 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.42921E-02 ppm1      4.733 ppm2      6.847 CV     1
 ASSI { 1098}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HE  ))
      2.400     0.700     0.700 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      3.081 ppm2      7.430 CV     1
 OR { 1098}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HE  ))
 ASSI { 1099}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 53   and name HE  ))
      2.400     0.700     0.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      1.666 ppm2      7.435 CV     1
 ASSI { 1101}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      4.025 ppm2      7.992 CV     1
 ASSI { 1104}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     2.400     3.600 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      2.879 ppm2      7.878 CV     1
 ASSI { 1105}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      2.770 ppm2      8.698 CV     1
 ASSI { 1106}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      2.879 ppm2      8.698 CV     1
 ASSI { 1107}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      3.989 ppm2      7.959 CV     1
 ASSI { 1109}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      3.503 ppm2      9.167 CV     1
 ASSI { 1113}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 89   and name HD% )
      2.400     0.800     0.800 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      3.239 ppm2      7.294 CV     1
 ASSI { 1115}
   (( segid "    " and resid 89   and name HB3 ))
   (  segid "    " and resid 89   and name HD% )
      2.400     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      3.048 ppm2      7.294 CV     1
 ASSI { 1116}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     2.400     3.600 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      3.694 ppm2      7.873 CV     1
 ASSI { 1118}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.300     2.300     3.700 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      3.514 ppm2      7.621 CV     1
 ASSI { 1119}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     2.400     3.600 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      3.414 ppm2      7.622 CV     1
 ASSI { 1120}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      3.426 ppm2      8.599 CV     1
 ASSI { 1121}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      3.501 ppm2      8.599 CV     1
 ASSI { 1122}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      3.002 ppm2      8.600 CV     1
 ASSI { 1123}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      4.202 ppm2      9.666 CV     1
 ASSI { 1124}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     2.400     3.600 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      2.998 ppm2      9.671 CV     1
 ASSI { 1125}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1125 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      1.567 ppm2      8.599 CV     1
 ASSI { 1126}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     2.300     3.700 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.39716E-02 ppm1      1.567 ppm2      9.664 CV     1
 ASSI { 1128}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      3.514 ppm2      5.344 CV     1
 ASSI { 1129}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HA  ))
      2.400     0.700     0.700 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.35638E-02 ppm1      3.411 ppm2      5.344 CV     1
 ASSI { 1132}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.800     0.800 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      3.440 ppm2      9.142 CV     1
 ASSI { 1133}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     2.400     3.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      3.092 ppm2      9.135 CV     1
 ASSI { 1134}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.500     0.800     0.800 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.23985E-02 ppm1      4.666 ppm2      1.634 CV     1
 ASSI { 1135}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB3 ))
      2.500     0.800     0.800 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      4.664 ppm2      1.399 CV     1
 ASSI { 1136}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      2.400     2.400     3.600 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      1.590 ppm2      9.066 CV     1
 ASSI { 1137}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      3.639 ppm2      9.167 CV     1
 ASSI { 1138}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      4.058 ppm2      9.164 CV     1
 ASSI { 1139}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HA2 ))
      2.600     0.800     0.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      4.078 ppm2      3.637 CV     1
 ASSI { 1140}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.200     2.200     3.800 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.56225E-02 ppm1      4.080 ppm2      7.294 CV     1
 ASSI { 1145}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.200     2.200     3.800 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.53311E-02 ppm1      4.324 ppm2      7.989 CV     1
 ASSI { 1146}
   (( segid "    " and resid 43   and name HB  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     2.400     3.600 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      2.272 ppm2      7.990 CV     1
 ASSI { 1154}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.300     2.300     3.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      1.768 ppm2      8.239 CV     1
 OR { 1154}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 61   and name HN  ))
 OR { 1154}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
 OR { 1154}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1155}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     2.400     3.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      1.906 ppm2      8.236 CV     1
 ASSI { 1156}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     2.500     3.500 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.27093E-02 ppm1      2.062 ppm2      8.239 CV     1
 ASSI { 1159}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HE  ))
      2.400     0.700     0.700 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      3.017 ppm2      7.286 CV     1
 OR { 1159}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HE  ))
 ASSI { 1160}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HE  ))
      2.400     0.700     0.700 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      2.061 ppm2      7.286 CV     1
 ASSI { 1161}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HE  ))
      2.400     0.700     0.700 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      1.913 ppm2      7.286 CV     1
 ASSI { 1163}
   (( segid "    " and resid 97   and name HB  ))
   (( segid "    " and resid 97   and name HN  ))
      2.300     2.300     3.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      1.485 ppm2      8.259 CV     1
 ASSI { 1164}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB  ))
      2.400     0.700     0.700 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      4.523 ppm2      1.482 CV     1
 ASSI { 1165}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      4.517 ppm2      0.699 CV     1
 ASSI { 1166}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 97   and name HG2%)
      2.600     0.800     0.800 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.21460E-02 ppm1      1.470 ppm2      0.701 CV     1
 ASSI { 1167}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 97   and name HD1%)
      2.600     0.900     0.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.18547E-02 ppm1      1.472 ppm2      0.457 CV     1
 ASSI { 1169}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.400     2.400     3.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      4.976 ppm2      7.573 CV     1
 ASSI { 1171}
   (( segid "    " and resid 93   and name HB3 ))
   (( segid "    " and resid 94   and name HN  ))
      2.300     2.300     3.700 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.41659E-02 ppm1      2.732 ppm2      7.573 CV     1
 ASSI { 1173}
   (  segid "    " and resid 89   and name HD% )
   (( segid "    " and resid 89   and name HN  ))
      2.400     0.700     0.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      7.279 ppm2      8.395 CV     1
 ASSI { 1178}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
      2.600     0.800     0.800 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.19615E-02 ppm1      1.332 ppm2      0.624 CV     1
 OR { 1178}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI { 1181}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB3 ))
      2.400     0.700     0.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      4.649 ppm2      1.328 CV     1
 OR { 1181}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1183}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      2.600     0.800     0.800 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.21849E-02 ppm1      1.562 ppm2      0.395 CV     1
 OR { 1183}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1185}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     0.800     0.800 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      1.132 ppm2      0.395 CV     1
 ASSI { 1194}
   (( segid "    " and resid 51   and name HG  ))
   (  segid "    " and resid 51   and name HD2%)
      2.600     0.800     0.800 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1      1.516 ppm2      0.931 CV     1
 OR { 1194}
   (( segid "    " and resid 51   and name HG  ))
   (  segid "    " and resid 51   and name HD1%)
 ASSI { 1196}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HG  ))
      2.500     0.800     0.800 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      1.802 ppm2      1.508 CV     1
 ASSI { 1197}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG  ))
      2.500     2.500     3.500 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      3.887 ppm2      1.508 CV     1
 ASSI { 1198}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD1%)
      2.500     0.800     0.800 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      3.887 ppm2      0.927 CV     1
 OR { 1198}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HD2%)
 ASSI { 1200}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      0.931 ppm2      9.461 CV     1
 ASSI { 1201}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB3 ))
      2.500     0.800     0.800 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      3.887 ppm2      1.686 CV     1
 ASSI { 1203}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HG  ))
      2.600     0.900     0.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.19130E-02 ppm1      1.815 ppm2      0.718 CV     1
 ASSI { 1204}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 61   and name HD1%)
      2.600     0.800     0.800 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.21169E-02 ppm1      1.815 ppm2      0.829 CV     1
 OR { 1204}
   (( segid "    " and resid 61   and name HB3 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI { 1206}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.500     0.800     0.800 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      1.347 ppm2      0.718 CV     1
 ASSI { 1211}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     2.400     3.600 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      1.347 ppm2      7.826 CV     1
 ASSI { 1212}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      1.358 ppm2      8.233 CV     1
 ASSI { 1213}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      2.600     0.800     0.800 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      3.644 ppm2      0.882 CV     1
 ASSI { 1214}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.500     0.800     0.800 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      4.231 ppm2      0.882 CV     1
 ASSI { 1215}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.400     0.700     0.700 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      4.205 ppm2      2.994 CV     1
 ASSI { 1216}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HG  ))
      2.500     0.800     0.800 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      4.599 ppm2      1.312 CV     1
 ASSI { 1218}
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 100  and name HD1%)
      2.600     0.800     0.800 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      4.591 ppm2      0.872 CV     1
 ASSI { 1219}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 100  and name HD1%)
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      1.323 ppm2      0.867 CV     1
 OR { 1219}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 100  and name HD2%)
 ASSI { 1223}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HB3 ))
      2.500     0.800     0.800 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      0.990 ppm2      0.327 CV     1
 ASSI { 1225}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.400     0.700     0.700 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      1.323 ppm2      0.995 CV     1
 ASSI { 1227}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      2.600     2.600     3.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.21946E-02 ppm1      0.866 ppm2      8.841 CV     1
 OR { 1227}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1228}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 100  and name HN  ))
      2.500     2.500     3.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      1.326 ppm2      8.840 CV     1
 ASSI { 1229}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 52   and name HA2 ))
      2.600     0.900     0.900 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.18936E-02 ppm1      4.088 ppm2      3.426 CV     1
 ASSI { 1230}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HA2 ))
      2.500     0.800     0.800 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.25539E-02 ppm1      4.552 ppm2      4.021 CV     1
 ASSI { 1231}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 7    and name HA2 ))
      2.600     0.900     0.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.19130E-02 ppm1      3.661 ppm2      2.348 CV     1
 ASSI { 1232}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.400     2.400     3.600 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      2.914 ppm2      8.676 CV     1
 ASSI { 1233}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      3.984 ppm2      2.897 CV     1
 ASSI { 1234}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      5.120 ppm2      9.960 CV     1
 ASSI { 1236}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      3.984 ppm2      2.561 CV     1
 OR { 1236}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
 ASSI { 1237}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.400     0.700     0.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.35250E-02 ppm1      3.983 ppm2      2.206 CV     1
 ASSI { 1238}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.500     0.800     0.800 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      3.985 ppm2      2.134 CV     1
 ASSI { 1239}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HG3 ))
      2.500     0.800     0.800 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      3.094 ppm2      1.667 CV     1
 OR { 1239}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG3 ))
 ASSI { 1240}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     0.700     0.700 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      3.094 ppm2      1.714 CV     1
 OR { 1240}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1241}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.400     2.400     3.600 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.31851E-02 ppm1      4.782 ppm2      1.714 CV     1
 ASSI { 1243}
   (( segid "    " and resid 53   and name HD2 ))
   (( segid "    " and resid 53   and name HB3 ))
      2.400     0.700     0.700 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      3.094 ppm2      1.966 CV     1
 OR { 1243}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HB3 ))
 OR { 1243}
   (( segid "    " and resid 53   and name HD3 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 1244}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HE  ))
      2.300     0.700     0.700 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      1.716 ppm2      7.435 CV     1
 ASSI { 1245}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     0.700     0.700 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      1.721 ppm2      7.622 CV     1
 ASSI { 1246}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.300     0.700     0.700 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.36415E-02 ppm1      3.193 ppm2      1.505 CV     1
 OR { 1246}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1247}
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.400     0.700     0.700 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      3.193 ppm2      1.468 CV     1
 OR { 1247}
   (( segid "    " and resid 46   and name HD3 ))
   (( segid "    " and resid 46   and name HG3 ))
 ASSI { 1249}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 35   and name HG  ))
      2.400     2.400     3.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      3.217 ppm2      1.584 CV     1
 ASSI { 1250}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HE  ))
      2.400     2.400     3.600 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.35638E-02 ppm1      1.473 ppm2      7.281 CV     1
 ASSI { 1251}
   (( segid "    " and resid 46   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     2.400     3.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      1.476 ppm2      7.689 CV     1
 ASSI { 1252}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 55   and name HG  ))
      2.400     2.400     3.600 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      2.799 ppm2      1.595 CV     1
 ASSI { 1253}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.500     0.800     0.800 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      5.562 ppm2      6.915 CV     1
 ASSI { 1254}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.37483E-02 ppm1      3.972 ppm2      9.309 CV     1
 ASSI { 1257}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     2.400     3.600 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      0.990 ppm2      8.820 CV     1
 ASSI { 1259}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     2.300     3.700 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.41659E-02 ppm1      1.333 ppm2      8.820 CV     1
 ASSI { 1260}
   (( segid "    " and resid 54   and name HG3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      1.581 ppm2      8.820 CV     1
 ASSI { 1261}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     2.500     3.500 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      1.764 ppm2      8.820 CV     1
 ASSI { 1263}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.300     2.300     3.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.36318E-02 ppm1      1.333 ppm2      9.350 CV     1
 ASSI { 1265}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     0.700     0.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      5.054 ppm2      1.759 CV     1
 ASSI { 1266}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG3 ))
      2.400     2.400     3.600 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      5.054 ppm2      1.568 CV     1
 ASSI { 1267}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB3 ))
      2.500     0.800     0.800 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      5.055 ppm2      1.347 CV     1
 ASSI { 1271}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HD3 ))
      2.400     0.700     0.700 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      2.968 ppm2      0.990 CV     1
 ASSI { 1273}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HB3 ))
      2.400     2.400     3.600 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      2.960 ppm2      1.341 CV     1
 ASSI { 1274}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HG3 ))
      2.500     2.500     3.500 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      2.959 ppm2      1.571 CV     1
 ASSI { 1275}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 54   and name HB2 ))
      2.400     2.400     3.600 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      2.960 ppm2      1.769 CV     1
 ASSI { 1277}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      1.827 ppm2      8.232 CV     1
 ASSI { 1278}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB3 ))
      2.400     0.700     0.700 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      3.702 ppm2      1.841 CV     1
 ASSI { 1279}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.500     0.800     0.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      3.702 ppm2      1.357 CV     1
 ASSI { 1281}
   (( segid "    " and resid 64   and name HA2 ))
   (  segid "    " and resid 61   and name HD2%)
      2.500     2.500     3.500 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      3.700 ppm2      0.826 CV     1
 OR { 1281}
   (( segid "    " and resid 64   and name HA2 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1292}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB3 ))
      2.400     0.700     0.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      4.495 ppm2      1.985 CV     1
 ASSI { 1293}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
      2.500     0.800     0.800 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      4.495 ppm2      2.030 CV     1
 ASSI { 1294}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG3 ))
      2.400     0.700     0.700 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      4.495 ppm2      2.485 CV     1
 ASSI { 1295}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HG2 ))
      2.400     0.700     0.700 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      4.495 ppm2      2.567 CV     1
 ASSI { 1300}
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HG3 ))
      6.000     4.500     0.000 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.569 ppm2      2.527 CV     1
 ASSI { 1301}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HB3 ))
      2.500     0.800     0.800 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      2.796 ppm2      2.529 CV     1
 ASSI { 1305}
   (( segid "    " and resid 71   and name HA2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.500     0.800     0.800 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      4.030 ppm2      8.372 CV     1
 OR { 1305}
   (( segid "    " and resid 71   and name HA1 ))
   (( segid "    " and resid 72   and name HN  ))
 ASSI { 1306}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.500     2.500     3.500 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      4.937 ppm2      6.909 CV     1
 ASSI { 1310}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.300     0.700     0.700 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      3.090 ppm2      6.911 CV     1
 ASSI { 1313}
   (( segid "    " and resid 109  and name HD22))
   (( segid "    " and resid 109  and name HD21))
      2.700     0.900     0.900 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.16217E-02 ppm1      6.895 ppm2      7.600 CV     1
 ASSI { 1314}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HD21))
      2.400     0.700     0.700 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      2.835 ppm2      7.605 CV     1
 ASSI { 1315}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HD21))
      2.400     0.700     0.700 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      2.733 ppm2      7.598 CV     1
 ASSI { 1316}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HD22))
      2.400     2.400     3.600 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      2.841 ppm2      6.895 CV     1
 ASSI { 1318}
   (( segid "    " and resid 11   and name HE22))
   (( segid "    " and resid 11   and name HE21))
      2.500     0.800     0.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      6.835 ppm2      7.502 CV     1
 ASSI { 1319}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.400     0.700     0.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      4.922 ppm2      1.904 CV     1
 ASSI { 1320}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB3 ))
      2.400     0.700     0.700 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      4.918 ppm2      1.837 CV     1
 ASSI { 1321}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HG3 ))
      2.400     0.700     0.700 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      4.922 ppm2      1.975 CV     1
 OR { 1321}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HG2 ))
 ASSI { 1322}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.300     0.700     0.700 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      1.981 ppm2      8.018 CV     1
 ASSI { 1323}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.400     2.400     3.600 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      1.907 ppm2      8.019 CV     1
 ASSI { 1324}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.300     2.300     3.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.36609E-02 ppm1      1.837 ppm2      8.019 CV     1
 ASSI { 1325}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HH21))
      2.500     2.500     3.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      2.942 ppm2      6.348 CV     1
 OR { 1325}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HH21))
 OR { 1325}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HH22))
 ASSI { 1326}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HH21))
      2.400     2.400     3.600 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      1.446 ppm2      6.346 CV     1
 OR { 1326}
   (( segid "    " and resid 99   and name HG2 ))
   (( segid "    " and resid 99   and name HH22))
 OR { 1326}
   (( segid "    " and resid 99   and name HG3 ))
   (( segid "    " and resid 99   and name HH21))
 ASSI { 1327}
   (( segid "    " and resid 99   and name HH22))
   (( segid "    " and resid 99   and name HE  ))
      2.500     2.500     3.500 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      6.352 ppm2      7.366 CV     1
 ASSI { 1328}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HE3 ))
      2.400     2.400     3.600 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1     -0.996 ppm2      7.202 CV     1
 OR { 1328}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name HE3 ))
 ASSI { 1329}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HH2 ))
      2.400     2.400     3.600 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1     -1.000 ppm2      7.101 CV     1
 OR { 1329}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name HH2 ))
 ASSI { 1332}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.400     0.700     0.700 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      0.332 ppm2      8.012 CV     1
 ASSI { 1339}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      8.695 ppm2     10.056 CV     1
 ASSI { 1340}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.400     0.700     0.700 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      8.647 ppm2      9.956 CV     1
 ASSI { 1343}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     0.700     0.700 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      9.080 ppm2      9.666 CV     1
 ASSI { 1345}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      0.333 ppm2      8.838 CV     1
 ASSI { 1346}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 100  and name HB3 ))
      2.500     0.800     0.800 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      1.329 ppm2      0.332 CV     1
 ASSI { 1347}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB3 ))
      2.500     0.800     0.800 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      4.692 ppm2      3.029 CV     1
 ASSI { 1348}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      4.935 ppm2      3.431 CV     1
 ASSI { 1349}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.500     0.800     0.800 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.931 ppm2      3.089 CV     1
 ASSI { 1351}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HD1%)
      2.400     2.400     3.600 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      4.513 ppm2      0.454 CV     1
 ASSI { 1354}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
      2.500     2.500     3.500 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      4.303 ppm2      2.302 CV     1
 ASSI { 1355}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG3 ))
      2.500     2.500     3.500 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.782 ppm2      1.682 CV     1
 ASSI { 1356}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HE1 ))
      2.300     2.300     3.700 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.39037E-02 ppm1     -0.995 ppm2      9.896 CV     1
 ASSI { 1358}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      2.400     2.400     3.600 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      0.973 ppm2      9.665 CV     1
 OR { 1358}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1359}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.300     2.300     3.700 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.43601E-02 ppm1      5.570 ppm2      9.894 CV     1
 ASSI { 1360}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      7.846 ppm2      9.466 CV     1
 ASSI { 1361}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      7.989 ppm2      9.453 CV     1
 ASSI { 1362}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      9.062 ppm2      9.453 CV     1
 ASSI { 1365}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.37969E-02 ppm1      7.178 ppm2      9.345 CV     1
 ASSI { 1367}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      6.565 ppm2      9.302 CV     1
 ASSI { 1368}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 60   and name HN  ))
      2.400     2.400     3.600 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      6.436 ppm2      8.828 CV     1
 ASSI { 1369}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.400     0.700     0.700 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      5.676 ppm2      8.834 CV     1
 ASSI { 1370}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     0.700     0.700 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      5.870 ppm2      9.047 CV     1
 ASSI { 1376}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      2.300     2.300     3.700 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1     -0.046 ppm2      8.148 CV     1
 OR { 1376}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1377}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.400     2.400     3.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      0.991 ppm2      8.013 CV     1
 ASSI { 1396}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HE22))
      2.300     0.700     0.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      0.506 ppm2      6.954 CV     1
 ASSI { 1397}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name HE22))
      2.400     2.400     3.600 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      0.605 ppm2      6.960 CV     1
 ASSI { 1402}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HE21))
      2.300     0.700     0.700 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.42144E-02 ppm1      0.501 ppm2      7.312 CV     1
 ASSI { 1403}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name HE21))
      2.400     2.400     3.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.35832E-02 ppm1      0.601 ppm2      7.311 CV     1
 ASSI { 1407}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HA  ))
      2.300     2.300     3.700 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.37969E-02 ppm1      4.186 ppm2      5.346 CV     1
 ASSI { 1410}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      2.400     0.700     0.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.33599E-02 ppm1      0.180 ppm2      8.141 CV     1
 ASSI { 1412}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      0.196 ppm2      9.352 CV     1
 ASSI { 1414}
   (( segid "    " and resid 1    and name HA2 ))
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      3.855 ppm2      8.598 CV     1
 OR { 1414}
   (( segid "    " and resid 1    and name HA1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI { 1415}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      2.400     0.700     0.700 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      4.828 ppm2      5.665 CV     1
 ASSI { 1416}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     2.300     3.700 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      5.022 ppm2      7.858 CV     1
 ASSI { 1422}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 60   and name HD% )
      2.500     2.500     3.500 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.27093E-02 ppm1      0.729 ppm2      6.574 CV     1
 ASSI { 1423}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      0.826 ppm2      6.575 CV     1
 OR { 1423}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 60   and name HD% )
 ASSI { 1424}
   (  segid "    " and resid 55   and name HD2%)
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      0.935 ppm2      6.577 CV     1
 OR { 1424}
   (  segid "    " and resid 55   and name HD1%)
   (  segid "    " and resid 60   and name HD% )
 ASSI { 1428}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.500     0.800     0.800 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      7.575 ppm2      8.494 CV     1
 ASSI { 1429}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     2.500     3.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      7.623 ppm2      8.421 CV     1
 ASSI { 1430}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     0.800     0.800 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      7.656 ppm2      8.644 CV     1
 ASSI { 1431}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      7.889 ppm2      8.536 CV     1
 ASSI { 1432}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     2.500     3.500 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      7.961 ppm2      8.686 CV     1
 ASSI { 1433}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     0.800     0.800 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      8.038 ppm2      8.872 CV     1
 ASSI { 1435}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HN  ))
      2.400     2.400     3.600 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      7.179 ppm2      8.439 CV     1
 ASSI { 1436}
   (  segid "    " and resid 105  and name HD% )
   (( segid "    " and resid 106  and name HN  ))
      2.400     2.400     3.600 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      7.209 ppm2      8.151 CV     1
 ASSI { 1437}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      7.238 ppm2      8.287 CV     1
 ASSI { 1441}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      2.300     2.300     3.700 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.42144E-02 ppm1      6.234 ppm2      8.949 CV     1
 ASSI { 1442}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HD2 ))
      2.600     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1      4.642 ppm2      3.813 CV     1
 ASSI { 1443}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HD3 ))
      2.500     0.800     0.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      4.642 ppm2      3.724 CV     1
 ASSI { 1444}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.800     0.800 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      4.014 ppm2     -1.004 CV     1
 OR { 1444}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1448}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HA  ))
      2.300     0.700     0.700 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      3.217 ppm2      5.004 CV     1
 ASSI { 1449}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.500     2.500     3.500 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      4.045 ppm2      6.228 CV     1
 ASSI { 1450}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.500     2.500     3.500 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      3.597 ppm2      6.230 CV     1
 ASSI { 1452}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 48   and name HD% )
      2.500     2.500     3.500 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      2.722 ppm2      6.228 CV     1
 OR { 1452}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 48   and name HD% )
 OR { 1452}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1461}
   (( segid "    " and resid 57   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      3.601 ppm2      6.421 CV     1
 ASSI { 1463}
   (  segid "    " and resid 48   and name HD% )
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      6.243 ppm2      6.575 CV     1
 ASSI { 1464}
   (( segid "    " and resid 99   and name HH21))
   (  segid "    " and resid 17   and name HD% )
      2.400     0.700     0.700 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      6.360 ppm2      7.036 CV     1
 ASSI { 1465}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.400     2.400     3.600 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      6.105 ppm2      9.664 CV     1
 ASSI { 1466}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     2.500     3.500 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      9.155 ppm2      9.352 CV     1
 ASSI { 1467}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.500     0.800     0.800 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      8.243 ppm2      9.068 CV     1
 ASSI { 1468}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      8.340 ppm2      8.996 CV     1
 ASSI { 1469}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     0.700     0.700 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      8.194 ppm2      8.966 CV     1
 ASSI { 1472}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.22432E-02 ppm1      7.665 ppm2      7.934 CV     1
 ASSI { 1475}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     2.400     3.600 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      7.939 ppm2      8.334 CV     1
 ASSI { 1476}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      7.484 ppm2      7.654 CV     1
 ASSI { 1477}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     2.400     3.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      7.480 ppm2      7.935 CV     1
 ASSI { 1479}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.400     2.400     3.600 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      4.037 ppm2      7.655 CV     1
 ASSI { 1481}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     0.800     0.800 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      7.475 ppm2      7.822 CV     1
 ASSI { 1482}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      7.837 ppm2      8.228 CV     1
 ASSI { 1483}
   (( segid "    " and resid 91   and name HB2 ))
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.42630E-02 ppm1      2.810 ppm2      6.478 CV     1
 ASSI { 1484}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      8.239 ppm2      8.834 CV     1
 ASSI { 1486}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.500     0.000 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      8.225 CV     1
 ASSI { 1487}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.300     2.300     3.700 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      2.554 ppm2      8.833 CV     1
 ASSI { 1488}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     2.400     3.600 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      3.118 ppm2      8.832 CV     1
 ASSI { 1490}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.30977E-02 ppm1      1.834 ppm2      9.331 CV     1
 ASSI { 1491}
   (( segid "    " and resid 101  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      1.882 ppm2      9.328 CV     1
 ASSI { 1492}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      1.967 ppm2      9.331 CV     1
 OR { 1492}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 102  and name HN  ))
 ASSI { 1494}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      8.500 ppm2      8.996 CV     1
 ASSI { 1496}
   (( segid "    " and resid 111  and name HG12))
   (( segid "    " and resid 112  and name HN  ))
      2.200     2.200     3.800 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.51369E-02 ppm1      1.424 ppm2      8.438 CV     1
 ASSI { 1497}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.600     0.800     0.800 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      4.218 ppm2      8.439 CV     1
 ASSI { 1498}
   (( segid "    " and resid 110  and name HA2 ))
   (( segid "    " and resid 111  and name HN  ))
      2.500     0.800     0.800 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      3.964 ppm2      7.995 CV     1
 ASSI { 1500}
   (( segid "    " and resid 112  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
      2.500     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.696 ppm2      8.270 CV     1
 ASSI { 1501}
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      2.400     0.700     0.700 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      4.676 ppm2      7.881 CV     1
 ASSI { 1502}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      4.202 ppm2      7.162 CV     1
 ASSI { 1511}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      8.442 ppm2      9.348 CV     1
 ASSI { 1512}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.300     0.700     0.700 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      2.589 ppm2      7.875 CV     1
 ASSI { 1513}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      3.422 ppm2      7.875 CV     1
 ASSI { 1519}
   (( segid "    " and resid 20   and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      2.300     0.700     0.700 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      1.852 ppm2      7.163 CV     1
 ASSI { 1520}
   (( segid "    " and resid 20   and name HB3 ))
   (  segid "    " and resid 25   and name HD% )
      2.500     0.800     0.800 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      1.663 ppm2      7.164 CV     1
 ASSI { 1522}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.400     2.400     3.600 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      2.723 ppm2      8.029 CV     1
 ASSI { 1530}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 92   and name HN  ))
      2.300     2.300     3.700 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.46514E-02 ppm1      6.235 ppm2      8.981 CV     1
 ASSI { 1531}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      2.400     2.400     3.600 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      6.237 ppm2      8.878 CV     1
 ASSI { 1532}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 49   and name HN  ))
      2.400     2.400     3.600 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      6.238 ppm2      8.837 CV     1
 ASSI { 1533}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.500     0.800     0.800 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      7.638 ppm2      8.115 CV     1
 ASSI { 1534}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.400     2.400     3.600 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      7.633 ppm2      8.151 CV     1
 ASSI { 1538}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     2.300     3.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.36997E-02 ppm1      3.700 ppm2      7.480 CV     1
 ASSI { 1541}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.200     2.200     3.800 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.47194E-02 ppm1      6.574 ppm2      8.333 CV     1
 OR { 1541}
   (  segid "    " and resid 60   and name HE% )
   (( segid "    " and resid 91   and name HN  ))
 OR { 1541}
   (  segid "    " and resid 60   and name HE% )
   (( segid "    " and resid 66   and name HN  ))
 ASSI { 1548}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      2.400     2.400     3.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.35638E-02 ppm1      4.204 ppm2      7.341 CV     1
 ASSI { 1550}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.400     2.400     3.600 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      0.495 ppm2      8.685 CV     1
 ASSI { 1556}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      0.929 ppm2      8.411 CV     1
 OR { 1556}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
 ASSI { 1560}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.300     2.300     3.700 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.39716E-02 ppm1      0.413 ppm2      9.668 CV     1
 OR { 1560}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1561}
   (( segid "    " and resid 97   and name HG12))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      0.415 ppm2      8.245 CV     1
 ASSI { 1563}
   (( segid "    " and resid 52   and name HA2 ))
   (  segid "    " and resid 49   and name HD% )
      2.400     2.400     3.600 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      3.428 ppm2      6.717 CV     1
 ASSI { 1567}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.500     0.800     0.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      0.620 ppm2     -1.002 CV     1
 OR { 1567}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR { 1567}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1568}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 31   and name HD1%)
      2.400     2.400     3.600 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      1.156 ppm2     -1.002 CV     1
 OR { 1568}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1569}
   (( segid "    " and resid 54   and name HE3 ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     2.400     3.600 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      2.978 ppm2     -1.002 CV     1
 OR { 1569}
   (( segid "    " and resid 54   and name HE3 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1572}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      1.854 ppm2     -1.000 CV     1
 OR { 1572}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1574}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      4.003 ppm2      0.214 CV     1
 OR { 1574}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1577}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA2 ))
      2.400     2.400     3.600 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.35638E-02 ppm1      4.354 ppm2      2.353 CV     1
 ASSI { 1578}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA1 ))
      2.300     2.300     3.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.39231E-02 ppm1      4.356 ppm2      3.672 CV     1
 ASSI { 1582}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HA  ))
      2.400     2.400     3.600 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.32142E-02 ppm1      3.993 ppm2      3.552 CV     1
 ASSI { 1583}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      2.400     2.400     3.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      3.693 ppm2      2.832 CV     1
 OR { 1583}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI { 1584}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 102  and name HB2 ))
      2.300     2.300     3.700 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1      3.693 ppm2      3.220 CV     1
 ASSI { 1585}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HB3 ))
      2.500     0.800     0.800 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      3.427 ppm2      2.788 CV     1
 ASSI { 1587}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      2.000     2.000     4.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.85162E-02 ppm1      2.802 ppm2      0.093 CV     1
 OR { 1587}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1588}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 4    and name HD2%)
      2.200     2.200     3.800 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.48165E-02 ppm1      2.537 ppm2     -0.059 CV     1
 OR { 1588}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1592}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
      2.500     0.800     0.800 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.212 ppm2     -0.058 CV     1
 OR { 1592}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 1594}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.300     2.300     3.700 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.38066E-02 ppm1      4.293 ppm2      0.098 CV     1
 OR { 1594}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1598}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 4    and name HD1%)
      2.400     2.400     3.600 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      0.893 ppm2     -0.052 CV     1
 OR { 1598}
   (  segid "    " and resid 5    and name HG2%)
   (  segid "    " and resid 4    and name HD2%)
 ASSI { 1602}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.24082E-02 ppm1      4.349 ppm2      0.176 CV     1
 ASSI { 1603}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 13   and name HG2%)
      2.500     0.800     0.800 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      3.443 ppm2      0.483 CV     1
 ASSI { 1612}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      2.500     0.800     0.800 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      4.189 ppm2      0.393 CV     1
 OR { 1612}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1614}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      2.400     2.400     3.600 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      4.640 ppm2      0.395 CV     1
 OR { 1614}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1619}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      2.400     2.400     3.600 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      3.004 ppm2      0.750 CV     1
 OR { 1619}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1621}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.400     2.400     3.600 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      1.771 ppm2      0.392 CV     1
 OR { 1621}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 1624}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.200     2.200     3.800 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.47097E-02 ppm1      3.433 ppm2      6.095 CV     1
 ASSI { 1637}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      2.600     0.800     0.800 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.20101E-02 ppm1      3.113 ppm2      2.538 CV     1
 ASSI { 1638}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      2.600     0.800     0.800 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      4.557 ppm2      3.102 CV     1
 ASSI { 1639}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      4.591 ppm2      2.974 CV     1
 ASSI { 1640}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.500     0.800     0.800 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.23888E-02 ppm1      4.557 ppm2      3.268 CV     1
 ASSI { 1641}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      4.601 ppm2      2.605 CV     1
 ASSI { 1642}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      2.500     0.800     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      4.733 ppm2      3.398 CV     1
 ASSI { 1645}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.400     2.400     3.600 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      4.737 ppm2      2.308 CV     1
 OR { 1645}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG3 ))
 ASSI { 1653}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 22   and name HD1%)
      2.300     2.300     3.700 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      4.003 ppm2      0.598 CV     1
 ASSI { 1656}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.300     0.700     0.700 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.38454E-02 ppm1      4.235 ppm2      0.181 CV     1
 ASSI { 1658}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.300     2.300     3.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      3.490 ppm2      0.596 CV     1
 ASSI { 1660}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.100     2.100     3.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.62634E-02 ppm1      3.492 ppm2      1.854 CV     1
 ASSI { 1663}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 13   and name HG12))
      2.300     2.300     3.700 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.43601E-02 ppm1      3.427 ppm2      1.081 CV     1
 ASSI { 1664}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 51   and name HA  ))
      2.300     2.300     3.700 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.42630E-02 ppm1      4.077 ppm2      3.888 CV     1
 ASSI { 1667}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     2.400     3.600 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.35929E-02 ppm1      5.758 ppm2      0.618 CV     1
 OR { 1667}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 1668}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 97   and name HG2%)
      2.300     2.300     3.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.36609E-02 ppm1      5.675 ppm2      0.695 CV     1
 ASSI { 1669}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     2.400     3.600 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      2.356 ppm2      0.617 CV     1
 OR { 1669}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 1670}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 22   and name HG2%)
      2.300     2.300     3.700 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.45154E-02 ppm1      2.348 ppm2      0.492 CV     1
 ASSI { 1671}
   (( segid "    " and resid 15   and name HB2 ))
   (  segid "    " and resid 13   and name HG2%)
      2.300     2.300     3.700 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      2.579 ppm2      0.480 CV     1
 ASSI { 1673}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 22   and name HG2%)
      2.300     2.300     3.700 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.40590E-02 ppm1      2.921 ppm2      0.496 CV     1
 ASSI { 1674}
   (( segid "    " and resid 95   and name HD3 ))
   (  segid "    " and resid 22   and name HG2%)
      2.300     2.300     3.700 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      3.031 ppm2      0.497 CV     1
 ASSI { 1675}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 13   and name HG2%)
      2.400     0.700     0.700 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      3.085 ppm2      0.484 CV     1
 ASSI { 1676}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      2.300     2.300     3.700 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.41561E-02 ppm1      3.004 ppm2      0.396 CV     1
 OR { 1676}
   (( segid "    " and resid 33   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1682}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.400     2.400     3.600 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      4.935 ppm2      0.484 CV     1
 ASSI { 1685}
   (( segid "    " and resid 101  and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.31365E-02 ppm1      1.833 ppm2      7.036 CV     1
 ASSI { 1686}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.29229E-02 ppm1      1.909 ppm2      7.036 CV     1
 ASSI { 1689}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 17   and name HE% )
      2.500     2.500     3.500 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      2.840 ppm2      6.693 CV     1
 OR { 1689}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 17   and name HE% )
 ASSI { 1695}
   (( segid "    " and resid 57   and name HG2 ))
   (  segid "    " and resid 48   and name HD% )
      2.500     2.500     3.500 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      1.623 ppm2      6.481 CV     1
 ASSI { 1699}
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.34376E-02 ppm1      1.369 ppm2      6.421 CV     1
 ASSI { 1700}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      3.704 ppm2      6.421 CV     1
 ASSI { 1710}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      1.997 ppm2      8.964 CV     1
 ASSI { 1711}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
      2.300     0.700     0.700 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.36512E-02 ppm1      3.584 ppm2      3.162 CV     1
 OR { 1711}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HD3 ))
 ASSI { 1715}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
      2.400     2.400     3.600 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      3.594 ppm2      1.412 CV     1
 ASSI { 1720}
   (( segid "    " and resid 60   and name HB3 ))
   (  segid "    " and resid 48   and name HE% )
      2.400     2.400     3.600 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.32725E-02 ppm1      2.710 ppm2      6.478 CV     1
 OR { 1720}
   (( segid "    " and resid 93   and name HB3 ))
   (  segid "    " and resid 48   and name HE% )
 OR { 1720}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 48   and name HE% )
 ASSI { 1722}
   (( segid "    " and resid 54   and name HG3 ))
   (  segid "    " and resid 49   and name HD% )
      2.300     2.300     3.700 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.39425E-02 ppm1      1.569 ppm2      6.902 CV     1
 ASSI { 1726}
   (( segid "    " and resid 54   and name HB2 ))
   (  segid "    " and resid 49   and name HD% )
      2.300     2.300     3.700 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.42533E-02 ppm1      1.762 ppm2      6.900 CV     1
 ASSI { 1730}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
      2.400     2.400     3.600 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      0.997 ppm2      0.616 CV     1
 OR { 1730}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR { 1730}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 1731}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 31   and name HB3 ))
      2.400     2.400     3.600 peak  1731 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      0.997 ppm2      0.599 CV     1
 OR { 1731}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 22   and name HD1%)
 ASSI { 1738}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.24859E-02 ppm1      0.951 ppm2      6.095 CV     1
 OR { 1738}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1739}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.33210E-02 ppm1      0.956 ppm2      8.736 CV     1
 OR { 1739}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1759}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 49   and name HA  ))
      2.400     2.400     3.600 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      5.056 ppm2      5.750 CV     1
 ASSI { 1760}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      4.917 ppm2      5.605 CV     1
 ASSI { 1761}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      4.357 ppm2      5.862 CV     1
 ASSI { 1762}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 55   and name HA  ))
      2.400     2.400     3.600 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      4.211 ppm2      6.096 CV     1
 ASSI { 1765}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     2.300     3.700 peak  1765 spectrum    1 weight  0.10000E+01 volume  0.42921E-02 ppm1      4.352 ppm2      9.171 CV     1
 ASSI { 1766}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HZ2 ))
      2.400     2.400     3.600 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1     -1.000 ppm2      7.051 CV     1
 OR { 1766}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 26   and name HZ2 ))
 ASSI { 1767}
   (  segid "    " and resid 40   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      0.407 ppm2     -1.001 CV     1
 OR { 1767}
   (  segid "    " and resid 40   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1768}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.400     0.700     0.700 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      0.476 ppm2     -1.001 CV     1
 OR { 1768}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR { 1768}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1769}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.400     0.700     0.700 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      0.997 ppm2     -1.000 CV     1
 OR { 1769}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR { 1769}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1772}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     2.400     3.600 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      1.312 ppm2      0.218 CV     1
 OR { 1772}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 1773}
   (( segid "    " and resid 13   and name HG13))
   (( segid "    " and resid 27   and name HE1 ))
      2.300     2.300     3.700 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1     -0.568 ppm2      7.232 CV     1
 ASSI { 1774}
   (( segid "    " and resid 13   and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      2.300     2.300     3.700 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.36609E-02 ppm1     -0.579 ppm2      8.141 CV     1
 ASSI { 1776}
   (  segid "    " and resid 4    and name HD2%)
   (  segid "    " and resid 25   and name HD% )
      2.500     0.800     0.800 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1     -0.054 ppm2      7.165 CV     1
 ASSI { 1778}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.32725E-02 ppm1      0.182 ppm2      7.160 CV     1
 ASSI { 1779}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 27   and name HE1 ))
      2.200     2.200     3.800 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.47485E-02 ppm1      0.179 ppm2      7.227 CV     1
 ASSI { 1782}
   (  segid "    " and resid 4    and name HD2%)
   (  segid "    " and resid 20   and name HZ% )
      2.400     0.700     0.700 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      0.103 ppm2      6.929 CV     1
 ASSI { 1787}
   (( segid "    " and resid 100  and name HB3 ))
   (  segid "    " and resid 20   and name HZ% )
      2.300     2.300     3.700 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      0.329 ppm2      6.930 CV     1
 ASSI { 1788}
   (( segid "    " and resid 100  and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.400     0.700     0.700 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      0.323 ppm2      6.776 CV     1
 ASSI { 1790}
   (  segid "    " and resid 13   and name HD1%)
   (  segid "    " and resid 18   and name HD% )
      2.500     0.800     0.800 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      0.201 ppm2      6.911 CV     1
 ASSI { 1791}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 26   and name HZ2 ))
      2.500     0.800     0.800 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.27384E-02 ppm1      0.507 ppm2      7.051 CV     1
 ASSI { 1792}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 26   and name HH2 ))
      2.300     2.300     3.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1      0.509 ppm2      7.104 CV     1
 ASSI { 1793}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HH2 ))
      2.400     2.400     3.600 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      0.603 ppm2      7.105 CV     1
 ASSI { 1794}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HZ2 ))
      2.500     0.800     0.800 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      0.603 ppm2      7.047 CV     1
 ASSI { 1795}
   (  segid "    " and resid 22   and name HG2%)
   (  segid "    " and resid 49   and name HD% )
      2.400     0.700     0.700 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      0.488 ppm2      6.907 CV     1
 ASSI { 1796}
   (  segid "    " and resid 22   and name HD1%)
   (  segid "    " and resid 49   and name HD% )
      2.500     0.800     0.800 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      0.609 ppm2      6.902 CV     1
 ASSI { 1799}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 25   and name HD% )
      2.400     2.400     3.600 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      0.485 ppm2      6.777 CV     1
 ASSI { 1800}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 25   and name HD% )
      2.300     2.300     3.700 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      0.804 ppm2      7.165 CV     1
 ASSI { 1801}
   (( segid "    " and resid 20   and name HD3 ))
   (  segid "    " and resid 25   and name HD% )
      2.500     2.500     3.500 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.24471E-02 ppm1      0.887 ppm2      7.162 CV     1
 ASSI { 1802}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 12   and name HD22))
      2.300     2.300     3.700 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      0.824 ppm2      6.844 CV     1
 OR { 1802}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 12   and name HD22))
 ASSI { 1806}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      0.664 ppm2      6.690 CV     1
 OR { 1806}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 1807}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      1.145 ppm2      7.038 CV     1
 ASSI { 1808}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 26   and name HE1 ))
      2.300     2.300     3.700 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      0.513 ppm2      9.898 CV     1
 ASSI { 1809}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HE1 ))
      2.300     0.700     0.700 peak  1809 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      0.607 ppm2      9.898 CV     1
 ASSI { 1810}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     2.500     3.500 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      1.152 ppm2      9.895 CV     1
 ASSI { 1811}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     2.500     3.500 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.23500E-02 ppm1      1.717 ppm2      9.895 CV     1
 ASSI { 1812}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.400     2.400     3.600 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      7.966 ppm2      9.895 CV     1
 ASSI { 1813}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     0.800     0.800 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      9.141 ppm2      9.894 CV     1
 ASSI { 1814}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      6.923 ppm2      9.450 CV     1
 ASSI { 1815}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     0.700     0.700 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.29132E-02 ppm1      7.213 ppm2      9.455 CV     1
 ASSI { 1817}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      7.045 ppm2      8.697 CV     1
 ASSI { 1818}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      7.963 ppm2      9.131 CV     1
 ASSI { 1819}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     2.300     3.700 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.39231E-02 ppm1      8.038 ppm2      9.074 CV     1
 ASSI { 1820}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     2.300     3.700 peak  1820 spectrum    1 weight  0.10000E+01 volume  0.37386E-02 ppm1      7.219 ppm2      9.159 CV     1
 ASSI { 1821}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.300     2.300     3.700 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      6.926 ppm2      9.160 CV     1
 ASSI { 1822}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      6.927 ppm2      9.132 CV     1
 ASSI { 1823}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 21   and name HN  ))
      2.200     2.200     3.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.46902E-02 ppm1      7.183 ppm2      9.131 CV     1
 ASSI { 1824}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      2.400     2.400     3.600 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      3.679 ppm2      7.196 CV     1
 ASSI { 1825}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.400     2.400     3.600 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      4.007 ppm2      7.205 CV     1
 ASSI { 1826}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 27   and name HE1 ))
      2.400     2.400     3.600 peak  1826 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      3.876 ppm2      7.230 CV     1
 ASSI { 1828}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.300     2.300     3.700 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.39619E-02 ppm1      4.551 ppm2      7.206 CV     1
 ASSI { 1833}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 105  and name HD% )
      2.400     0.700     0.700 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.35929E-02 ppm1      1.390 ppm2      7.196 CV     1
 ASSI { 1834}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 105  and name HD% )
      2.300     0.700     0.700 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.40979E-02 ppm1      1.145 ppm2      7.197 CV     1
 ASSI { 1836}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      2.534 ppm2      0.181 CV     1
 ASSI { 1837}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      2.794 ppm2      0.176 CV     1
 ASSI { 1838}
   (( segid "    " and resid 6    and name HB2 ))
   (  segid "    " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      3.436 ppm2      0.177 CV     1
 ASSI { 1839}
   (( segid "    " and resid 6    and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
      2.400     0.700     0.700 peak  1839 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      2.294 ppm2      0.177 CV     1
 ASSI { 1840}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     2.500     3.500 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      2.799 ppm2      0.752 CV     1
 OR { 1840}
   (( segid "    " and resid 56   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 1842}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 61   and name HG  ))
      2.400     2.400     3.600 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.35250E-02 ppm1      3.454 ppm2      0.720 CV     1
 ASSI { 1844}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
      2.300     0.700     0.700 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.38260E-02 ppm1      5.362 ppm2      0.752 CV     1
 ASSI { 1846}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
      2.400     2.400     3.600 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      5.359 ppm2      1.548 CV     1
 ASSI { 1849}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.300     2.300     3.700 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.41367E-02 ppm1      3.511 ppm2      9.454 CV     1
 ASSI { 1851}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      3.751 ppm2      8.644 CV     1
 ASSI { 1852}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     2.300     3.700 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.39037E-02 ppm1      3.929 ppm2      8.644 CV     1
 ASSI { 1853}
   (  segid "    " and resid 13   and name HG2%)
   (  segid "    " and resid 4    and name HD1%)
      2.400     0.700     0.700 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      0.492 ppm2      0.101 CV     1
 ASSI { 1855}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.300     2.300     3.700 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.44863E-02 ppm1      4.070 ppm2      8.999 CV     1
 OR { 1855}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 1856}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     2.300     3.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.36997E-02 ppm1      4.215 ppm2      8.870 CV     1
 ASSI { 1857}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     0.800     0.800 peak  1857 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      4.358 ppm2      9.046 CV     1
 ASSI { 1858}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     2.300     3.700 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      4.223 ppm2      9.065 CV     1
 ASSI { 1859}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.300     2.300     3.700 peak  1859 spectrum    1 weight  0.10000E+01 volume  0.43018E-02 ppm1      3.589 ppm2      8.833 CV     1
 ASSI { 1860}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     2.300     3.700 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.43504E-02 ppm1      5.121 ppm2      8.644 CV     1
 ASSI { 1861}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.300     2.300     3.700 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.37289E-02 ppm1      3.681 ppm2      9.334 CV     1
 ASSI { 1862}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.400     2.400     3.600 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      3.876 ppm2      6.562 CV     1
 ASSI { 1863}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      0.485 ppm2      6.561 CV     1
 ASSI { 1864}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      0.768 ppm2      8.732 CV     1
 OR { 1864}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1865}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
      2.300     2.300     3.700 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.36318E-02 ppm1      0.755 ppm2      8.957 CV     1
 OR { 1865}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 1866}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      0.762 ppm2      8.601 CV     1
 OR { 1866}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1867}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      2.400     2.400     3.600 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      0.192 ppm2      9.048 CV     1
 ASSI { 1868}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 19   and name HN  ))
      2.400     2.400     3.600 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      0.487 ppm2      9.139 CV     1
 ASSI { 1869}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      2.300     2.300     3.700 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.36706E-02 ppm1      0.203 ppm2      9.157 CV     1
 ASSI { 1870}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      2.300     0.700     0.700 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      0.705 ppm2      9.299 CV     1
 ASSI { 1872}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 48   and name HD% )
      2.400     0.700     0.700 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      1.796 ppm2      6.230 CV     1
 OR { 1872}
   (( segid "    " and resid 94   and name HB3 ))
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1874}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 48   and name HE% )
      2.400     2.400     3.600 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      1.803 ppm2      6.483 CV     1
 OR { 1874}
   (( segid "    " and resid 94   and name HB3 ))
   (  segid "    " and resid 48   and name HE% )
 ASSI { 1876}
   (( segid "    " and resid 58   and name HD3 ))
   (  segid "    " and resid 48   and name HD% )
      2.400     2.400     3.600 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      3.201 ppm2      6.229 CV     1
 OR { 1876}
   (( segid "    " and resid 58   and name HD2 ))
   (  segid "    " and resid 48   and name HD% )
 OR { 1876}
   (( segid "    " and resid 46   and name HD3 ))
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1877}
   (( segid "    " and resid 58   and name HD3 ))
   (  segid "    " and resid 48   and name HE% )
      2.400     2.400     3.600 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      3.203 ppm2      6.480 CV     1
 OR { 1877}
   (( segid "    " and resid 58   and name HD2 ))
   (  segid "    " and resid 48   and name HE% )
 OR { 1877}
   (( segid "    " and resid 46   and name HD3 ))
   (  segid "    " and resid 48   and name HE% )
 ASSI { 1878}
   (( segid "    " and resid 58   and name HD2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      3.201 ppm2      6.426 CV     1
 OR { 1878}
   (( segid "    " and resid 58   and name HD3 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI { 1879}
   (  segid "    " and resid 47   and name HD2%)
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      0.621 ppm2      6.232 CV     1
 OR { 1879}
   (  segid "    " and resid 47   and name HD1%)
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1880}
   (  segid "    " and resid 55   and name HD2%)
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.37774E-02 ppm1      0.943 ppm2      6.232 CV     1
 OR { 1880}
   (  segid "    " and resid 55   and name HD1%)
   (  segid "    " and resid 48   and name HD% )
 ASSI { 1883}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HD% )
      2.300     0.700     0.700 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.43115E-02 ppm1      2.374 ppm2      6.479 CV     1
 ASSI { 1885}
   (( segid "    " and resid 52   and name HA1 ))
   (  segid "    " and resid 49   and name HD% )
      2.400     2.400     3.600 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      4.085 ppm2      6.717 CV     1
 ASSI { 1886}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.300     2.300     3.700 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.43406E-02 ppm1      6.579 ppm2      8.516 CV     1
 ASSI { 1887}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 50   and name HN  ))
      2.300     2.300     3.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.37774E-02 ppm1      6.913 ppm2      8.437 CV     1
 ASSI { 1891}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      0.893 ppm2      7.847 CV     1
 OR { 1891}
   (  segid "    " and resid 51   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1892}
   (( segid "    " and resid 61   and name HG  ))
   (  segid "    " and resid 89   and name HD% )
      2.300     2.300     3.700 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      0.729 ppm2      7.261 CV     1
 ASSI { 1900}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     2.400     3.600 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      2.535 ppm2      8.185 CV     1
 ASSI { 1901}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.300     2.300     3.700 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      2.675 ppm2      8.185 CV     1
 ASSI { 1902}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      4.719 ppm2      8.176 CV     1
 ASSI { 1903}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 26   and name HZ2 ))
      2.400     0.700     0.700 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.33987E-02 ppm1      2.082 ppm2      7.048 CV     1
 ASSI { 1904}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 26   and name HZ2 ))
      2.300     2.300     3.700 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.44669E-02 ppm1      2.160 ppm2      7.048 CV     1
 ASSI { 1905}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 26   and name HZ2 ))
      2.300     2.300     3.700 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.40105E-02 ppm1      2.304 ppm2      7.050 CV     1
 ASSI { 1906}
   (( segid "    " and resid 25   and name HB3 ))
   (  segid "    " and resid 20   and name HZ% )
      2.400     2.400     3.600 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      2.530 ppm2      6.933 CV     1
 ASSI { 1907}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HD1 ))
      2.300     2.300     3.700 peak  1907 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      2.635 ppm2      6.912 CV     1
 ASSI { 1909}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HZ2 ))
      2.500     2.500     3.500 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      1.726 ppm2      7.049 CV     1
 ASSI { 1910}
   (( segid "    " and resid 99   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
      2.500     2.500     3.500 peak  1910 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      1.453 ppm2      7.038 CV     1
 ASSI { 1911}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      1.378 ppm2      7.038 CV     1
 ASSI { 1912}
   (( segid "    " and resid 16   and name HG2 ))
   (  segid "    " and resid 17   and name HD% )
      2.300     2.300     3.700 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      0.659 ppm2      7.033 CV     1
 OR { 1912}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 1919}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.500     2.500     3.500 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      3.502 ppm2      7.203 CV     1
 ASSI { 1921}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
      2.400     2.400     3.600 peak  1921 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      3.418 ppm2      7.228 CV     1
 ASSI { 1929}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      2.400     0.700     0.700 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.28743E-02 ppm1      4.728 ppm2      2.429 CV     1
 ASSI { 1930}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  1930 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      4.728 ppm2      2.510 CV     1
 ASSI { 1931}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak  1931 spectrum    1 weight  0.10000E+01 volume  0.32822E-02 ppm1      3.419 ppm2      8.288 CV     1
 ASSI { 1932}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     2.300     3.700 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.41561E-02 ppm1      3.013 ppm2      8.029 CV     1
 ASSI { 1935}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HG2%)
      2.300     2.300     3.700 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      2.387 ppm2      0.884 CV     1
 OR { 1935}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 5    and name HG2%)
 ASSI { 1936}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.500     2.500     3.500 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      4.651 ppm2      6.230 CV     1
 ASSI { 1937}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.500     0.800     0.800 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.712 ppm2      6.229 CV     1
 ASSI { 1938}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 26   and name HZ3 ))
      2.500     2.500     3.500 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      4.556 ppm2      6.914 CV     1
 ASSI { 1939}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 49   and name HD% )
      2.500     0.800     0.800 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      5.051 ppm2      6.902 CV     1
 ASSI { 1941}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.41173E-02 ppm1      4.943 ppm2      6.229 CV     1
 ASSI { 1942}
   (( segid "    " and resid 20   and name HG3 ))
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      1.016 ppm2      7.165 CV     1
 ASSI { 1944}
   (( segid "    " and resid 4    and name HB2 ))
   (  segid "    " and resid 25   and name HD% )
      2.300     2.300     3.700 peak  1944 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      1.224 ppm2      7.162 CV     1
 ASSI { 1946}
   (( segid "    " and resid 4    and name HG  ))
   (  segid "    " and resid 25   and name HD% )
      2.200     2.200     3.800 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.55642E-02 ppm1      1.090 ppm2      6.778 CV     1
 ASSI { 1951}
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 105  and name HD% )
      2.400     2.400     3.600 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.32045E-02 ppm1      2.634 ppm2      7.198 CV     1
 ASSI { 1952}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 105  and name HD% )
      2.400     0.700     0.700 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      2.828 ppm2      7.197 CV     1
 OR { 1952}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 105  and name HD% )
 ASSI { 1953}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      6.929 ppm2      8.697 CV     1
 ASSI { 1954}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 49   and name HN  ))
      2.300     0.600     0.600 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.44086E-02 ppm1      6.917 ppm2      8.831 CV     1
 ASSI { 1958}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 60   and name HE% )
      2.300     0.700     0.700 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.36221E-02 ppm1      2.922 ppm2      6.573 CV     1
 OR { 1958}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 60   and name HE% )
 ASSI { 1960}
   (( segid "    " and resid 54   and name HE3 ))
   (( segid "    " and resid 26   and name HH2 ))
      2.400     2.400     3.600 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      2.965 ppm2      7.102 CV     1
 ASSI { 1961}
   (( segid "    " and resid 57   and name HG3 ))
   (  segid "    " and resid 60   and name HD% )
      2.300     2.300     3.700 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.37289E-02 ppm1      1.426 ppm2      6.423 CV     1
 ASSI { 1963}
   (( segid "    " and resid 57   and name HG3 ))
   (  segid "    " and resid 48   and name HD% )
      2.400     2.400     3.600 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      1.428 ppm2      6.484 CV     1
 ASSI { 1968}
   (( segid "    " and resid 57   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
      2.300     2.300     3.700 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.36415E-02 ppm1      1.990 ppm2      6.576 CV     1
 ASSI { 1971}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.30491E-02 ppm1      1.878 ppm2      6.576 CV     1
 ASSI { 1972}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 48   and name HD% )
      2.500     0.800     0.800 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      1.993 ppm2      6.229 CV     1
 ASSI { 1975}
   (( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     2.400     3.600 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      1.890 ppm2      9.350 CV     1
 ASSI { 1977}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
      2.400     2.400     3.600 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      0.630 ppm2      9.344 CV     1
 OR { 1977}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1978}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 101  and name HN  ))
      2.500     0.800     0.800 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      0.884 ppm2      8.011 CV     1
 ASSI { 1984}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 105  and name HE% )
      2.400     2.400     3.600 peak  1984 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      2.830 ppm2      7.341 CV     1
 OR { 1984}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 105  and name HE% )
 ASSI { 1985}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.300     2.300     3.700 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      4.261 ppm2      7.571 CV     1
 ASSI { 1986}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.300     2.300     3.700 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.37192E-02 ppm1      4.690 ppm2      7.568 CV     1
 ASSI { 1989}
   (( segid "    " and resid 87   and name HA1 ))
   (  segid "    " and resid 89   and name HE% )
      2.300     0.700     0.700 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      3.958 ppm2      7.259 CV     1
 OR { 1989}
   (( segid "    " and resid 87   and name HA2 ))
   (  segid "    " and resid 89   and name HE% )
 ASSI { 1990}
   (( segid "    " and resid 87   and name HA1 ))
   (  segid "    " and resid 89   and name HD% )
      2.300     2.300     3.700 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.44960E-02 ppm1      3.971 ppm2      7.283 CV     1
 OR { 1990}
   (( segid "    " and resid 87   and name HA2 ))
   (  segid "    " and resid 89   and name HD% )
 ASSI { 1994}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 99   and name HE  ))
      2.300     2.300     3.700 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.39619E-02 ppm1      2.769 ppm2      7.363 CV     1
 ASSI { 1996}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     2.300     3.700 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.37289E-02 ppm1      2.357 ppm2      7.438 CV     1
 ASSI { 1998}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 48   and name HD% )
      2.400     0.700     0.700 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.30006E-02 ppm1      1.941 ppm2      6.482 CV     1
 ASSI { 2000}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB3 ))
      2.500     2.500     3.500 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      4.203 ppm2      3.405 CV     1
 ASSI { 2002}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.300     2.300     3.700 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.36997E-02 ppm1      3.555 ppm2      7.951 CV     1
 ASSI { 2004}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     2.400     3.600 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      5.350 ppm2      8.233 CV     1
 ASSI { 2005}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.300     0.700     0.700 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      1.142 ppm2      8.234 CV     1
 ASSI { 2006}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 97   and name HN  ))
      2.400     2.400     3.600 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      1.220 ppm2      8.241 CV     1
 ASSI { 2007}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 35   and name HD2%)
      2.400     0.700     0.700 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      2.553 ppm2      0.972 CV     1
 ASSI { 2009}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 63   and name HD1%)
      2.400     2.400     3.600 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      2.542 ppm2      0.828 CV     1
 OR { 2009}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 2012}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 35   and name HD2%)
      2.400     0.700     0.700 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.30588E-02 ppm1      3.107 ppm2      0.861 CV     1
 ASSI { 2013}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 63   and name HD1%)
      2.200     2.200     3.800 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.59623E-02 ppm1      3.104 ppm2      0.776 CV     1
 OR { 2013}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 2015}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 95   and name HH11))
      2.300     2.300     3.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.39037E-02 ppm1      3.015 ppm2      6.822 CV     1
 ASSI { 2022}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.200     2.200     3.800 peak  2022 spectrum    1 weight  0.10000E+01 volume  0.49330E-02 ppm1      2.820 ppm2      8.489 CV     1
 ASSI { 2023}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.500     0.800     0.800 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      4.588 ppm2      8.013 CV     1
 ASSI { 2024}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     2.400     3.600 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.32725E-02 ppm1      4.359 ppm2      8.026 CV     1
 ASSI { 2025}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.800     0.800 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      4.643 ppm2      8.032 CV     1
 ASSI { 2027}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  2027 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      2.931 ppm2      6.420 CV     1
 OR { 2027}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI { 2032}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
      2.300     2.300     3.700 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      0.623 ppm2      5.745 CV     1
 OR { 2032}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2037}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.200     2.200     3.800 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.54379E-02 ppm1      5.125 ppm2      0.188 CV     1
 ASSI { 2038}
   (( segid "    " and resid 25   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      2.300     2.300     3.700 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.44863E-02 ppm1      5.802 ppm2      0.180 CV     1
 ASSI { 2039}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 13   and name HD1%)
      6.000     4.500     0.000 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.872 ppm2      0.178 CV     1
 ASSI { 2040}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.500     2.500     3.500 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.26898E-02 ppm1      5.056 ppm2      0.621 CV     1
 OR { 2040}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2041}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 13   and name HG13))
      2.300     2.300     3.700 peak  2041 spectrum    1 weight  0.10000E+01 volume  0.46514E-02 ppm1      2.295 ppm2     -0.584 CV     1
 ASSI { 2042}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     0.700     0.700 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      2.922 ppm2      0.617 CV     1
 OR { 2042}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2043}
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 22   and name HD1%)
      2.300     2.300     3.700 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      2.344 ppm2      0.596 CV     1
 ASSI { 2044}
   (( segid "    " and resid 49   and name HB3 ))
   (  segid "    " and resid 22   and name HD1%)
      2.300     2.300     3.700 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.39231E-02 ppm1      2.925 ppm2      0.596 CV     1
 ASSI { 2048}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 21   and name HB% )
      2.500     0.800     0.800 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      4.516 ppm2      1.142 CV     1
 ASSI { 2050}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.400     2.400     3.600 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      3.998 ppm2      3.509 CV     1
 OR { 2050}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
 OR { 2050}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI { 2054}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.200     2.200     3.800 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.49524E-02 ppm1      4.203 ppm2      3.499 CV     1
 ASSI { 2055}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      6.430 ppm2      8.232 CV     1
 ASSI { 2058}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     0.800     0.800 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.232 ppm2      8.032 CV     1
 ASSI { 2059}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 94   and name HA  ))
      2.400     2.400     3.600 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.29520E-02 ppm1      4.702 ppm2      4.038 CV     1
 ASSI { 2063}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 39   and name HE  ))
      2.400     2.400     3.600 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      4.519 ppm2      7.351 CV     1
 ASSI { 2065}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      2.079 ppm2      8.680 CV     1
 ASSI { 2066}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
      2.400     0.700     0.700 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.249 ppm2      8.115 CV     1
 ASSI { 2067}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HD2 ))
      2.300     2.300     3.700 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.36318E-02 ppm1      4.432 ppm2      2.932 CV     1
 OR { 2067}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HD3 ))
 ASSI { 2071}
   (( segid "    " and resid 90   and name HA2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.500     0.800     0.800 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      4.065 ppm2      8.327 CV     1
 OR { 2071}
   (( segid "    " and resid 90   and name HA1 ))
   (( segid "    " and resid 91   and name HN  ))
 ASSI { 2073}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HZ  ))
      2.400     2.400     3.600 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      4.273 ppm2      8.516 CV     1
 ASSI { 2074}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.400     2.400     3.600 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      4.382 ppm2      8.467 CV     1
 ASSI { 2075}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     2.400     3.600 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      4.676 ppm2      7.822 CV     1
 ASSI { 2076}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.33502E-02 ppm1      7.690 ppm2      8.229 CV     1
 ASSI { 2077}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     0.700     0.700 peak  2077 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      7.853 ppm2      7.996 CV     1
 ASSI { 2078}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 109  and name HN  ))
      2.400     2.400     3.600 peak  2078 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      8.018 ppm2      8.175 CV     1
 OR { 2078}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
 OR { 2078}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2079}
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      2.400     0.700     0.700 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      8.001 ppm2      8.444 CV     1
 ASSI { 2083}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 5    and name HG2%)
      2.400     2.400     3.600 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      2.300 ppm2      0.886 CV     1
 OR { 2083}
   (( segid "    " and resid 11   and name HG3 ))
   (  segid "    " and resid 5    and name HG2%)
 OR { 2083}
   (( segid "    " and resid 81   and name HG2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2083}
   (( segid "    " and resid 81   and name HG3 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2083}
   (( segid "    " and resid 81   and name HG2 ))
   (  segid "    " and resid 78   and name HG1%)
 OR { 2083}
   (( segid "    " and resid 114  and name HB2 ))
   (  segid "    " and resid 111  and name HG2%)
 ASSI { 2084}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 22   and name HG13))
      2.400     0.700     0.700 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      1.725 ppm2      1.143 CV     1
 ASSI { 2085}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      2.500     0.800     0.800 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      1.217 ppm2      8.845 CV     1
 ASSI { 2086}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     2.400     3.600 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      1.158 ppm2      8.902 CV     1
 ASSI { 2087}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     2.300     3.700 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.45252E-02 ppm1      1.331 ppm2      8.893 CV     1
 OR { 2087}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
 OR { 2087}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
 OR { 2087}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
 OR { 2087}
   (( segid "    " and resid 47   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2088}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 26   and name HH2 ))
      2.400     2.400     3.600 peak  2088 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      1.728 ppm2      7.102 CV     1
 OR { 2088}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 26   and name HH2 ))
 OR { 2088}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 26   and name HH2 ))
 ASSI { 2094}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      2.400     2.400     3.600 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      4.294 ppm2      1.089 CV     1
 ASSI { 2095}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     2.400     3.600 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.35055E-02 ppm1      3.643 ppm2      0.991 CV     1
 OR { 2095}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HB3 ))
 ASSI { 2096}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      2.500     2.500     3.500 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      4.664 ppm2      0.833 CV     1
 OR { 2096}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 63   and name HD2%)
 ASSI { 2097}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HD3 ))
      2.300     2.300     3.700 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.41076E-02 ppm1      4.665 ppm2      0.888 CV     1
 OR { 2097}
   (( segid "    " and resid 112  and name HA  ))
   (  segid "    " and resid 111  and name HG2%)
 ASSI { 2098}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HG1%)
      2.400     2.400     3.600 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      4.640 ppm2      0.913 CV     1
 OR { 2098}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 76   and name HG2%)
 ASSI { 2099}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     2.500     3.500 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.25151E-02 ppm1      4.925 ppm2      0.753 CV     1
 OR { 2099}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 2101}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 19   and name HD2%)
      2.600     0.800     0.800 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      3.992 ppm2      0.990 CV     1
 ASSI { 2102}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 55   and name HD1%)
      2.500     0.800     0.800 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      4.006 ppm2      0.933 CV     1
 ASSI { 2104}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.400     2.400     3.600 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      3.184 ppm2      0.715 CV     1
 ASSI { 2111}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      2.400     0.700     0.700 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.33405E-02 ppm1      4.943 ppm2      2.571 CV     1
 OR { 2111}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2112}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      2.400     2.400     3.600 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.35444E-02 ppm1      4.943 ppm2      2.128 CV     1
 ASSI { 2114}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG3 ))
      2.300     2.300     3.700 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.38551E-02 ppm1      5.125 ppm2      2.573 CV     1
 OR { 2114}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HG2 ))
 ASSI { 2115}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      2.300     2.300     3.700 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.37871E-02 ppm1      5.133 ppm2      2.215 CV     1
 ASSI { 2119}
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      2.400     0.700     0.700 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      4.719 ppm2      7.285 CV     1
 ASSI { 2121}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.24568E-02 ppm1      7.627 ppm2      7.841 CV     1
 ASSI { 2122}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      2.500     2.500     3.500 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      7.046 ppm2      7.874 CV     1
 ASSI { 2140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      2.500     0.800     0.800 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      4.183 ppm2      1.818 CV     1
 OR { 2140}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2141}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      2.400     0.700     0.700 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      4.183 ppm2      1.702 CV     1
 ASSI { 2143}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 102  and name HD22))
      2.300     2.300     3.700 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.41950E-02 ppm1      4.428 ppm2      6.596 CV     1
 ASSI { 2144}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 102  and name HD22))
      2.300     2.300     3.700 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1      0.487 ppm2      6.603 CV     1
 ASSI { 2147}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD2%)
      2.400     0.700     0.700 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      4.064 ppm2      0.395 CV     1
 ASSI { 2152}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HG  ))
      2.400     0.700     0.700 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      4.064 ppm2      1.558 CV     1
 ASSI { 2153}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      1.570 ppm2      8.234 CV     1
 ASSI { 2156}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      2.300     2.300     3.700 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.45834E-02 ppm1      1.574 ppm2     -1.002 CV     1
 ASSI { 2157}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 31   and name HD1%)
      2.400     2.400     3.600 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.33890E-02 ppm1      1.461 ppm2     -1.002 CV     1
 OR { 2157}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2158}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 31   and name HD1%)
      2.200     2.200     3.800 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.54768E-02 ppm1      1.735 ppm2     -1.004 CV     1
 OR { 2158}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2159}
   (( segid "    " and resid 39   and name HD2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.300     2.300     3.700 peak  2159 spectrum    1 weight  0.10000E+01 volume  0.39328E-02 ppm1      3.211 ppm2      0.758 CV     1
 OR { 2159}
   (( segid "    " and resid 36   and name HB3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR { 2159}
   (( segid "    " and resid 58   and name HD3 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 2164}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.400     2.400     3.600 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.32531E-02 ppm1      7.871 ppm2      8.033 CV     1
 ASSI { 2169}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 18   and name HZ  ))
      2.300     2.300     3.700 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.39522E-02 ppm1      1.228 ppm2      7.432 CV     1
 OR { 2169}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 18   and name HZ  ))
 ASSI { 2172}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      3.752 ppm2      3.514 CV     1
 ASSI { 2173}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG3 ))
      2.400     0.700     0.700 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      4.454 ppm2      1.330 CV     1
 ASSI { 2174}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 94   and name HB3 ))
      2.500     2.500     3.500 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.682 ppm2      1.800 CV     1
 OR { 2174}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 2174}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
 OR { 2174}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 94   and name HB3 ))
 ASSI { 2176}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     2.400     3.600 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.35250E-02 ppm1      4.727 ppm2      7.873 CV     1
 ASSI { 2178}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     2.500     3.500 peak  2178 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      3.427 ppm2      0.751 CV     1
 OR { 2178}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 2179}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 65   and name HA2 ))
      2.600     0.900     0.900 peak  2179 spectrum    1 weight  0.10000E+01 volume  0.19130E-02 ppm1      3.461 ppm2      3.167 CV     1
 ASSI { 2180}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 95   and name HD3 ))
      2.600     0.800     0.800 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.19907E-02 ppm1      3.449 ppm2      3.009 CV     1
 ASSI { 2185}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 96   and name HN  ))
      2.300     2.300     3.700 peak  2185 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      3.020 ppm2      8.347 CV     1
 ASSI { 2186}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     2.400     3.600 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      1.834 ppm2      8.893 CV     1
 OR { 2186}
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
 ASSI { 2191}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 20   and name HZ% )
      2.300     2.300     3.700 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      1.326 ppm2      6.913 CV     1
 ASSI { 2192}
   (( segid "    " and resid 54   and name HB3 ))
   (  segid "    " and resid 49   and name HD% )
      2.400     2.400     3.600 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      1.352 ppm2      6.901 CV     1
 ASSI { 2195}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.40493E-02 ppm1      4.503 ppm2      9.302 CV     1
 ASSI { 2198}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 60   and name HE% )
      2.400     2.400     3.600 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      3.174 ppm2      6.575 CV     1
 OR { 2198}
   (( segid "    " and resid 57   and name HD3 ))
   (  segid "    " and resid 60   and name HE% )
 ASSI { 2199}
   (( segid "    " and resid 57   and name HD3 ))
   (  segid "    " and resid 48   and name HE% )
      2.400     2.400     3.600 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      3.167 ppm2      6.480 CV     1
 OR { 2199}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 48   and name HE% )
 ASSI { 2200}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     0.700     0.700 peak  2200 spectrum    1 weight  0.10000E+01 volume  0.35638E-02 ppm1      3.169 ppm2      6.426 CV     1
 OR { 2200}
   (( segid "    " and resid 57   and name HD3 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI { 2201}
   (( segid "    " and resid 57   and name HD3 ))
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.37677E-02 ppm1      3.169 ppm2      6.229 CV     1
 OR { 2201}
   (( segid "    " and resid 57   and name HD2 ))
   (  segid "    " and resid 48   and name HD% )
 ASSI { 2202}
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 105  and name HD% )
      2.400     2.400     3.600 peak  2202 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      4.511 ppm2      7.197 CV     1
 ASSI { 2203}
   (( segid "    " and resid 106  and name HB3 ))
   (  segid "    " and resid 105  and name HD% )
      2.200     2.200     3.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.57778E-02 ppm1      2.545 ppm2      7.197 CV     1
 ASSI { 2207}
   (  segid "    " and resid 20   and name HZ% )
   (  segid "    " and resid 25   and name HD% )
      2.500     0.800     0.800 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.24277E-02 ppm1      6.929 ppm2      7.163 CV     1
 ASSI { 2209}
   (( segid "    " and resid 100  and name HG  ))
   (  segid "    " and resid 18   and name HD% )
      2.300     2.300     3.700 peak  2209 spectrum    1 weight  0.10000E+01 volume  0.37969E-02 ppm1      1.311 ppm2      6.778 CV     1
 ASSI { 2214}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 13   and name HG2%)
      2.300     2.300     3.700 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.44475E-02 ppm1      5.123 ppm2      0.482 CV     1
 ASSI { 2217}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HD1 ))
      2.400     2.400     3.600 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.29423E-02 ppm1      5.796 ppm2      6.914 CV     1
 ASSI { 2219}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      2.300     2.300     3.700 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.44960E-02 ppm1      0.946 ppm2      7.616 CV     1
 ASSI { 2223}
   (( segid "    " and resid 65   and name HA1 ))
   (  segid "    " and resid 60   and name HD% )
      2.300     2.300     3.700 peak  2223 spectrum    1 weight  0.10000E+01 volume  0.40008E-02 ppm1      3.458 ppm2      6.570 CV     1
 ASSI { 2227}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 57   and name HE  ))
      2.400     2.400     3.600 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      0.822 ppm2      7.441 CV     1
 OR { 2227}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 57   and name HE  ))
 ASSI { 2228}
   (( segid "    " and resid 99   and name HD2 ))
   (  segid "    " and resid 17   and name HD% )
      2.400     2.400     3.600 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      2.954 ppm2      7.037 CV     1
 OR { 2228}
   (( segid "    " and resid 99   and name HD3 ))
   (  segid "    " and resid 17   and name HD% )
 ASSI { 2230}
   (( segid "    " and resid 102  and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.500     2.500     3.500 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      2.825 ppm2      6.784 CV     1
 ASSI { 2233}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 42   and name HN  ))
      2.300     2.300     3.700 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.38648E-02 ppm1      0.917 ppm2      7.289 CV     1
 OR { 2233}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 42   and name HN  ))
 ASSI { 2234}
   (  segid "    " and resid 84   and name HD1%)
   (  segid "    " and resid 89   and name HD% )
      2.300     2.300     3.700 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.39134E-02 ppm1      0.917 ppm2      7.260 CV     1
 OR { 2234}
   (  segid "    " and resid 84   and name HD2%)
   (  segid "    " and resid 89   and name HD% )
 ASSI { 2235}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 27   and name HE1 ))
      2.500     0.800     0.800 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      2.304 ppm2      7.228 CV     1
 ASSI { 2236}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 27   and name HE1 ))
      2.500     2.500     3.500 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      2.454 ppm2      7.228 CV     1
 ASSI { 2237}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HE1 ))
      2.500     2.500     3.500 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      2.516 ppm2      7.228 CV     1
 ASSI { 2238}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 27   and name HE1 ))
      2.300     2.300     3.700 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.37580E-02 ppm1      0.882 ppm2      7.231 CV     1
 ASSI { 2239}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HE  ))
      2.300     2.300     3.700 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.42921E-02 ppm1      0.840 ppm2      7.234 CV     1
 OR { 2239}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 62   and name HE  ))
 ASSI { 2242}
   (  segid "    " and resid 61   and name HD2%)
   (  segid "    " and resid 89   and name HD% )
      2.300     2.300     3.700 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.38163E-02 ppm1      0.835 ppm2      7.288 CV     1
 OR { 2242}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 89   and name HD% )
 ASSI { 2244}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     2.300     3.700 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.38842E-02 ppm1      3.416 ppm2      8.183 CV     1
 ASSI { 2245}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 89   and name HD% )
      2.300     2.300     3.700 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.45737E-02 ppm1      4.303 ppm2      7.255 CV     1
 ASSI { 2246}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      2.400     2.400     3.600 peak  2246 spectrum    1 weight  0.10000E+01 volume  0.35929E-02 ppm1      2.757 ppm2      8.511 CV     1
 ASSI { 2249}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     0.800     0.800 peak  2249 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      1.848 ppm2      6.906 CV     1
 ASSI { 2250}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.500     0.000 peak  2250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.600 ppm2      6.908 CV     1
 ASSI { 2251}
   (( segid "    " and resid 100  and name HB2 ))
   (  segid "    " and resid 20   and name HZ% )
      2.300     2.300     3.700 peak  2251 spectrum    1 weight  0.10000E+01 volume  0.36803E-02 ppm1      0.992 ppm2      6.929 CV     1
 ASSI { 2253}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      1.968 ppm2      8.857 CV     1
 ASSI { 2254}
   (( segid "    " and resid 27   and name HE1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     2.300     3.700 peak  2254 spectrum    1 weight  0.10000E+01 volume  0.45446E-02 ppm1      7.227 ppm2      7.843 CV     1
 ASSI { 2255}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak  2255 spectrum    1 weight  0.10000E+01 volume  0.30394E-02 ppm1      3.518 ppm2      7.650 CV     1
 ASSI { 2256}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      5.787 ppm2      9.132 CV     1
 ASSI { 2257}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 52   and name HN  ))
      2.300     2.300     3.700 peak  2257 spectrum    1 weight  0.10000E+01 volume  0.41076E-02 ppm1      6.728 ppm2      7.844 CV     1
 ASSI { 2261}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.600     0.800     0.800 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      5.021 ppm2      3.362 CV     1
 ASSI { 2262}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB3 ))
      2.600     0.800     0.800 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.21072E-02 ppm1      5.021 ppm2      3.103 CV     1
 ASSI { 2264}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      2.400     0.700     0.700 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      4.730 ppm2      4.227 CV     1
 ASSI { 2266}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      2.400     2.400     3.600 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      4.741 ppm2      3.641 CV     1
 ASSI { 2267}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.400     0.700     0.700 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      4.734 ppm2      0.880 CV     1
 ASSI { 2270}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      2.400     0.700     0.700 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.33307E-02 ppm1      4.921 ppm2      2.791 CV     1
 ASSI { 2272}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 60   and name HE% )
      2.400     2.400     3.600 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.647 ppm2      6.575 CV     1
 ASSI { 2273}
   (( segid "    " and resid 57   and name HG2 ))
   (  segid "    " and resid 60   and name HD% )
      2.500     2.500     3.500 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.26607E-02 ppm1      1.640 ppm2      6.423 CV     1
 OR { 2273}
   (( segid "    " and resid 50   and name HG2 ))
   (  segid "    " and resid 60   and name HD% )
 ASSI { 2274}
   (( segid "    " and resid 50   and name HB3 ))
   (  segid "    " and resid 60   and name HD% )
      2.400     2.400     3.600 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      1.670 ppm2      6.576 CV     1
 ASSI { 2276}
   (( segid "    " and resid 101  and name HG3 ))
   (  segid "    " and resid 17   and name HE% )
      2.400     0.700     0.700 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.989 ppm2      6.692 CV     1
 ASSI { 2277}
   (( segid "    " and resid 101  and name HG3 ))
   (  segid "    " and resid 17   and name HD% )
      2.300     2.300     3.700 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.37386E-02 ppm1      1.990 ppm2      7.035 CV     1
 ASSI { 2282}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 57   and name HD3 ))
      2.400     2.400     3.600 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.31074E-02 ppm1      4.675 ppm2      3.181 CV     1
 OR { 2282}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 57   and name HD2 ))
 ASSI { 2283}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      2.500     2.500     3.500 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      4.547 ppm2      1.818 CV     1
 OR { 2283}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
 ASSI { 2284}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 80   and name HN  ))
      6.000     4.500     0.000 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.107 ppm2      8.409 CV     1
 ASSI { 2285}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
      2.400     2.400     3.600 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.34376E-02 ppm1      3.428 ppm2      0.393 CV     1
 OR { 2285}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 2287}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.400     0.700     0.700 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      4.589 ppm2      0.996 CV     1
 ASSI { 2290}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      2.300     0.700     0.700 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.42630E-02 ppm1      3.455 ppm2      6.781 CV     1
 ASSI { 2293}
   (( segid "    " and resid 102  and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      2.200     2.200     3.800 peak  2293 spectrum    1 weight  0.10000E+01 volume  0.50689E-02 ppm1      3.221 ppm2      6.908 CV     1
 ASSI { 2294}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.500     0.800     0.800 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      4.514 ppm2      3.508 CV     1
 ASSI { 2295}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HD3 ))
      2.500     2.500     3.500 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      4.469 ppm2      3.218 CV     1
 OR { 2295}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HD2 ))
 ASSI { 2299}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak  2299 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      3.400 ppm2      2.580 CV     1
 ASSI { 2300}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 54   and name HE3 ))
      2.600     0.800     0.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.20878E-02 ppm1      3.312 ppm2      2.965 CV     1
 ASSI { 2301}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      4.210 ppm2      1.089 CV     1
 ASSI { 2302}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HG  ))
      2.500     0.800     0.800 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      4.668 ppm2      1.576 CV     1
 ASSI { 2306}
   (( segid "    " and resid 60   and name HB2 ))
   (  segid "    " and resid 55   and name HD2%)
      2.400     0.700     0.700 peak  2306 spectrum    1 weight  0.10000E+01 volume  0.28841E-02 ppm1      2.702 ppm2      0.939 CV     1
 ASSI { 2307}
   (( segid "    " and resid 110  and name HA1 ))
   (( segid "    " and resid 111  and name HB  ))
      2.400     2.400     3.600 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      3.970 ppm2      1.847 CV     1
 OR { 2307}
   (( segid "    " and resid 110  and name HA2 ))
   (( segid "    " and resid 111  and name HB  ))
 OR { 2307}
   (( segid "    " and resid 87   and name HA2 ))
   (( segid "    " and resid 88   and name HB3 ))
 OR { 2307}
   (( segid "    " and resid 87   and name HA1 ))
   (( segid "    " and resid 88   and name HB3 ))
 ASSI { 2309}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 81   and name HG2 ))
      2.400     2.400     3.600 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      3.741 ppm2      2.295 CV     1
 OR { 2309}
   (( segid "    " and resid 82   and name HD3 ))
   (( segid "    " and resid 81   and name HG3 ))
 OR { 2309}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 6    and name HB3 ))
 ASSI { 2310}
   (( segid "    " and resid 82   and name HD2 ))
   (( segid "    " and resid 81   and name HG3 ))
      2.400     2.400     3.600 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.32628E-02 ppm1      3.815 ppm2      2.293 CV     1
 ASSI { 2311}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 39   and name HD3 ))
      2.600     0.800     0.800 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.20587E-02 ppm1      3.187 ppm2      2.710 CV     1
 ASSI { 2312}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.500     0.800     0.800 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.24179E-02 ppm1      1.837 ppm2      0.602 CV     1
 ASSI { 2314}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 31   and name HD2%)
      2.400     2.400     3.600 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.33210E-02 ppm1      1.556 ppm2      0.223 CV     1
 ASSI { 2315}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 47   and name HD1%)
      2.500     2.500     3.500 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      1.557 ppm2      0.619 CV     1
 OR { 2315}
   (( segid "    " and resid 40   and name HG  ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI { 2316}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     2.400     3.600 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      1.977 ppm2      0.623 CV     1
 OR { 2316}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2318}
   (( segid "    " and resid 95   and name HG2 ))
   (  segid "    " and resid 22   and name HG2%)
      2.300     2.300     3.700 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.46320E-02 ppm1      1.981 ppm2      0.495 CV     1
 ASSI { 2319}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.800     0.800 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      0.992 ppm2      0.217 CV     1
 OR { 2319}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 OR { 2319}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2320}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 40   and name HD2%)
      2.500     2.500     3.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.27772E-02 ppm1      0.990 ppm2      0.393 CV     1
 OR { 2320}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 40   and name HD2%)
 OR { 2320}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 40   and name HD2%)
 OR { 2320}
   (( segid "    " and resid 42   and name HB3 ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 2321}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 97   and name HD1%)
      2.400     2.400     3.600 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      0.990 ppm2      0.462 CV     1
 OR { 2321}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 97   and name HD1%)
 ASSI { 2323}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      2.500     2.500     3.500 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.26413E-02 ppm1      1.337 ppm2      0.397 CV     1
 OR { 2323}
   (( segid "    " and resid 47   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 2324}
   (( segid "    " and resid 50   and name HE3 ))
   (  segid "    " and resid 51   and name HD1%)
      2.500     2.500     3.500 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      2.931 ppm2      0.930 CV     1
 OR { 2324}
   (( segid "    " and resid 50   and name HE2 ))
   (  segid "    " and resid 51   and name HD1%)
 ASSI { 2326}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 19   and name HG  ))
      2.400     0.700     0.700 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.34278E-02 ppm1      2.942 ppm2      0.856 CV     1
 ASSI { 2327}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 19   and name HD2%)
      2.500     2.500     3.500 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      2.134 ppm2      0.993 CV     1
 ASSI { 2329}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 55   and name HD1%)
      2.500     2.500     3.500 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      1.945 ppm2      0.982 CV     1
 OR { 2329}
   (( segid "    " and resid 53   and name HB3 ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI { 2330}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 61   and name HD2%)
      2.500     2.500     3.500 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.26510E-02 ppm1      1.950 ppm2      0.825 CV     1
 OR { 2330}
   (( segid "    " and resid 57   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
 OR { 2330}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 61   and name HD1%)
 OR { 2330}
   (( segid "    " and resid 58   and name HB2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI { 2331}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 19   and name HG  ))
      2.400     2.400     3.600 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      2.134 ppm2      0.852 CV     1
 ASSI { 2332}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.400     2.400     3.600 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.33113E-02 ppm1      4.107 ppm2      7.995 CV     1
 ASSI { 2333}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HN  ))
      2.500     0.800     0.800 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      4.132 ppm2      8.234 CV     1
 ASSI { 2334}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.19810E-02 ppm1      4.212 ppm2      8.148 CV     1
 ASSI { 2335}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1      3.974 ppm2      8.167 CV     1
 OR { 2335}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2336}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      2.300     2.300     3.700 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.36512E-02 ppm1      4.833 ppm2      1.310 CV     1
 ASSI { 2337}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      2.500     0.800     0.800 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.27675E-02 ppm1      4.831 ppm2      0.855 CV     1
 ASSI { 2338}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HG3 ))
      2.500     0.800     0.800 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.25830E-02 ppm1      4.833 ppm2      1.455 CV     1
 ASSI { 2341}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HB3 ))
      2.400     2.400     3.600 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      4.460 ppm2      1.446 CV     1
 ASSI { 2342}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
      2.500     2.500     3.500 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.465 ppm2      1.501 CV     1
 ASSI { 2343}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak  2343 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.460 ppm2      1.876 CV     1
 ASSI { 2344}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      2.400     2.400     3.600 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      4.460 ppm2      1.764 CV     1
 OR { 2344}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI { 2345}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      2.500     0.800     0.800 peak  2345 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      4.464 ppm2      1.606 CV     1
 OR { 2345}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2346}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 26   and name HH2 ))
      2.200     2.200     3.800 peak  2346 spectrum    1 weight  0.10000E+01 volume  0.47097E-02 ppm1      4.542 ppm2      7.103 CV     1
 ASSI { 2347}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak  2347 spectrum    1 weight  0.10000E+01 volume  0.27967E-02 ppm1      4.110 ppm2      2.282 CV     1
 ASSI { 2351}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 40   and name HD1%)
      2.500     2.500     3.500 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      0.888 ppm2      0.394 CV     1
 OR { 2351}
   (( segid "    " and resid 31   and name HG  ))
   (  segid "    " and resid 40   and name HD2%)
 ASSI { 2352}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HB3 ))
      2.500     0.800     0.800 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.22723E-02 ppm1      0.888 ppm2      0.328 CV     1
 ASSI { 2353}
   (( segid "    " and resid 4    and name HB3 ))
   (  segid "    " and resid 13   and name HD1%)
      2.400     0.700     0.700 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.31948E-02 ppm1      0.803 ppm2      0.174 CV     1
 ASSI { 2355}
   (( segid "    " and resid 96   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
      2.500     2.500     3.500 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      1.459 ppm2      0.618 CV     1
 OR { 2355}
   (( segid "    " and resid 96   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2356}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB3 ))
      2.500     0.800     0.800 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.23305E-02 ppm1      1.213 ppm2      0.796 CV     1
 ASSI { 2358}
   (  segid "    " and resid 98   and name HG2%)
   (  segid "    " and resid 100  and name HD1%)
      2.500     0.800     0.800 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      1.210 ppm2      0.869 CV     1
 ASSI { 2360}
   (  segid "    " and resid 19   and name HD1%)
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.27287E-02 ppm1      0.995 ppm2      0.698 CV     1
 ASSI { 2361}
   (  segid "    " and resid 19   and name HD2%)
   (  segid "    " and resid 40   and name HD1%)
      2.300     2.300     3.700 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.39716E-02 ppm1      0.995 ppm2      0.746 CV     1
 OR { 2361}
   (( segid "    " and resid 54   and name HD3 ))
   (  segid "    " and resid 40   and name HD1%)
 OR { 2361}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
 ASSI { 2362}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
      2.400     2.400     3.600 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.31462E-02 ppm1      1.846 ppm2      0.459 CV     1
 OR { 2362}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI { 2363}
   (( segid "    " and resid 31   and name HB2 ))
   (  segid "    " and resid 40   and name HD1%)
      2.300     2.300     3.700 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1      1.848 ppm2      0.394 CV     1
 ASSI { 2367}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 47   and name HN  ))
      2.300     2.300     3.700 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.36900E-02 ppm1      0.619 ppm2      8.848 CV     1
 OR { 2367}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 47   and name HN  ))
 ASSI { 2368}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
      2.300     2.300     3.700 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.42338E-02 ppm1      0.616 ppm2      8.820 CV     1
 OR { 2368}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 2371}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name HN  ))
      2.400     2.400     3.600 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      0.733 ppm2      8.234 CV     1
 ASSI { 2373}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 27   and name HN  ))
      2.300     2.300     3.700 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.45154E-02 ppm1      0.477 ppm2      9.168 CV     1
 ASSI { 2376}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.300     2.300     3.700 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.43795E-02 ppm1      0.605 ppm2      7.202 CV     1
 ASSI { 2380}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      2.400     0.700     0.700 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      0.915 ppm2      8.361 CV     1
 OR { 2380}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 2381}
   (  segid "    " and resid 76   and name HG1%)
   (( segid "    " and resid 75   and name HN  ))
      2.400     2.400     3.600 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.29715E-02 ppm1      0.914 ppm2      8.298 CV     1
 OR { 2381}
   (  segid "    " and resid 76   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2382}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     2.400     3.600 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      0.800 ppm2      8.152 CV     1
 ASSI { 2383}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.400     2.400     3.600 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.31657E-02 ppm1      1.219 ppm2      8.147 CV     1
 ASSI { 2384}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      1.385 ppm2      8.174 CV     1
 ASSI { 2385}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.27190E-02 ppm1      0.814 ppm2      8.307 CV     1
 OR { 2385}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 2387}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
      2.300     2.300     3.700 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      0.867 ppm2      8.894 CV     1
 ASSI { 2388}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 59   and name HN  ))
      2.300     2.300     3.700 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.40105E-02 ppm1      0.974 ppm2      8.872 CV     1
 ASSI { 2390}
   (  segid "    " and resid 79   and name HG2%)
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.800     0.800 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      0.924 ppm2      8.235 CV     1
 ASSI { 2391}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.24374E-02 ppm1      0.839 ppm2      8.233 CV     1
 OR { 2391}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 2394}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.42727E-02 ppm1      1.153 ppm2      9.320 CV     1
 ASSI { 2398}
   (( segid "    " and resid 61   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     2.600     3.400 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.20587E-02 ppm1      1.811 ppm2      8.841 CV     1
 OR { 2398}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2402}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.200     2.200     3.800 peak  2402 spectrum    1 weight  0.10000E+01 volume  0.51272E-02 ppm1      2.278 ppm2      9.162 CV     1
 ASSI { 2403}
   (( segid "    " and resid 53   and name HG3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     2.500     3.500 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      1.663 ppm2      8.816 CV     1
 ASSI { 2404}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 71   and name HN  ))
      2.400     0.700     0.700 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      2.093 ppm2      8.520 CV     1
 ASSI { 2405}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 86   and name HN  ))
      2.300     2.300     3.700 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.41853E-02 ppm1      2.005 ppm2      8.473 CV     1
 ASSI { 2412}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     2.300     3.700 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.38940E-02 ppm1      3.102 ppm2      8.746 CV     1
 ASSI { 2414}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.400     2.400     3.600 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      3.170 ppm2      7.484 CV     1
 ASSI { 2415}
   (( segid "    " and resid 62   and name HD3 ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     2.300     3.700 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.37871E-02 ppm1      3.203 ppm2      7.652 CV     1
 OR { 2415}
   (( segid "    " and resid 62   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
 OR { 2415}
   (( segid "    " and resid 39   and name HD2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2419}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 62   and name HE  ))
      2.200     2.200     3.800 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.56807E-02 ppm1      3.949 ppm2      7.232 CV     1
 OR { 2419}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 62   and name HE  ))
 ASSI { 2425}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.600     0.800     0.800 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.21363E-02 ppm1      4.507 ppm2      8.433 CV     1
 ASSI { 2426}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.22820E-02 ppm1      4.382 ppm2      8.367 CV     1
 ASSI { 2429}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      4.112 ppm2      8.287 CV     1
 ASSI { 2431}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.27481E-02 ppm1      4.323 ppm2      8.257 CV     1
 ASSI { 2432}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     2.500     3.500 peak  2432 spectrum    1 weight  0.10000E+01 volume  0.23791E-02 ppm1      4.205 ppm2      8.254 CV     1
 OR { 2432}
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 113  and name HN  ))
 ASSI { 2435}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.300     2.300     3.700 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.37095E-02 ppm1      5.562 ppm2      9.352 CV     1
 ASSI { 2436}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.800     0.800 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.20295E-02 ppm1      6.912 ppm2      7.643 CV     1
 ASSI { 2437}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.300     2.300     3.700 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.40105E-02 ppm1      7.214 ppm2      7.991 CV     1
 ASSI { 2438}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.500     0.800     0.800 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.22237E-02 ppm1      8.264 ppm2      8.438 CV     1
 OR { 2438}
   (( segid "    " and resid 113  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
 ASSI { 2439}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.600     0.800     0.800 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.20975E-02 ppm1      8.158 ppm2      8.410 CV     1
 ASSI { 2440}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     2.400     3.600 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.31560E-02 ppm1      8.033 ppm2      8.409 CV     1
 ASSI { 2441}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     2.500     3.500 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.26219E-02 ppm1      8.029 ppm2      8.301 CV     1
 ASSI { 2442}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.400     2.400     3.600 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      8.025 ppm2      8.274 CV     1
 ASSI { 2443}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.500     0.800     0.800 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      8.029 ppm2      8.220 CV     1
 ASSI { 2444}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     2.500     3.500 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      8.165 ppm2      8.300 CV     1
 ASSI { 2445}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     2.500     3.500 peak  2445 spectrum    1 weight  0.10000E+01 volume  0.26122E-02 ppm1      8.213 ppm2      8.368 CV     1
 ASSI { 2446}
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.25927E-02 ppm1      8.167 ppm2      8.335 CV     1
 ASSI { 2448}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak  2448 spectrum    1 weight  0.10000E+01 volume  0.31754E-02 ppm1      7.853 ppm2      8.298 CV     1
 ASSI { 2449}
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HN  ))
      2.400     2.400     3.600 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      7.872 ppm2      8.275 CV     1
 ASSI { 2451}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak  2451 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      8.026 ppm2      8.235 CV     1
 ASSI { 2452}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     2.400     3.600 peak  2452 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      8.239 ppm2      8.866 CV     1
 OR { 2452}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 OR { 2452}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2453}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      2.400     0.700     0.700 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.34764E-02 ppm1      8.190 ppm2      8.861 CV     1
 ASSI { 2454}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     2.400     3.600 peak  2454 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      8.608 ppm2      8.876 CV     1
 ASSI { 2455}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.30103E-02 ppm1      8.295 ppm2      8.646 CV     1
 ASSI { 2456}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.300     2.300     3.700 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.43018E-02 ppm1      8.035 ppm2      8.607 CV     1
 ASSI { 2457}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.200     2.200     3.800 peak  2457 spectrum    1 weight  0.10000E+01 volume  0.49233E-02 ppm1      7.568 ppm2      9.001 CV     1
 ASSI { 2460}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.26316E-02 ppm1      8.270 ppm2      8.585 CV     1
 ASSI { 2461}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.400     2.400     3.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      8.384 ppm2      8.587 CV     1
 ASSI { 2463}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     2.400     3.600 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      8.248 ppm2      8.734 CV     1
 OR { 2463}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 2464}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     2.400     3.600 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.33210E-02 ppm1      8.194 ppm2      8.648 CV     1
 ASSI { 2466}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      8.887 ppm2      9.315 CV     1
 ASSI { 2467}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.500     2.500     3.500 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.22140E-02 ppm1      4.672 ppm2      1.977 CV     1
 ASSI { 2469}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.500     0.800     0.800 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.22626E-02 ppm1      4.336 ppm2      1.574 CV     1
 ASSI { 2471}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.400     2.400     3.600 peak  2471 spectrum    1 weight  0.10000E+01 volume  0.28549E-02 ppm1      4.639 ppm2      2.073 CV     1
 ASSI { 2473}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB3 ))
      2.400     2.400     3.600 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.34473E-02 ppm1      4.666 ppm2      2.712 CV     1
 OR { 2473}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB2 ))
 ASSI { 2476}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.400     0.700     0.700 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.36026E-02 ppm1      3.902 ppm2      1.347 CV     1
 ASSI { 2477}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 63   and name HD1%)
      2.400     2.400     3.600 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      4.012 ppm2      0.821 CV     1
 OR { 2477}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 61   and name HD2%)
 OR { 2477}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2478}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 19   and name HG  ))
      2.400     2.400     3.600 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      3.983 ppm2      0.858 CV     1
 ASSI { 2480}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 57   and name HG3 ))
      2.400     2.400     3.600 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      3.907 ppm2      1.408 CV     1
 ASSI { 2483}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 61   and name HG  ))
      2.400     2.400     3.600 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      3.985 ppm2      0.711 CV     1
 OR { 2483}
   (( segid "    " and resid 28   and name HA  ))
   (  segid "    " and resid 97   and name HG2%)
 OR { 2483}
   (( segid "    " and resid 67   and name HA2 ))
   (( segid "    " and resid 61   and name HG  ))
 OR { 2483}
   (( segid "    " and resid 67   and name HA1 ))
   (( segid "    " and resid 61   and name HG  ))
 ASSI { 2485}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD2%)
      2.400     2.400     3.600 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.29035E-02 ppm1      4.331 ppm2      0.816 CV     1
 OR { 2485}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 96   and name HD1%)
 ASSI { 2490}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 46   and name HG3 ))
      2.600     0.800     0.800 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      3.021 ppm2      1.484 CV     1
 OR { 2490}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 46   and name HG3 ))
 OR { 2490}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2491}
   (( segid "    " and resid 65   and name HA2 ))
   (  segid "    " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak  2491 spectrum    1 weight  0.10000E+01 volume  0.26024E-02 ppm1      3.171 ppm2      0.829 CV     1
 OR { 2491}
   (( segid "    " and resid 65   and name HA2 ))
   (  segid "    " and resid 61   and name HD2%)
 ASSI { 2492}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD1%)
      2.500     0.800     0.800 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.23014E-02 ppm1      1.852 ppm2      0.991 CV     1
 OR { 2492}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI { 2493}
   (( segid "    " and resid 50   and name HB2 ))
   (  segid "    " and resid 55   and name HD2%)
      2.400     2.400     3.600 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      1.885 ppm2      0.953 CV     1
 ASSI { 2494}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 100  and name HG  ))
      2.500     0.800     0.800 peak  2494 spectrum    1 weight  0.10000E+01 volume  0.22723E-02 ppm1      1.970 ppm2      1.322 CV     1
 OR { 2494}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 100  and name HG  ))
 ASSI { 2495}
   (( segid "    " and resid 99   and name HG3 ))
   (  segid "    " and resid 19   and name HD2%)
      2.500     2.500     3.500 peak  2495 spectrum    1 weight  0.10000E+01 volume  0.23597E-02 ppm1      1.438 ppm2      0.985 CV     1
 OR { 2495}
   (( segid "    " and resid 99   and name HG2 ))
   (  segid "    " and resid 19   and name HD2%)
 ASSI { 2497}
   (( segid "    " and resid 96   and name HB2 ))
   (  segid "    " and resid 96   and name HD2%)
      2.700     0.900     0.900 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.17382E-02 ppm1      1.588 ppm2      0.819 CV     1
 ASSI { 2498}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 22   and name HG2%)
      2.600     0.800     0.800 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.22043E-02 ppm1      1.717 ppm2      0.510 CV     1
 ASSI { 2500}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 51   and name HD1%)
      2.600     0.800     0.800 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.20781E-02 ppm1      1.675 ppm2      0.930 CV     1
 OR { 2500}
   (( segid "    " and resid 51   and name HB3 ))
   (  segid "    " and resid 51   and name HD2%)
 ASSI { 2501}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD2%)
      2.600     0.800     0.800 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.20489E-02 ppm1      1.797 ppm2      0.931 CV     1
 OR { 2501}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 51   and name HD1%)
 ASSI { 2502}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 79   and name HG1%)
      2.400     2.400     3.600 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      1.904 ppm2      0.934 CV     1
 OR { 2502}
   (( segid "    " and resid 54   and name HG2 ))
   (  segid "    " and resid 55   and name HD2%)
 OR { 2502}
   (( segid "    " and resid 81   and name HB3 ))
   (  segid "    " and resid 79   and name HG2%)
 ASSI { 2503}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 55   and name HD2%)
      2.400     2.400     3.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.28355E-02 ppm1      1.721 ppm2      0.958 CV     1
 OR { 2503}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 55   and name HD1%)
 ASSI { 2508}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 47   and name HD2%)
      2.500     2.500     3.500 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.24956E-02 ppm1      1.718 ppm2      0.463 CV     1
 OR { 2508}
   (( segid "    " and resid 22   and name HG12))
   (  segid "    " and resid 97   and name HD1%)
 ASSI { 2510}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 97   and name HG2%)
      2.500     0.800     0.800 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.23694E-02 ppm1      1.141 ppm2      0.697 CV     1
 ASSI { 2511}
   (( segid "    " and resid 22   and name HG13))
   (  segid "    " and resid 47   and name HD1%)
      2.600     2.600     3.400 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.21752E-02 ppm1      1.135 ppm2      0.626 CV     1
 OR { 2511}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HD1%)
 OR { 2511}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2513}
   (( segid "    " and resid 99   and name HD2 ))
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.25733E-02 ppm1      2.933 ppm2      1.815 CV     1
 OR { 2513}
   (( segid "    " and resid 99   and name HD3 ))
   (( segid "    " and resid 99   and name HB2 ))
 ASSI { 2514}
   (( segid "    " and resid 58   and name HD2 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.600     2.600     3.400 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.21266E-02 ppm1      3.200 ppm2      1.615 CV     1
 OR { 2514}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2515}
   (( segid "    " and resid 57   and name HD2 ))
   (( segid "    " and resid 57   and name HG2 ))
      2.500     0.800     0.800 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.22529E-02 ppm1      3.159 ppm2      1.640 CV     1
 OR { 2515}
   (( segid "    " and resid 57   and name HD3 ))
   (( segid "    " and resid 57   and name HG2 ))
 ASSI { 2516}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.600     2.600     3.400 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.20878E-02 ppm1      2.068 ppm2      1.710 CV     1
 ASSI { 2517}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HB3 ))
      2.600     0.800     0.800 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.19421E-02 ppm1      3.378 ppm2      3.098 CV     1
 ASSI { 2520}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      2.400     0.800     0.800 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.28064E-02 ppm1      4.654 ppm2      2.535 CV     1
 ASSI { 2521}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG3 ))
      2.400     0.700     0.700 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.29909E-02 ppm1      2.721 ppm2      1.802 CV     1
 OR { 2521}
   (( segid "    " and resid 39   and name HD3 ))
   (( segid "    " and resid 39   and name HG2 ))
 ASSI { 2523}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     2.400     3.600 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.30200E-02 ppm1      2.621 ppm2      1.649 CV     1
 ASSI { 2525}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 95   and name HB2 ))
      2.500     2.500     3.500 peak  2525 spectrum    1 weight  0.10000E+01 volume  0.23403E-02 ppm1      3.015 ppm2      1.576 CV     1
 ASSI { 2528}
   (( segid "    " and resid 64   and name HA1 ))
   (  segid "    " and resid 61   and name HD2%)
      2.500     2.500     3.500 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      3.910 ppm2      0.828 CV     1
 OR { 2528}
   (( segid "    " and resid 64   and name HA1 ))
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 2529}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.400     0.700     0.700 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.29812E-02 ppm1      4.659 ppm2      3.106 CV     1
 ASSI { 2530}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 35   and name HB3 ))
      2.300     2.300     3.700 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.39911E-02 ppm1      2.540 ppm2      1.397 CV     1
 ASSI { 2531}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 35   and name HB2 ))
      2.400     2.400     3.600 peak  2531 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      2.541 ppm2      1.637 CV     1
 ASSI { 2532}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      6.000     4.500     0.000 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.106 ppm2      2.384 CV     1
 OR { 2532}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 2533}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     2.400     3.600 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.34861E-02 ppm1      4.451 ppm2      7.843 CV     1
 ASSI { 2534}
   (( segid "    " and resid 13   and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.500     0.000 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.088 ppm2      8.148 CV     1
 ASSI { 2535}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 105  and name HN  ))
      2.300     2.300     3.700 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.41464E-02 ppm1      4.228 ppm2      7.644 CV     1
 ASSI { 2538}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.500     0.800     0.800 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.25442E-02 ppm1      4.502 ppm2      8.582 CV     1
 ASSI { 2539}
   (( segid "    " and resid 86   and name HA1 ))
   (( segid "    " and resid 87   and name HN  ))
      2.300     2.300     3.700 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.39814E-02 ppm1      4.254 ppm2      8.280 CV     1
 ASSI { 2541}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HB3 ))
      6.000     4.500     0.000 peak  2541 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.508 ppm2      3.329 CV     1
 ASSI { 2543}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HB2 ))
      2.300     0.700     0.700 peak  2543 spectrum    1 weight  0.10000E+01 volume  0.41853E-02 ppm1      3.921 ppm2      3.509 CV     1
 ASSI { 2544}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.300     2.300     3.700 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.46028E-02 ppm1      3.405 ppm2      1.557 CV     1
 ASSI { 2545}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HB3 ))
      2.200     2.200     3.800 peak  2545 spectrum    1 weight  0.10000E+01 volume  0.52729E-02 ppm1      3.493 ppm2      1.555 CV     1
 ASSI { 2547}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB3 ))
      2.400     0.700     0.700 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.30880E-02 ppm1      4.189 ppm2      1.556 CV     1
 ASSI { 2548}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.34181E-02 ppm1      3.337 ppm2      9.168 CV     1
 ASSI { 2550}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     2.500     3.500 peak  2550 spectrum    1 weight  0.10000E+01 volume  0.26704E-02 ppm1      3.326 ppm2      7.645 CV     1
 ASSI { 2551}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 26   and name HE3 ))
      2.400     2.400     3.600 peak  2551 spectrum    1 weight  0.10000E+01 volume  0.29326E-02 ppm1      3.327 ppm2      7.205 CV     1
 ASSI { 2552}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 26   and name HH2 ))
      2.400     2.400     3.600 peak  2552 spectrum    1 weight  0.10000E+01 volume  0.33696E-02 ppm1      3.323 ppm2      7.105 CV     1
 ASSI { 2553}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     0.700     0.700 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      3.323 ppm2      6.914 CV     1
 ASSI { 2554}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HB3 ))
      2.400     2.400     3.600 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.35347E-02 ppm1      3.741 ppm2      3.332 CV     1
 ASSI { 2556}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HB3 ))
      2.300     2.300     3.700 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.42144E-02 ppm1      3.319 ppm2      0.601 CV     1
 ASSI { 2557}
   (( segid "    " and resid 54   and name HE2 ))
   (  segid "    " and resid 31   and name HD2%)
      2.300     2.300     3.700 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.38842E-02 ppm1      3.322 ppm2     -1.002 CV     1
 OR { 2557}
   (( segid "    " and resid 54   and name HE2 ))
   (  segid "    " and resid 31   and name HD1%)
 ASSI { 2558}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB3 ))
      2.400     0.700     0.700 peak  2558 spectrum    1 weight  0.10000E+01 volume  0.29617E-02 ppm1      4.514 ppm2      3.333 CV     1
 ASSI { 2559}
   (  segid "    " and resid 43   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak  2559 spectrum    1 weight  0.10000E+01 volume  0.30686E-02 ppm1      0.910 ppm2      8.440 CV     1
 OR { 2559}
   (  segid "    " and resid 43   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
 ASSI { 2560}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.500     0.000 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.931 ppm2      8.426 CV     1
 OR { 2560}
   (  segid "    " and resid 51   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2566}
   (( segid "    " and resid 25   and name HB2 ))
   (  segid "    " and resid 20   and name HZ% )
      2.300     2.300     3.700 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.39619E-02 ppm1      2.810 ppm2      6.930 CV     1
 ASSI { 2567}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 26   and name HD1 ))
      2.500     2.500     3.500 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.26996E-02 ppm1      1.148 ppm2      6.913 CV     1
 ASSI { 2570}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.400     2.400     3.600 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.32725E-02 ppm1      1.971 ppm2      7.438 CV     1
 ASSI { 2572}
   (( segid "    " and resid 91   and name HB3 ))
   (  segid "    " and resid 48   and name HD% )
      2.300     2.300     3.700 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.39814E-02 ppm1      2.773 ppm2      6.480 CV     1
 ASSI { 2576}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 19   and name HB2 ))
      2.400     2.400     3.600 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.32239E-02 ppm1      2.633 ppm2      1.857 CV     1
 ASSI { 2577}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 19   and name HB3 ))
      2.300     2.300     3.700 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.38357E-02 ppm1      3.477 ppm2      1.300 CV     1
 ASSI { 2578}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     0.700     0.700 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      4.648 ppm2      0.459 CV     1
 OR { 2578}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2579}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HD2%)
      2.400     2.400     3.600 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      4.693 ppm2      0.619 CV     1
 OR { 2579}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 47   and name HD1%)
 ASSI { 2581}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 76   and name HB  ))
      2.400     2.400     3.600 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.31268E-02 ppm1      4.507 ppm2      2.075 CV     1
 OR { 2581}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2582}
   (  segid "    " and resid 21   and name HB% )
   (  segid "    " and resid 97   and name HD1%)
      2.400     0.700     0.700 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.28161E-02 ppm1      1.140 ppm2      0.463 CV     1
 OR { 2582}
   (( segid "    " and resid 22   and name HG13))
   (  segid "    " and resid 97   and name HD1%)
 OR { 2582}
   (( segid "    " and resid 22   and name HG13))
   (  segid "    " and resid 47   and name HD2%)
 OR { 2582}
   (( segid "    " and resid 40   and name HB3 ))
   (  segid "    " and resid 47   and name HD2%)
 ASSI { 2588}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      1.796 ppm2      8.735 CV     1
 OR { 2588}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
 ASSI { 2589}
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     2.400     3.600 peak  2589 spectrum    1 weight  0.10000E+01 volume  0.34667E-02 ppm1      1.795 ppm2      8.489 CV     1
 OR { 2589}
   (( segid "    " and resid 94   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 2590}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     4.500     0.000 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.046 ppm2      1.966 CV     1
 ASSI { 2594}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG2%)
      2.400     0.700     0.700 peak  2594 spectrum    1 weight  0.10000E+01 volume  0.28258E-02 ppm1      4.492 ppm2      0.910 CV     1
 OR { 2594}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 43   and name HG1%)
 ASSI { 2595}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HG12))
      2.300     0.700     0.700 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.43018E-02 ppm1      4.513 ppm2      0.419 CV     1
 OR { 2595}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HG13))
 ASSI { 2596}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 31   and name HD1%)
      2.400     2.400     3.600 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.28452E-02 ppm1      1.463 ppm2      0.221 CV     1
 OR { 2596}
   (( segid "    " and resid 97   and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2597}
   (  segid "    " and resid 97   and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.500     0.800     0.800 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.25053E-02 ppm1      0.698 ppm2      0.218 CV     1
 OR { 2597}
   (  segid "    " and resid 97   and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 2599}
   (( segid "    " and resid 20   and name HG2 ))
   (  segid "    " and resid 25   and name HD% )
      2.400     0.700     0.700 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.34958E-02 ppm1      1.244 ppm2      6.778 CV     1
 ASSI { 2602}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 102  and name HD22))
      2.000     2.000     4.000 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.92736E-02 ppm1      3.644 ppm2      6.592 CV     1
 ASSI { 2604}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 95   and name HH12))
      2.400     2.400     3.600 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      3.015 ppm2      6.804 CV     1
 ASSI { 2606}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 26   and name HD1 ))
      6.000     4.500     0.000 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.724 ppm2      6.907 CV     1
 ASSI { 2607}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.500     0.000 peak  2607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.452 ppm2      1.682 CV     1
 ASSI { 2608}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HG2 ))
      6.000     4.500     0.000 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.454 ppm2      1.626 CV     1
 ASSI { 2609}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG3 ))
      6.000     4.500     0.000 peak  2609 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.465 ppm2      1.477 CV     1
 ASSI { 2610}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB3 ))
      2.400     0.700     0.700 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.34570E-02 ppm1      2.965 ppm2      2.613 CV     1
 ASSI { 2611}
   (( segid "    " and resid 54   and name HE2 ))
   (( segid "    " and resid 54   and name HD3 ))
      2.300     0.700     0.700 peak  2611 spectrum    1 weight  0.10000E+01 volume  0.40396E-02 ppm1      3.316 ppm2      0.990 CV     1
 ASSI { 2612}
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 95   and name HE  ))
      6.000     4.500     0.000 peak  2612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.461 ppm2      7.430 CV     1
 ASSI { 2613}
   (( segid "    " and resid 95   and name HD3 ))
   (( segid "    " and resid 95   and name HB3 ))
      2.300     2.300     3.700 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.43115E-02 ppm1      3.014 ppm2      1.326 CV     1
 ASSI { 2614}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD3 ))
      2.300     0.700     0.700 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.36512E-02 ppm1      4.046 ppm2      3.202 CV     1
 OR { 2614}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD2 ))
 ASSI { 2617}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HN  ))
      2.500     2.500     3.500 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.27578E-02 ppm1      4.506 ppm2      8.521 CV     1
 ASSI { 2618}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.300     2.300     3.700 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.46125E-02 ppm1      4.666 ppm2      7.482 CV     1
 ASSI { 2622}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.31171E-02 ppm1      4.491 ppm2      8.262 CV     1

#from 3D data sets
 ASSI {  302}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      3.532 ppm2     10.059 CV     1
 ASSI {  335}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   335 spectrum    1 weight  0.10000E+01 volume  0.26405E-02 ppm1      5.005 ppm2      8.726 CV     1
 ASSI {  347}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      5.134 ppm2      9.139 CV     1
 ASSI {  349}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      4.650 ppm2      9.067 CV     1
 ASSI {  354}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     0.900     0.900 peak   354 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      4.562 ppm2      8.856 CV     1
 ASSI {  359}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.19000E-02 ppm1      4.009 ppm2      8.854 CV     1
 ASSI {  360}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      4.567 ppm2      8.879 CV     1
 ASSI {  361}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.700     0.900     0.900 peak   361 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      4.828 ppm2      8.858 CV     1
 ASSI {  377}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      4.050 ppm2      7.787 CV     1
 ASSI {  380}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      4.291 ppm2      7.932 CV     1
 ASSI {  391}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   391 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      5.801 ppm2      8.433 CV     1
 ASSI {  392}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      2.800     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      4.261 ppm2      8.447 CV     1
 ASSI {  401}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.900     1.000     1.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.13412E-02 ppm1      4.289 ppm2      8.347 CV     1
 ASSI {  430}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      4.229 ppm2      8.151 CV     1
 ASSI {  433}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      4.990 ppm2      8.260 CV     1
 ASSI {  435}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      4.100 ppm2      8.272 CV     1
 ASSI {  449}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.17743E-02 ppm1      3.267 ppm2      7.914 CV     1
 ASSI {  454}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     0.900     0.900 peak   454 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      4.515 ppm2      7.642 CV     1
 ASSI {  456}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.18441E-02 ppm1      4.153 ppm2      7.498 CV     1
 ASSI {  458}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.769 ppm2      7.610 CV     1
 ASSI {  462}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      5.335 ppm2      7.554 CV     1
 ASSI {  467}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      4.760 ppm2      6.541 CV     1
 ASSI {  469}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.18651E-02 ppm1      4.659 ppm2      8.857 CV     1
 ASSI {  474}
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      4.693 ppm2      8.194 CV     1
 ASSI {  589}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak   589 spectrum    1 weight  0.10000E+01 volume  0.32202E-02 ppm1      4.484 ppm2      8.223 CV     1
 ASSI {  594}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      4.501 ppm2      8.381 CV     1
 ASSI {  605}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   605 spectrum    1 weight  0.10000E+01 volume  0.19699E-02 ppm1      5.028 ppm2      7.969 CV     1
 ASSI {  668}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak   668 spectrum    1 weight  0.10000E+01 volume  0.19280E-02 ppm1      4.695 ppm2      8.448 CV     1
 ASSI {  709}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.600     0.800     0.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.26195E-02 ppm1      5.071 ppm2      8.797 CV     1
 ASSI {  752}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   752 spectrum    1 weight  0.10000E+01 volume  0.21724E-02 ppm1      4.584 ppm2      8.817 CV     1
 ASSI {  754}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      3.900 ppm2      7.647 CV     1
 ASSI {  755}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak   755 spectrum    1 weight  0.10000E+01 volume  0.15088E-02 ppm1      3.696 ppm2      7.649 CV     1
 ASSI {  756}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   756 spectrum    1 weight  0.10000E+01 volume  0.21794E-02 ppm1      3.336 ppm2      7.633 CV     1
 ASSI {  784}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   784 spectrum    1 weight  0.10000E+01 volume  0.41423E-02 ppm1      4.301 ppm2      7.160 CV     1
 ASSI {  786}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      2.800     1.000     1.000 peak   786 spectrum    1 weight  0.10000E+01 volume  0.15088E-02 ppm1      4.355 ppm2      7.598 CV     1
 ASSI {  790}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     2.600     3.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.25985E-02 ppm1      3.474 ppm2      7.554 CV     1
 ASSI {  791}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      2.600     2.600     3.400 peak   791 spectrum    1 weight  0.10000E+01 volume  0.25357E-02 ppm1      3.366 ppm2      7.554 CV     1
 ASSI {  794}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   794 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      5.335 ppm2      8.571 CV     1
 ASSI {  795}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   795 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      3.481 ppm2      8.569 CV     1
 ASSI {  796}
   (( segid "    " and resid 32   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      3.369 ppm2      8.573 CV     1
 ASSI {  797}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   797 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      4.173 ppm2      8.571 CV     1
 ASSI {  798}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   798 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      2.999 ppm2      8.574 CV     1
 ASSI {  799}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.800     0.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      1.540 ppm2      8.571 CV     1
 ASSI {  800}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.800     1.000     1.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      4.173 ppm2      9.690 CV     1
 ASSI {  801}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     2.600     3.400 peak   801 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      3.000 ppm2      9.678 CV     1
 ASSI {  802}
   (( segid "    " and resid 33   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     2.600     3.400 peak   802 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      1.559 ppm2      9.690 CV     1
 ASSI {  803}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   803 spectrum    1 weight  0.10000E+01 volume  0.35625E-02 ppm1      4.580 ppm2      9.690 CV     1
 ASSI {  804}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      2.966 ppm2      9.681 CV     1
 ASSI {  805}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     0.900     0.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.18441E-02 ppm1      2.624 ppm2      9.690 CV     1
 ASSI {  807}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   807 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      3.999 ppm2      6.912 CV     1
 ASSI {  808}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1      3.999 ppm2      7.554 CV     1
 ASSI {  809}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.26195E-02 ppm1     -0.977 ppm2      6.912 CV     1
 OR {  809}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
 ASSI {  810}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak   810 spectrum    1 weight  0.10000E+01 volume  0.27383E-02 ppm1      0.223 ppm2      6.912 CV     1
 ASSI {  813}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak   813 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      3.341 ppm2      6.912 CV     1
 ASSI {  814}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   814 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      4.503 ppm2      6.912 CV     1
 ASSI {  815}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      2.779 ppm2      8.627 CV     1
 ASSI {  816}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.18371E-02 ppm1      2.663 ppm2      8.627 CV     1
 ASSI {  817}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     2.500     3.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.29129E-02 ppm1      2.779 ppm2      7.646 CV     1
 ASSI {  818}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     2.500     3.500 peak   818 spectrum    1 weight  0.10000E+01 volume  0.32342E-02 ppm1      2.663 ppm2      7.646 CV     1
 ASSI {  819}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      4.522 ppm2      8.627 CV     1
 ASSI {  820}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   820 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      3.986 ppm2      9.954 CV     1
 ASSI {  821}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.600     2.600     3.400 peak   821 spectrum    1 weight  0.10000E+01 volume  0.25217E-02 ppm1      5.122 ppm2      8.627 CV     1
 ASSI {  822}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   822 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      2.111 ppm2      9.953 CV     1
 ASSI {  823}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   823 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      2.204 ppm2      9.953 CV     1
 ASSI {  825}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      2.211 ppm2      8.627 CV     1
 ASSI {  826}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      2.117 ppm2      8.627 CV     1
 ASSI {  828}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.22074E-02 ppm1      3.727 ppm2      9.138 CV     1
 ASSI {  829}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.900     0.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      3.877 ppm2      9.138 CV     1
 ASSI {  830}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.900     0.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      3.739 ppm2      9.953 CV     1
 ASSI {  831}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   831 spectrum    1 weight  0.10000E+01 volume  0.27383E-02 ppm1      3.935 ppm2      9.953 CV     1
 ASSI {  834}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     2.600     3.400 peak   834 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      3.476 ppm2      9.358 CV     1
 ASSI {  835}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     2.600     3.400 peak   835 spectrum    1 weight  0.10000E+01 volume  0.23471E-02 ppm1      2.605 ppm2      9.358 CV     1
 ASSI {  836}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     0.800     0.800 peak   836 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      3.478 ppm2      9.138 CV     1
 ASSI {  837}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   837 spectrum    1 weight  0.10000E+01 volume  0.32971E-02 ppm1      2.623 ppm2      9.138 CV     1
 ASSI {  838}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     2.700     3.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      9.136 ppm2      9.358 CV     1
 ASSI {  839}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     0.900     0.900 peak   839 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      6.907 ppm2      9.358 CV     1
 ASSI {  840}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   840 spectrum    1 weight  0.10000E+01 volume  0.27592E-02 ppm1      5.869 ppm2      9.355 CV     1
 ASSI {  841}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      5.860 ppm2      9.140 CV     1
 ASSI {  842}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   842 spectrum    1 weight  0.10000E+01 volume  0.19559E-02 ppm1      9.953 ppm2      8.627 CV     1
 ASSI {  843}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.800     0.900     0.900 peak   843 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      7.637 ppm2      8.627 CV     1
 ASSI {  844}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     2.500     3.500 peak   844 spectrum    1 weight  0.10000E+01 volume  0.33390E-02 ppm1      6.917 ppm2      8.627 CV     1
 ASSI {  845}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     2.700     3.300 peak   845 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      2.791 ppm2      8.433 CV     1
 ASSI {  846}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.800     0.900     0.900 peak   846 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      2.525 ppm2      8.433 CV     1
 ASSI {  847}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     2.700     3.300 peak   847 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      2.313 ppm2      7.932 CV     1
 ASSI {  848}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     2.700     3.300 peak   848 spectrum    1 weight  0.10000E+01 volume  0.20537E-02 ppm1      2.154 ppm2      7.932 CV     1
 ASSI {  850}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.14599E-02 ppm1      4.281 ppm2      8.433 CV     1
 ASSI {  851}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   851 spectrum    1 weight  0.10000E+01 volume  0.21445E-02 ppm1      2.296 ppm2      8.433 CV     1
 ASSI {  852}
   (( segid "    " and resid 24   and name HG3 ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.20537E-02 ppm1      2.148 ppm2      8.433 CV     1
 ASSI {  853}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     2.700     3.300 peak   853 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      1.751 ppm2      7.932 CV     1
 ASSI {  855}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.700     2.700     3.300 peak   855 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      1.751 ppm2      8.433 CV     1
 ASSI {  856}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     2.800     3.200 peak   856 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      7.930 ppm2      8.703 CV     1
 ASSI {  857}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.900     1.000     1.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.13621E-02 ppm1      3.999 ppm2      8.703 CV     1
 ASSI {  859}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.17533E-02 ppm1      3.981 ppm2      7.932 CV     1
 ASSI {  861}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.18371E-02 ppm1     10.060 ppm2      8.703 CV     1
 ASSI {  863}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     2.600     3.400 peak   863 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      3.999 ppm2     10.059 CV     1
 ASSI {  864}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      2.800     0.900     0.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      0.494 ppm2     10.059 CV     1
 ASSI {  865}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.800     0.800 peak   865 spectrum    1 weight  0.10000E+01 volume  0.26265E-02 ppm1      2.075 ppm2     10.059 CV     1
 ASSI {  866}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.32761E-02 ppm1      1.674 ppm2     10.059 CV     1
 ASSI {  867}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.15996E-02 ppm1      3.558 ppm2      8.703 CV     1
 ASSI {  868}
   (( segid "    " and resid 22   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.900     0.900 peak   868 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      2.075 ppm2      8.703 CV     1
 ASSI {  869}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak   869 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      0.503 ppm2      8.703 CV     1
 ASSI {  870}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   870 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      4.677 ppm2      9.125 CV     1
 ASSI {  871}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      4.696 ppm2     10.059 CV     1
 ASSI {  872}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.19699E-02 ppm1      1.147 ppm2      9.123 CV     1
 ASSI {  873}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.19140E-02 ppm1      1.140 ppm2     10.059 CV     1
 ASSI {  874}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      5.577 ppm2      9.313 CV     1
 ASSI {  875}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      5.565 ppm2      9.125 CV     1
 ASSI {  876}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     2.700     3.300 peak   876 spectrum    1 weight  0.10000E+01 volume  0.19838E-02 ppm1      1.854 ppm2      9.313 CV     1
 ASSI {  877}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     2.600     3.400 peak   877 spectrum    1 weight  0.10000E+01 volume  0.24309E-02 ppm1      3.964 ppm2      9.313 CV     1
 ASSI {  878}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak   878 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      1.668 ppm2      9.313 CV     1
 ASSI {  879}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     2.700     3.300 peak   879 spectrum    1 weight  0.10000E+01 volume  0.22493E-02 ppm1      1.301 ppm2      9.313 CV     1
 ASSI {  880}
   (( segid "    " and resid 20   and name HD2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.29129E-02 ppm1      1.208 ppm2      9.317 CV     1
 ASSI {  881}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     2.600     3.400 peak   881 spectrum    1 weight  0.10000E+01 volume  0.26265E-02 ppm1      0.995 ppm2      9.313 CV     1
 ASSI {  882}
   (( segid "    " and resid 20   and name HD3 ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     2.700     3.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      0.867 ppm2      9.313 CV     1
 ASSI {  883}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak   883 spectrum    1 weight  0.10000E+01 volume  0.26963E-02 ppm1      1.857 ppm2      9.125 CV     1
 ASSI {  884}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     2.700     3.300 peak   884 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      1.668 ppm2      9.125 CV     1
 ASSI {  885}
   (( segid "    " and resid 20   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     2.700     3.300 peak   885 spectrum    1 weight  0.10000E+01 volume  0.22144E-02 ppm1      1.251 ppm2      9.120 CV     1
 ASSI {  887}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.900     0.900 peak   887 spectrum    1 weight  0.10000E+01 volume  0.23471E-02 ppm1      5.651 ppm2      9.126 CV     1
 ASSI {  888}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      5.661 ppm2      9.313 CV     1
 ASSI {  889}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.600     2.600     3.400 peak   889 spectrum    1 weight  0.10000E+01 volume  0.23052E-02 ppm1      1.866 ppm2      9.126 CV     1
 ASSI {  890}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 19   and name HN  ))
      2.600     2.600     3.400 peak   890 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      1.668 ppm2      9.126 CV     1
 OR {  890}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  891}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     2.500     3.500 peak   891 spectrum    1 weight  0.10000E+01 volume  0.29199E-02 ppm1      1.321 ppm2      9.126 CV     1
 ASSI {  893}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     2.500     3.500 peak   893 spectrum    1 weight  0.10000E+01 volume  0.30037E-02 ppm1      0.876 ppm2      9.126 CV     1
 ASSI {  894}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      4.896 ppm2      8.692 CV     1
 ASSI {  895}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   895 spectrum    1 weight  0.10000E+01 volume  0.18511E-02 ppm1      4.919 ppm2      9.126 CV     1
 ASSI {  896}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     2.500     3.500 peak   896 spectrum    1 weight  0.10000E+01 volume  0.32412E-02 ppm1      3.419 ppm2      8.692 CV     1
 ASSI {  897}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.27592E-02 ppm1      3.084 ppm2      8.692 CV     1
 ASSI {  898}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   898 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      3.425 ppm2      9.126 CV     1
 ASSI {  899}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   899 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      3.084 ppm2      9.126 CV     1
 ASSI {  901}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      5.614 ppm2      7.871 CV     1
 ASSI {  902}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.14250E-02 ppm1      5.611 ppm2      8.692 CV     1
 ASSI {  903}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      2.897 ppm2      7.871 CV     1
 ASSI {  904}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      2.775 ppm2      7.871 CV     1
 ASSI {  905}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     2.700     3.300 peak   905 spectrum    1 weight  0.10000E+01 volume  0.19629E-02 ppm1      2.903 ppm2      8.692 CV     1
 ASSI {  906}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     2.700     3.300 peak   906 spectrum    1 weight  0.10000E+01 volume  0.21445E-02 ppm1      2.775 ppm2      8.692 CV     1
 ASSI {  907}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     2.600     3.400 peak   907 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      8.707 ppm2      7.871 CV     1
 ASSI {  909}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   909 spectrum    1 weight  0.10000E+01 volume  0.19559E-02 ppm1      3.669 ppm2      8.536 CV     1
 ASSI {  910}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      3.663 ppm2      7.871 CV     1
 ASSI {  912}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   912 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      1.350 ppm2      8.536 CV     1
 ASSI {  913}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   913 spectrum    1 weight  0.10000E+01 volume  0.17254E-02 ppm1      1.118 ppm2      8.536 CV     1
 ASSI {  914}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   914 spectrum    1 weight  0.10000E+01 volume  0.28640E-02 ppm1      0.619 ppm2      8.536 CV     1
 ASSI {  916}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     2.700     3.300 peak   916 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      1.125 ppm2      7.872 CV     1
 ASSI {  917}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     2.700     3.300 peak   917 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      1.358 ppm2      7.871 CV     1
 ASSI {  920}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.18232E-02 ppm1      7.879 ppm2      8.536 CV     1
 ASSI {  921}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      4.753 ppm2      8.536 CV     1
 ASSI {  922}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      3.412 ppm2      6.541 CV     1
 ASSI {  923}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   923 spectrum    1 weight  0.10000E+01 volume  0.17114E-02 ppm1      2.591 ppm2      6.541 CV     1
 ASSI {  924}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     0.900     0.900 peak   924 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      3.412 ppm2      8.536 CV     1
 ASSI {  925}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   925 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      2.597 ppm2      8.536 CV     1
 ASSI {  926}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     2.600     3.400 peak   926 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      7.898 ppm2      6.540 CV     1
 ASSI {  927}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     2.500     3.500 peak   927 spectrum    1 weight  0.10000E+01 volume  0.29199E-02 ppm1      8.553 ppm2      6.540 CV     1
 ASSI {  929}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   929 spectrum    1 weight  0.10000E+01 volume  0.18441E-02 ppm1      9.688 ppm2      9.065 CV     1
 ASSI {  931}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   931 spectrum    1 weight  0.10000E+01 volume  0.24798E-02 ppm1      4.596 ppm2      9.067 CV     1
 ASSI {  933}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.23191E-02 ppm1      2.970 ppm2      9.067 CV     1
 ASSI {  934}
   (( segid "    " and resid 34   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   934 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      2.622 ppm2      9.067 CV     1
 ASSI {  935}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      1.405 ppm2      9.067 CV     1
 ASSI {  936}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      2.700     2.700     3.300 peak   936 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      0.841 ppm2      9.067 CV     1
 OR {  936}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  938}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   938 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      1.650 ppm2      9.067 CV     1
 ASSI {  939}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     2.700     3.300 peak   939 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      1.600 ppm2      9.067 CV     1
 ASSI {  940}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   940 spectrum    1 weight  0.10000E+01 volume  0.20537E-02 ppm1      4.647 ppm2      8.260 CV     1
 ASSI {  941}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     2.600     3.400 peak   941 spectrum    1 weight  0.10000E+01 volume  0.26335E-02 ppm1      1.650 ppm2      8.260 CV     1
 ASSI {  942}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.900     0.900 peak   942 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      1.608 ppm2      8.260 CV     1
 ASSI {  943}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   943 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      1.409 ppm2      8.260 CV     1
 ASSI {  944}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 36   and name HN  ))
      2.600     2.600     3.400 peak   944 spectrum    1 weight  0.10000E+01 volume  0.28291E-02 ppm1      0.984 ppm2      8.260 CV     1
 OR {  944}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
 ASSI {  946}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   946 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      9.078 ppm2      8.264 CV     1
 ASSI {  948}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   948 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      3.972 ppm2      8.006 CV     1
 ASSI {  949}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17533E-02 ppm1      3.434 ppm2      8.006 CV     1
 ASSI {  950}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   950 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      5.004 ppm2      8.007 CV     1
 ASSI {  951}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.18371E-02 ppm1      3.202 ppm2      8.260 CV     1
 ASSI {  952}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak   952 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      3.432 ppm2      8.260 CV     1
 ASSI {  953}
   (( segid "    " and resid 36   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.30666E-02 ppm1      3.208 ppm2      8.006 CV     1
 ASSI {  955}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak   955 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      8.265 ppm2      8.006 CV     1
 ASSI {  956}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   956 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      8.863 ppm2      8.006 CV     1
 ASSI {  957}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     2.700     3.300 peak   957 spectrum    1 weight  0.10000E+01 volume  0.22144E-02 ppm1      9.074 ppm2      8.006 CV     1
 ASSI {  960}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.26963E-02 ppm1      8.886 ppm2      8.751 CV     1
 ASSI {  961}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   961 spectrum    1 weight  0.10000E+01 volume  0.20607E-02 ppm1      4.141 ppm2      8.751 CV     1
 ASSI {  962}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   962 spectrum    1 weight  0.10000E+01 volume  0.16695E-02 ppm1      4.546 ppm2      8.751 CV     1
 ASSI {  964}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.15298E-02 ppm1      1.829 ppm2      8.751 CV     1
 ASSI {  966}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      3.116 ppm2      8.856 CV     1
 ASSI {  967}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.17044E-02 ppm1      3.261 ppm2      8.856 CV     1
 ASSI {  968}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   968 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      3.265 ppm2      8.751 CV     1
 ASSI {  969}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      3.114 ppm2      8.751 CV     1
 ASSI {  971}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   971 spectrum    1 weight  0.10000E+01 volume  0.35486E-02 ppm1      5.764 ppm2      8.796 CV     1
 ASSI {  972}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   972 spectrum    1 weight  0.10000E+01 volume  0.13971E-02 ppm1      5.771 ppm2      8.421 CV     1
 ASSI {  973}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     2.500     3.500 peak   973 spectrum    1 weight  0.10000E+01 volume  0.35276E-02 ppm1      8.451 ppm2      8.796 CV     1
 ASSI {  975}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.33600E-02 ppm1      2.918 ppm2      8.796 CV     1
 ASSI {  976}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     2.600     3.400 peak   976 spectrum    1 weight  0.10000E+01 volume  0.25846E-02 ppm1      2.358 ppm2      8.796 CV     1
 ASSI {  977}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak   977 spectrum    1 weight  0.10000E+01 volume  0.23890E-02 ppm1      2.924 ppm2      8.421 CV     1
 ASSI {  978}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      2.349 ppm2      8.421 CV     1
 ASSI {  979}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.19000E-02 ppm1      4.453 ppm2      8.421 CV     1
 ASSI {  980}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     0.900     0.900 peak   980 spectrum    1 weight  0.10000E+01 volume  0.17882E-02 ppm1      3.887 ppm2      9.475 CV     1
 ASSI {  981}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     0.900     0.900 peak   981 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      4.452 ppm2      9.470 CV     1
 ASSI {  982}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   982 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      3.889 ppm2      7.848 CV     1
 ASSI {  983}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak   983 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      4.452 ppm2      7.849 CV     1
 ASSI {  984}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.15088E-02 ppm1      4.080 ppm2      7.849 CV     1
 ASSI {  985}
   (( segid "    " and resid 52   and name HA2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.000     1.000 peak   985 spectrum    1 weight  0.10000E+01 volume  0.14530E-02 ppm1      3.429 ppm2      7.849 CV     1
 ASSI {  986}
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      4.080 ppm2      7.610 CV     1
 ASSI {  987}
   (( segid "    " and resid 52   and name HA2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      3.423 ppm2      7.610 CV     1
 ASSI {  988}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   988 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.884 ppm2      7.610 CV     1
 ASSI {  989}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.500     0.000 peak   989 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.459 ppm2      7.610 CV     1
 ASSI {  990}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   990 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      7.864 ppm2      7.612 CV     1
 ASSI {  993}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   993 spectrum    1 weight  0.10000E+01 volume  0.25427E-02 ppm1      7.864 ppm2      9.470 CV     1
 ASSI {  994}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.18511E-02 ppm1      8.439 ppm2      7.612 CV     1
 ASSI {  995}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.300     2.300     3.700 peak   995 spectrum    1 weight  0.10000E+01 volume  0.47361E-02 ppm1      8.805 ppm2      7.612 CV     1
 ASSI {  996}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   996 spectrum    1 weight  0.10000E+01 volume  0.18162E-02 ppm1      4.781 ppm2      8.797 CV     1
 ASSI {  997}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      5.064 ppm2      9.343 CV     1
 ASSI {  998}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      6.088 ppm2      9.343 CV     1
 ASSI {  999}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      2.800     1.000     1.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      1.930 ppm2      7.610 CV     1
 ASSI { 1003}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      0.915 ppm2      9.470 CV     1
 ASSI { 1004}
   (( segid "    " and resid 51   and name HG  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     2.700     3.300 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      1.508 ppm2      9.470 CV     1
 ASSI { 1005}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.500     2.500     3.500 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.28989E-02 ppm1      1.834 ppm2      9.470 CV     1
 ASSI { 1006}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.22563E-02 ppm1      1.664 ppm2      9.470 CV     1
 ASSI { 1007}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.24309E-02 ppm1      1.821 ppm2      7.849 CV     1
 ASSI { 1008}
   (( segid "    " and resid 51   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      1.678 ppm2      7.849 CV     1
 ASSI { 1009}
   (( segid "    " and resid 51   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.28500E-02 ppm1      1.501 ppm2      7.849 CV     1
 ASSI { 1010}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      0.915 ppm2      7.849 CV     1
 OR { 1010}
   (  segid "    " and resid 51   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI { 1011}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      6.092 ppm2      8.725 CV     1
 ASSI { 1012}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     2.600     3.400 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      8.745 ppm2      9.343 CV     1
 ASSI { 1013}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.453 ppm2      8.726 CV     1
 ASSI { 1014}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.500     0.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.800 ppm2      8.726 CV     1
 ASSI { 1015}
   (( segid "    " and resid 55   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.16695E-02 ppm1      1.767 ppm2      9.343 CV     1
 ASSI { 1016}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     2.700     3.300 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      1.592 ppm2      9.343 CV     1
 ASSI { 1017}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.19629E-02 ppm1      0.959 ppm2      9.343 CV     1
 ASSI { 1018}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      1.776 ppm2      8.726 CV     1
 ASSI { 1019}
   (( segid "    " and resid 55   and name HG  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     0.800     0.800 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      1.585 ppm2      8.726 CV     1
 ASSI { 1020}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
      2.700     0.900     0.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      0.966 ppm2      8.726 CV     1
 OR { 1020}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1021}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     0.900     0.900 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      3.635 ppm2      8.953 CV     1
 ASSI { 1022}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      3.451 ppm2      8.953 CV     1
 ASSI { 1023}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.29059E-02 ppm1      2.784 ppm2      8.953 CV     1
 ASSI { 1024}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.18162E-02 ppm1      5.004 ppm2      8.953 CV     1
 ASSI { 1026}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.011 ppm2      8.953 CV     1
 ASSI { 1027}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.914 ppm2      8.953 CV     1
 ASSI { 1028}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.500     0.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      8.953 CV     1
 ASSI { 1029}
   (( segid "    " and resid 57   and name HG3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.400     2.400     3.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.38419E-02 ppm1      1.426 ppm2      8.953 CV     1
 ASSI { 1030}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.600     2.600     3.400 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.23890E-02 ppm1      8.753 ppm2      8.963 CV     1
 ASSI { 1031}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.16625E-02 ppm1      3.911 ppm2      8.208 CV     1
 ASSI { 1032}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.21585E-02 ppm1      3.923 ppm2      8.857 CV     1
 ASSI { 1033}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      1.951 ppm2      8.208 CV     1
 ASSI { 1034}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      1.698 ppm2      8.208 CV     1
 ASSI { 1035}
   (( segid "    " and resid 58   and name HG3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.23191E-02 ppm1      1.416 ppm2      8.208 CV     1
 ASSI { 1036}
   (( segid "    " and resid 58   and name HD3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      3.181 ppm2      8.208 CV     1
 ASSI { 1037}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      2.026 ppm2      8.208 CV     1
 ASSI { 1038}
   (( segid "    " and resid 57   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     2.500     3.500 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.30247E-02 ppm1      1.652 ppm2      8.208 CV     1
 ASSI { 1039}
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.15787E-02 ppm1      1.945 ppm2      8.857 CV     1
 ASSI { 1040}
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      1.710 ppm2      8.857 CV     1
 ASSI { 1042}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.19838E-02 ppm1      8.216 ppm2      8.963 CV     1
 ASSI { 1045}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      8.859 ppm2      8.216 CV     1
 ASSI { 1046}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     0.900     0.900 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.24449E-02 ppm1      4.666 ppm2      8.854 CV     1
 ASSI { 1047}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.500     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.111 ppm2      8.857 CV     1
 ASSI { 1048}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.700     0.900     0.900 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.18651E-02 ppm1      2.553 ppm2      8.857 CV     1
 ASSI { 1049}
   (( segid "    " and resid 60   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.800     1.000     1.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.15787E-02 ppm1      2.697 ppm2      8.854 CV     1
 ASSI { 1050}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     2.600     3.400 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.26684E-02 ppm1      2.553 ppm2      8.854 CV     1
 ASSI { 1051}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     2.600     3.400 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      3.120 ppm2      8.854 CV     1
 ASSI { 1052}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      3.699 ppm2      8.276 CV     1
 ASSI { 1053}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      4.006 ppm2      8.275 CV     1
 ASSI { 1055}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      8.864 ppm2      8.275 CV     1
 ASSI { 1057}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 61   and name HN  ))
      2.700     2.700     3.300 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      1.359 ppm2      8.276 CV     1
 ASSI { 1058}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.22563E-02 ppm1      0.829 ppm2      8.276 CV     1
 OR { 1058}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1060}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      8.277 ppm2      7.785 CV     1
 ASSI { 1063}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.19280E-02 ppm1      7.665 ppm2      7.914 CV     1
 ASSI { 1065}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.18162E-02 ppm1      3.516 ppm2      7.914 CV     1
 ASSI { 1066}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      4.046 ppm2      7.498 CV     1
 ASSI { 1067}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     2.700     3.300 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.22144E-02 ppm1      4.046 ppm2      7.647 CV     1
 ASSI { 1068}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 65   and name HN  ))
      2.800     0.900     0.900 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      3.703 ppm2      7.914 CV     1
 ASSI { 1069}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      3.894 ppm2      7.914 CV     1
 ASSI { 1070}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.830 ppm2      7.782 CV     1
 ASSI { 1071}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 62   and name HN  ))
      2.500     2.500     3.500 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.35066E-02 ppm1      0.758 ppm2      7.785 CV     1
 OR { 1071}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1072}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.500     0.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.966 ppm2      7.785 CV     1
 ASSI { 1074}
   (( segid "    " and resid 61   and name HG  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     2.700     3.300 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      1.358 ppm2      7.782 CV     1
 ASSI { 1076}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      0.811 ppm2      7.498 CV     1
 ASSI { 1077}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.16905E-02 ppm1      1.760 ppm2      7.498 CV     1
 ASSI { 1079}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      1.842 ppm2      7.498 CV     1
 ASSI { 1080}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      1.964 ppm2      7.498 CV     1
 ASSI { 1082}
   (  segid "    " and resid 63   and name HD2%)
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      0.807 ppm2      7.649 CV     1
 OR { 1082}
   (  segid "    " and resid 63   and name HD1%)
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1084}
   (( segid "    " and resid 63   and name HG  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.26125E-02 ppm1      1.759 ppm2      7.649 CV     1
 ASSI { 1085}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.300     0.600     0.600 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.56931E-02 ppm1      4.436 ppm2      8.317 CV     1
 ASSI { 1086}
   (( segid "    " and resid 65   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.500     2.500     3.500 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.32622E-02 ppm1      3.520 ppm2      8.317 CV     1
 ASSI { 1087}
   (( segid "    " and resid 65   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     2.400     3.600 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.39747E-02 ppm1      3.270 ppm2      8.317 CV     1
 ASSI { 1090}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.600     0.900     0.900 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      4.462 ppm2      8.410 CV     1
 ASSI { 1096}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     0.900     0.900 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      4.670 ppm2      8.317 CV     1
 ASSI { 1097}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      2.825 ppm2      8.325 CV     1
 ASSI { 1098}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      2.728 ppm2      8.325 CV     1
 ASSI { 1105}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.40166E-02 ppm1      2.110 ppm2      8.381 CV     1
 ASSI { 1106}
   (( segid "    " and resid 85   and name HB3 ))
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.41703E-02 ppm1      2.036 ppm2      8.381 CV     1
 ASSI { 1107}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.30875E-02 ppm1      4.373 ppm2      8.381 CV     1
 ASSI { 1108}
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      2.147 ppm2      8.447 CV     1
 ASSI { 1109}
   (( segid "    " and resid 88   and name HG3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.600     0.900     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      2.065 ppm2      8.447 CV     1
 ASSI { 1110}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      1.932 ppm2      8.447 CV     1
 ASSI { 1111}
   (( segid "    " and resid 88   and name HB3 ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.19070E-02 ppm1      1.846 ppm2      8.447 CV     1
 ASSI { 1112}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.20188E-02 ppm1      3.224 ppm2      8.448 CV     1
 ASSI { 1113}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      3.061 ppm2      8.448 CV     1
 ASSI { 1115}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.800     1.000     1.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.17673E-02 ppm1      4.695 ppm2      8.473 CV     1
 ASSI { 1117}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.900     0.900 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.23820E-02 ppm1      3.229 ppm2      8.473 CV     1
 ASSI { 1118}
   (( segid "    " and resid 89   and name HB3 ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.26684E-02 ppm1      3.046 ppm2      8.473 CV     1
 ASSI { 1119}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      8.985 ppm2      8.479 CV     1
 ASSI { 1121}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.17813E-02 ppm1      4.946 ppm2      8.482 CV     1
 ASSI { 1122}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     1.000     1.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      2.123 ppm2      8.970 CV     1
 OR { 1122}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
 ASSI { 1123}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     1.000     1.000 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      4.257 ppm2      8.969 CV     1
 ASSI { 1124}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      4.257 ppm2      8.482 CV     1
 ASSI { 1129}
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      4.952 ppm2      7.600 CV     1
 ASSI { 1131}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.800     1.000     1.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.16136E-02 ppm1      8.489 ppm2      7.600 CV     1
 ASSI { 1134}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     0.900     0.900 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      3.988 ppm2      7.601 CV     1
 ASSI { 1136}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.800     1.000     1.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.17813E-02 ppm1      3.993 ppm2      8.709 CV     1
 ASSI { 1137}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HN  ))
      2.700     0.900     0.900 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      4.704 ppm2      8.709 CV     1
 ASSI { 1138}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.400     2.400     3.600 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.41703E-02 ppm1      1.991 ppm2      8.709 CV     1
 ASSI { 1139}
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HN  ))
      2.500     0.800     0.800 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      1.559 ppm2      8.709 CV     1
 ASSI { 1141}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.800     1.000     1.000 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      4.703 ppm2      8.321 CV     1
 ASSI { 1142}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      2.700     0.900     0.900 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      4.321 ppm2      8.321 CV     1
 ASSI { 1144}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      2.600     0.900     0.900 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.924 ppm2      8.321 CV     1
 OR { 1144}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 1145}
   (( segid "    " and resid 96   and name HG  ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     0.800     0.800 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.35486E-02 ppm1      1.335 ppm2      8.321 CV     1
 ASSI { 1146}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     1.000     1.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.14809E-02 ppm1      4.584 ppm2      8.850 CV     1
 ASSI { 1147}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 99   and name HN  ))
      2.600     2.600     3.400 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.24379E-02 ppm1      3.969 ppm2      8.850 CV     1
 ASSI { 1148}
   (( segid "    " and resid 98   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.18651E-02 ppm1      3.961 ppm2      8.879 CV     1
 ASSI { 1149}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.800     1.000     1.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.17743E-02 ppm1      4.829 ppm2      8.817 CV     1
 ASSI { 1150}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.22633E-02 ppm1      4.901 ppm2      7.994 CV     1
 ASSI { 1151}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.15158E-02 ppm1      4.581 ppm2      7.994 CV     1
 ASSI { 1152}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.500     2.500     3.500 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.35765E-02 ppm1      7.999 ppm2      9.351 CV     1
 ASSI { 1154}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.300     2.300     3.700 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.47151E-02 ppm1      8.827 ppm2      7.992 CV     1
 ASSI { 1157}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.900     0.900 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      4.824 ppm2      9.352 CV     1
 ASSI { 1158}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      4.891 ppm2      9.351 CV     1
 ASSI { 1159}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.17533E-02 ppm1      3.231 ppm2      9.350 CV     1
 ASSI { 1160}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HN  ))
      2.800     1.000     1.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.17463E-02 ppm1      2.811 ppm2      9.350 CV     1
 ASSI { 1161}
   (( segid "    " and resid 101  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     2.700     3.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      1.905 ppm2      7.994 CV     1
 ASSI { 1162}
   (( segid "    " and resid 101  and name HG2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.28430E-02 ppm1      1.973 ppm2      7.994 CV     1
 ASSI { 1163}
   (( segid "    " and resid 101  and name HG3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.900     0.900 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.24379E-02 ppm1      1.822 ppm2      7.994 CV     1
 ASSI { 1165}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 103  and name HN  ))
      2.500     2.500     3.500 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.33809E-02 ppm1      2.811 ppm2      8.424 CV     1
 ASSI { 1166}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 103  and name HN  ))
      2.300     2.300     3.700 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.56442E-02 ppm1      3.239 ppm2      8.424 CV     1
 ASSI { 1167}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.900     1.000     1.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.14110E-02 ppm1      4.824 ppm2      8.424 CV     1
 ASSI { 1168}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      2.600     0.900     0.900 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      4.396 ppm2      8.424 CV     1
 ASSI { 1169}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      4.254 ppm2      8.424 CV     1
 ASSI { 1170}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 103  and name HN  ))
      2.700     2.700     3.300 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      1.243 ppm2      8.424 CV     1
 ASSI { 1171}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      4.397 ppm2      8.087 CV     1
 ASSI { 1173}
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      4.346 ppm2      8.090 CV     1
 ASSI { 1174}
   (( segid "    " and resid 103  and name HB  ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      4.246 ppm2      8.090 CV     1
 ASSI { 1175}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      2.260 ppm2      8.090 CV     1
 ASSI { 1176}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      2.140 ppm2      8.090 CV     1
 ASSI { 1178}
   (  segid "    " and resid 103  and name HG2%)
   (( segid "    " and resid 104  and name HN  ))
      2.600     0.800     0.800 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.25427E-02 ppm1      1.244 ppm2      8.090 CV     1
 ASSI { 1180}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      8.102 ppm2      8.424 CV     1
 ASSI { 1183}
   (( segid "    " and resid 104  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.500     2.500     3.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.32691E-02 ppm1      2.267 ppm2      7.598 CV     1
 ASSI { 1184}
   (( segid "    " and resid 104  and name HG3 ))
   (( segid "    " and resid 105  and name HN  ))
      2.600     2.600     3.400 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      2.120 ppm2      7.598 CV     1
 ASSI { 1187}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.700     0.900     0.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.19978E-02 ppm1      7.607 ppm2      8.088 CV     1
 ASSI { 1189}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 106  and name HN  ))
      2.800     1.000     1.000 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      2.487 ppm2      8.143 CV     1
 ASSI { 1190}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HN  ))
      2.800     1.000     1.000 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.17114E-02 ppm1      2.575 ppm2      8.143 CV     1
 ASSI { 1192}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.900     1.000     1.000 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.13831E-02 ppm1      4.349 ppm2      8.143 CV     1
 ASSI { 1193}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 106  and name HN  ))
      2.800     1.000     1.000 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.16555E-02 ppm1      4.478 ppm2      8.143 CV     1
 ASSI { 1194}
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.15438E-02 ppm1      4.473 ppm2      8.001 CV     1
 ASSI { 1195}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      4.199 ppm2      8.001 CV     1
 ASSI { 1196}
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.900     0.900 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.24519E-02 ppm1      2.582 ppm2      8.001 CV     1
 ASSI { 1197}
   (( segid "    " and resid 106  and name HB3 ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     0.800     0.800 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.25357E-02 ppm1      2.490 ppm2      8.001 CV     1
 ASSI { 1198}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      2.800     1.000     1.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.17044E-02 ppm1      1.426 ppm2      8.004 CV     1
 ASSI { 1201}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      2.700     0.900     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      8.141 ppm2      8.001 CV     1
 ASSI { 1202}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      2.700     0.900     0.900 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      7.609 ppm2      8.146 CV     1
 ASSI { 1203}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.16276E-02 ppm1      1.381 ppm2      8.223 CV     1
 ASSI { 1204}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak  1204 spectrum    1 weight  0.10000E+01 volume  0.17114E-02 ppm1      4.197 ppm2      8.226 CV     1
 ASSI { 1206}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.700     0.900     0.900 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      8.011 ppm2      8.228 CV     1
 ASSI { 1207}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.700     0.900     0.900 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      4.254 ppm2      8.226 CV     1
 ASSI { 1208}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.20537E-02 ppm1      4.250 ppm2      8.194 CV     1
 ASSI { 1209}
   (( segid "    " and resid 109  and name HB3 ))
   (( segid "    " and resid 109  and name HN  ))
      2.600     0.800     0.800 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.26474E-02 ppm1      2.748 ppm2      8.194 CV     1
 ASSI { 1210}
   (( segid "    " and resid 109  and name HB2 ))
   (( segid "    " and resid 109  and name HN  ))
      2.500     0.800     0.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.31294E-02 ppm1      2.814 ppm2      8.194 CV     1
 ASSI { 1231}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      9.056 ppm2      9.448 CV     1
 ASSI { 1233}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     2.600     3.400 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.25985E-02 ppm1      5.024 ppm2      7.838 CV     1
 ASSI { 1234}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.14180E-02 ppm1      4.095 ppm2      7.838 CV     1
 ASSI { 1235}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     2.700     3.300 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.21445E-02 ppm1      2.267 ppm2      7.838 CV     1
 ASSI { 1236}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     2.700     3.300 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      2.356 ppm2      7.838 CV     1
 ASSI { 1238}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      4.717 ppm2      8.272 CV     1
 ASSI { 1239}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.21864E-02 ppm1      8.274 ppm2      8.648 CV     1
 ASSI { 1240}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.19699E-02 ppm1      4.717 ppm2      8.644 CV     1
 ASSI { 1241}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.19000E-02 ppm1      4.762 ppm2      8.644 CV     1
 ASSI { 1242}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17394E-02 ppm1      2.350 ppm2      9.042 CV     1
 ASSI { 1243}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.18302E-02 ppm1      3.658 ppm2      9.042 CV     1
 ASSI { 1244}
   (( segid "    " and resid 7    and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      2.341 ppm2      9.445 CV     1
 ASSI { 1245}
   (( segid "    " and resid 7    and name HA1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.22283E-02 ppm1      3.649 ppm2      9.445 CV     1
 ASSI { 1246}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.16765E-02 ppm1      4.023 ppm2      9.445 CV     1
 ASSI { 1247}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.17324E-02 ppm1      4.548 ppm2      9.445 CV     1
 ASSI { 1248}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      4.548 ppm2      7.969 CV     1
 ASSI { 1249}
   (( segid "    " and resid 8    and name HA2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     0.900     0.900 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      4.014 ppm2      7.969 CV     1
 ASSI { 1250}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     2.600     3.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      3.106 ppm2      7.969 CV     1
 ASSI { 1251}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     2.700     3.300 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      3.400 ppm2      7.969 CV     1
 ASSI { 1252}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     2.700     3.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.19210E-02 ppm1      3.391 ppm2      7.838 CV     1
 ASSI { 1253}
   (( segid "    " and resid 9    and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     2.500     3.500 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.35206E-02 ppm1      3.097 ppm2      7.838 CV     1
 ASSI { 1254}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.16695E-02 ppm1      3.631 ppm2      8.147 CV     1
 ASSI { 1255}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.20816E-02 ppm1      0.881 ppm2      8.147 CV     1
 ASSI { 1256}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.16555E-02 ppm1      4.227 ppm2      8.121 CV     1
 ASSI { 1257}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.900     0.900 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.22702E-02 ppm1      3.640 ppm2      8.121 CV     1
 ASSI { 1258}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      0.881 ppm2      8.121 CV     1
 ASSI { 1259}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.18511E-02 ppm1      3.417 ppm2      8.121 CV     1
 ASSI { 1260}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 6    and name HN  ))
      2.800     0.900     0.900 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      2.278 ppm2      8.121 CV     1
 ASSI { 1261}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      4.343 ppm2      8.121 CV     1
 ASSI { 1262}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     1.000     1.000 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.15228E-02 ppm1      4.467 ppm2      8.305 CV     1
 ASSI { 1263}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.800     1.000     1.000 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.17044E-02 ppm1      4.289 ppm2      8.305 CV     1
 ASSI { 1264}
   (( segid "    " and resid 3    and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      1.550 ppm2      8.305 CV     1
 ASSI { 1265}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.19559E-02 ppm1      1.471 ppm2      8.305 CV     1
 ASSI { 1266}
   (  segid "    " and resid 3    and name HD2%)
   (( segid "    " and resid 3    and name HN  ))
      2.600     0.900     0.900 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.23121E-02 ppm1      0.802 ppm2      8.305 CV     1
 OR { 1266}
   (  segid "    " and resid 3    and name HD1%)
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1267}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1267 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      4.194 ppm2      8.347 CV     1
 ASSI { 1268}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      1.542 ppm2      8.347 CV     1
 ASSI { 1269}
   (( segid "    " and resid 3    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     2.700     3.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.18791E-02 ppm1      1.439 ppm2      8.347 CV     1
 ASSI { 1270}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.17254E-02 ppm1      1.232 ppm2      8.347 CV     1
 ASSI { 1271}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.16835E-02 ppm1      1.097 ppm2      8.347 CV     1
 ASSI { 1272}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 4    and name HN  ))
      2.800     1.000     1.000 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.16485E-02 ppm1      0.794 ppm2      8.347 CV     1
 ASSI { 1274}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.19629E-02 ppm1      0.103 ppm2      8.347 CV     1
 OR { 1274}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HN  ))
 ASSI { 1276}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.22493E-02 ppm1      0.803 ppm2      8.147 CV     1
 ASSI { 1277}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      0.103 ppm2      8.147 CV     1
 OR { 1277}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 1280}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.700     0.900     0.900 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      4.475 ppm2      8.628 CV     1
 ASSI { 1285}
   (( segid "    " and resid 91   and name HB3 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.27383E-02 ppm1      2.734 ppm2      8.970 CV     1
 ASSI { 1286}
   (( segid "    " and resid 91   and name HB2 ))
   (( segid "    " and resid 92   and name HN  ))
      2.600     0.800     0.800 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.28430E-02 ppm1      2.815 ppm2      8.970 CV     1
 ASSI { 1287}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     1.000     1.000 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.16485E-02 ppm1      4.673 ppm2      8.970 CV     1
 ASSI { 1288}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.700     0.900     0.900 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      8.333 ppm2      8.967 CV     1
 ASSI { 1296}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.22842E-02 ppm1      4.054 ppm2      9.109 CV     1
 ASSI { 1297}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     0.900     0.900 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.23960E-02 ppm1      3.662 ppm2      9.109 CV     1
 ASSI { 1298}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     2.400     3.600 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.40934E-02 ppm1      8.285 ppm2      9.109 CV     1
 ASSI { 1299}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.39537E-02 ppm1      7.191 ppm2      9.109 CV     1
 ASSI { 1301}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.800     1.000     1.000 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.16555E-02 ppm1      5.130 ppm2      9.954 CV     1
 ASSI { 1302}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.22493E-02 ppm1      3.986 ppm2      8.627 CV     1
 ASSI { 1304}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.800     1.000     1.000 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      4.351 ppm2      9.043 CV     1
 ASSI { 1305}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
      2.500     2.500     3.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.31713E-02 ppm1      3.424 ppm2      9.045 CV     1
 ASSI { 1306}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      5.865 ppm2      9.041 CV     1
 ASSI { 1307}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     2.600     3.400 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      4.344 ppm2      9.445 CV     1
 ASSI { 1309}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     2.600     3.400 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.27941E-02 ppm1      3.544 ppm2      7.932 CV     1
 ASSI { 1310}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     2.600     3.400 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.27383E-02 ppm1      5.561 ppm2      7.932 CV     1
 ASSI { 1311}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     2.700     3.300 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      4.683 ppm2      8.703 CV     1
 ASSI { 1313}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     2.600     3.400 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.26265E-02 ppm1      8.433 ppm2      7.933 CV     1
 ASSI { 1314}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.18860E-02 ppm1      9.131 ppm2      7.933 CV     1
 ASSI { 1315}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     2.500     3.500 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.31294E-02 ppm1     10.065 ppm2      7.933 CV     1
 ASSI { 1316}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      9.914 ppm2      7.934 CV     1
 ASSI { 1317}
   (( segid "    " and resid 26   and name HE1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.19489E-02 ppm1      9.914 ppm2      9.121 CV     1
 ASSI { 1318}
   (( segid "    " and resid 26   and name HZ2 ))
   (( segid "    " and resid 26   and name HE1 ))
      2.800     0.900     0.900 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      7.054 ppm2      9.910 CV     1
 ASSI { 1319}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 26   and name HE1 ))
      2.800     1.000     1.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      6.918 ppm2      9.910 CV     1
 ASSI { 1320}
   (( segid "    " and resid 26   and name HZ3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.22074E-02 ppm1      6.911 ppm2      9.445 CV     1
 ASSI { 1321}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      7.206 ppm2      9.446 CV     1
 ASSI { 1322}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.24030E-02 ppm1      6.102 ppm2      9.690 CV     1
 ASSI { 1324}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.500     2.500     3.500 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      8.866 ppm2      7.785 CV     1
 ASSI { 1326}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.27662E-02 ppm1      7.510 ppm2      7.914 CV     1
 ASSI { 1330}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.600     2.600     3.400 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.26265E-02 ppm1      8.712 ppm2      7.600 CV     1
 ASSI { 1331}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      4.298 ppm2      8.224 CV     1
 ASSI { 1332}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.19140E-02 ppm1      4.484 ppm2      8.879 CV     1
 ASSI { 1335}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     2.400     3.600 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.37022E-02 ppm1      9.147 ppm2      7.637 CV     1
 ASSI { 1336}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     2.500     3.500 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.31993E-02 ppm1      8.446 ppm2      9.363 CV     1
 ASSI { 1345}
   (( segid "    " and resid 68   and name HA2 ))
   (( segid "    " and resid 68   and name HN  ))
      2.300     0.700     0.700 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.48618E-02 ppm1      4.004 ppm2      8.606 CV     1
 ASSI { 1346}
   (( segid "    " and resid 68   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      2.100     2.100     3.900 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.80331E-02 ppm1      4.138 ppm2      8.606 CV     1
 ASSI { 1348}
   (( segid "    " and resid 14   and name HA2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      3.630 ppm2      6.541 CV     1
 ASSI { 1349}
   (( segid "    " and resid 14   and name HA1 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     0.900     0.900 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.20607E-02 ppm1      4.437 ppm2      6.541 CV     1
 ASSI { 1350}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.800     1.000     1.000 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.15996E-02 ppm1      9.460 ppm2      7.971 CV     1
 ASSI { 1352}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     2.600     3.400 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      7.847 ppm2      9.448 CV     1
 ASSI { 1353}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.17603E-02 ppm1      7.992 ppm2      7.838 CV     1
 ASSI { 1354}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     0.900     0.900 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      8.283 ppm2      7.838 CV     1
 ASSI { 1357}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     0.800     0.800 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.32202E-02 ppm1      8.711 ppm2      9.125 CV     1
 ASSI { 1358}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.45405E-02 ppm1     10.063 ppm2      9.121 CV     1
 ASSI { 1359}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.500     2.500     3.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.31853E-02 ppm1      9.336 ppm2      9.125 CV     1
 ASSI { 1361}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.600     2.600     3.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.26754E-02 ppm1      8.230 ppm2      8.325 CV     1
 ASSI { 1362}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      2.600     2.600     3.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.28081E-02 ppm1      8.721 ppm2      8.325 CV     1
 ASSI { 1363}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.600     2.600     3.400 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.22772E-02 ppm1      3.638 ppm2      8.854 CV     1
 ASSI { 1364}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.900     0.900 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.23191E-02 ppm1      3.700 ppm2      7.787 CV     1
 ASSI { 1368}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.23541E-02 ppm1      5.066 ppm2      8.421 CV     1
 ASSI { 1369}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.22633E-02 ppm1      4.212 ppm2      8.856 CV     1
 ASSI { 1370}
   (  segid "    " and resid 108  and name HB% )
   (( segid "    " and resid 107  and name HN  ))
      2.700     2.700     3.300 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      1.382 ppm2      8.004 CV     1
 ASSI { 1371}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     2.700     3.300 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.20048E-02 ppm1      8.584 ppm2      8.855 CV     1
 ASSI { 1373}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.500     2.500     3.500 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.32202E-02 ppm1      8.280 ppm2      8.571 CV     1
 ASSI { 1374}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      2.400     2.400     3.600 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.37302E-02 ppm1      8.007 ppm2      8.571 CV     1
 ASSI { 1375}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     2.700     3.300 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      4.739 ppm2      7.871 CV     1
 ASSI { 1376}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.18162E-02 ppm1      3.413 ppm2      7.871 CV     1
 ASSI { 1377}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.25497E-02 ppm1      2.603 ppm2      7.871 CV     1
 ASSI { 1381}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     2.700     3.300 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.22563E-02 ppm1      3.003 ppm2      8.006 CV     1
 ASSI { 1382}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 37   and name HN  ))
      2.800     1.000     1.000 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.15507E-02 ppm1      4.229 ppm2      8.004 CV     1
 ASSI { 1383}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      2.400     2.400     3.600 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.36952E-02 ppm1      0.838 ppm2      8.006 CV     1
 OR { 1383}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1384}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.35625E-02 ppm1      1.652 ppm2      8.006 CV     1
 ASSI { 1385}
   (( segid "    " and resid 35   and name HG  ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.34298E-02 ppm1      1.604 ppm2      8.006 CV     1
 ASSI { 1386}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.34508E-02 ppm1      1.410 ppm2      8.006 CV     1
 ASSI { 1387}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     2.600     3.400 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      4.661 ppm2      8.007 CV     1
 ASSI { 1388}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.500     2.500     3.500 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.32063E-02 ppm1      4.568 ppm2      8.007 CV     1
 ASSI { 1390}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.600     2.600     3.400 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.25636E-02 ppm1      4.356 ppm2      9.138 CV     1
 ASSI { 1391}
   (( segid "    " and resid 6    and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      2.284 ppm2      9.138 CV     1
 ASSI { 1392}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.800     0.900     0.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      7.810 ppm2      7.494 CV     1
 ASSI { 1393}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  1393 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      7.644 ppm2      7.494 CV     1
 ASSI { 1394}
   (( segid "    " and resid 64   and name HA2 ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     2.600     3.400 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.26265E-02 ppm1      3.698 ppm2      7.498 CV     1
 ASSI { 1395}
   (( segid "    " and resid 64   and name HA1 ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     2.500     3.500 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.36184E-02 ppm1      3.911 ppm2      7.498 CV     1
 ASSI { 1396}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.700     0.900     0.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.18651E-02 ppm1      4.177 ppm2      7.647 CV     1
 ASSI { 1397}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     2.400     3.600 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.41423E-02 ppm1      4.185 ppm2      7.914 CV     1
 ASSI { 1398}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1398 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      5.662 ppm2      8.817 CV     1
 ASSI { 1399}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.19000E-02 ppm1      5.800 ppm2      9.358 CV     1
 ASSI { 1400}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.400     2.400     3.600 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.36883E-02 ppm1      5.868 ppm2      9.445 CV     1
 ASSI { 1401}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.500     0.800     0.800 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.29408E-02 ppm1      5.558 ppm2      9.358 CV     1
 ASSI { 1402}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.600     2.600     3.400 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.24169E-02 ppm1      5.558 ppm2      9.910 CV     1
 ASSI { 1403}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.40585E-02 ppm1      6.921 ppm2      9.140 CV     1
 ASSI { 1405}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      2.400     2.400     3.600 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.40305E-02 ppm1      8.624 ppm2      9.140 CV     1
 ASSI { 1409}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.23750E-02 ppm1      3.117 ppm2      8.726 CV     1
 ASSI { 1410}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      2.547 ppm2      8.726 CV     1
 ASSI { 1411}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      8.852 ppm2      8.725 CV     1
 ASSI { 1412}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     2.400     3.600 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.37511E-02 ppm1      8.437 ppm2      7.849 CV     1
 ASSI { 1413}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.24728E-02 ppm1      3.638 ppm2      8.208 CV     1
 ASSI { 1414}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     2.600     3.400 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.25916E-02 ppm1      3.458 ppm2      8.208 CV     1
 ASSI { 1415}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     2.500     3.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.32342E-02 ppm1      2.798 ppm2      8.208 CV     1
 ASSI { 1416}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.500     2.500     3.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.34088E-02 ppm1      5.003 ppm2      8.208 CV     1
 ASSI { 1417}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.16974E-02 ppm1      3.437 ppm2      8.856 CV     1
 ASSI { 1419}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     2.600     3.400 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.27383E-02 ppm1      5.769 ppm2      7.610 CV     1
 ASSI { 1420}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.33041E-02 ppm1      5.763 ppm2      9.343 CV     1
 ASSI { 1421}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.29199E-02 ppm1      2.365 ppm2      9.343 CV     1
 ASSI { 1423}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      2.400     0.700     0.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.43239E-02 ppm1      8.427 ppm2      9.343 CV     1
 ASSI { 1425}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     2.400     3.600 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.40166E-02 ppm1      3.645 ppm2      7.838 CV     1
 ASSI { 1426}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.300     2.300     3.700 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.55743E-02 ppm1      4.238 ppm2      7.838 CV     1
 ASSI { 1427}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      2.700     2.700     3.300 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.21445E-02 ppm1      0.887 ppm2      7.838 CV     1
 ASSI { 1428}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     2.800     3.200 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.16066E-02 ppm1      2.661 ppm2      8.644 CV     1
 ASSI { 1429}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     2.700     3.300 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      2.494 ppm2      8.644 CV     1
 ASSI { 1430}
   (( segid "    " and resid 11   and name HG3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.19769E-02 ppm1      2.316 ppm2      8.274 CV     1
 ASSI { 1431}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      2.429 ppm2      8.272 CV     1
 ASSI { 1432}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.700     0.900     0.900 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1      2.494 ppm2      8.272 CV     1
 ASSI { 1433}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      1.907 ppm2      8.421 CV     1
 ASSI { 1434}
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      1.635 ppm2      8.421 CV     1
 ASSI { 1436}
   (( segid "    " and resid 50   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      1.354 ppm2      8.421 CV     1
 ASSI { 1437}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      1.771 ppm2      8.422 CV     1
 ASSI { 1439}
   (( segid "    " and resid 54   and name HD3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     2.500     3.500 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.30316E-02 ppm1      0.988 ppm2      8.797 CV     1
 ASSI { 1440}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     2.400     3.600 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.38559E-02 ppm1      1.337 ppm2      8.797 CV     1
 ASSI { 1441}
   (( segid "    " and resid 54   and name HD2 ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.567 ppm2      8.797 CV     1
 ASSI { 1442}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.500     0.000 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.779 ppm2      8.797 CV     1
 ASSI { 1452}
   (  segid "    " and resid 96   and name HD2%)
   (( segid "    " and resid 96   and name HN  ))
      2.600     0.800     0.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      0.801 ppm2      8.321 CV     1
 OR { 1452}
   (  segid "    " and resid 96   and name HD1%)
   (( segid "    " and resid 96   and name HN  ))
 ASSI { 1453}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      2.600     0.900     0.900 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.24798E-02 ppm1      1.206 ppm2      8.867 CV     1
 ASSI { 1454}
   (( segid "    " and resid 99   and name HB3 ))
   (( segid "    " and resid 99   and name HN  ))
      2.800     0.900     0.900 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      1.813 ppm2      8.850 CV     1
 ASSI { 1456}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      0.324 ppm2      8.817 CV     1
 ASSI { 1457}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     2.700     3.300 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      1.294 ppm2      8.817 CV     1
 ASSI { 1458}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      0.971 ppm2      8.817 CV     1
 ASSI { 1459}
   (  segid "    " and resid 100  and name HD1%)
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.18651E-02 ppm1      0.852 ppm2      8.817 CV     1
 OR { 1459}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 100  and name HN  ))
 ASSI { 1484}
   (( segid "    " and resid 12   and name HD22))
   (( segid "    " and resid 12   and name HD21))
      3.000     3.000     3.000 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      6.934 ppm2      7.443 CV     1
 ASSI { 1485}
   (( segid "    " and resid 10   and name HE22))
   (( segid "    " and resid 10   and name HE21))
      3.000     3.000     3.000 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.11596E-02 ppm1      6.798 ppm2      7.466 CV     1
 ASSI { 1487}
   (( segid "    " and resid 104  and name HE22))
   (( segid "    " and resid 104  and name HE21))
      3.000     3.000     3.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.10967E-02 ppm1      6.567 ppm2      7.236 CV     1
 ASSI { 1488}
   (( segid "    " and resid 11   and name HE22))
   (( segid "    " and resid 11   and name HE21))
      2.700     0.900     0.900 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      6.850 ppm2      7.511 CV     1
 ASSI { 1489}
   (( segid "    " and resid 24   and name HE22))
   (( segid "    " and resid 24   and name HE21))
      3.000     3.000     3.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.11526E-02 ppm1      6.945 ppm2      7.310 CV     1
 ASSI { 1493}
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 107  and name HN  ))
      2.600     2.600     3.400 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      4.369 ppm2      8.001 CV     1
 ASSI { 1495}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      3.014 ppm2      8.726 CV     1
 ASSI { 1496}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.28221E-02 ppm1      4.200 ppm2      8.726 CV     1
 ASSI { 1497}
   (( segid "    " and resid 25   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     2.600     3.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.24728E-02 ppm1      2.527 ppm2      9.358 CV     1
 ASSI { 1498}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      2.795 ppm2      9.358 CV     1
 ASSI { 1499}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     0.900     0.900 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.23541E-02 ppm1      3.503 ppm2      7.642 CV     1
 ASSI { 1500}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.21166E-02 ppm1      3.739 ppm2      7.642 CV     1
 ASSI { 1501}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      3.895 ppm2      7.642 CV     1
 ASSI { 1502}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.600     2.600     3.400 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.22912E-02 ppm1      3.987 ppm2      7.642 CV     1
 ASSI { 1503}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      3.503 ppm2      6.912 CV     1
 ASSI { 1504}
   (( segid "    " and resid 27   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.400     2.400     3.600 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.46103E-02 ppm1      3.743 ppm2      6.912 CV     1
 ASSI { 1505}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.300     2.300     3.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.48059E-02 ppm1      3.899 ppm2      6.912 CV     1
 ASSI { 1506}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      3.348 ppm2      9.138 CV     1
 ASSI { 1510}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     2.600     3.400 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.23960E-02 ppm1      8.343 ppm2      8.479 CV     1
 ASSI { 1511}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.600     2.600     3.400 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.28430E-02 ppm1      4.668 ppm2      8.482 CV     1
 ASSI { 1512}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     2.700     3.300 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      4.693 ppm2      7.600 CV     1
 ASSI { 1513}
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.700     2.700     3.300 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.21655E-02 ppm1      4.255 ppm2      7.601 CV     1
 ASSI { 1514}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.500     2.500     3.500 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.35975E-02 ppm1      2.630 ppm2      6.912 CV     1
 ASSI { 1516}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.500     2.500     3.500 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      5.795 ppm2      9.910 CV     1
 ASSI { 1517}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.400     2.400     3.600 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.36463E-02 ppm1      8.135 ppm2      9.042 CV     1
 ASSI { 1519}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.600     2.600     3.400 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.27941E-02 ppm1      3.662 ppm2      9.350 CV     1
 ASSI { 1520}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      0.503 ppm2      6.541 CV     1
 ASSI { 1521}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
      2.600     2.600     3.400 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.25287E-02 ppm1      0.183 ppm2      9.042 CV     1
 ASSI { 1524}
   (( segid "    " and resid 13   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1     -0.573 ppm2      8.176 CV     1
 ASSI { 1525}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.900     0.900 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      0.188 ppm2      8.176 CV     1
 ASSI { 1526}
   (  segid "    " and resid 13   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.501 ppm2      8.176 CV     1
 ASSI { 1527}
   (( segid "    " and resid 13   and name HG12))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.21096E-02 ppm1      1.093 ppm2      8.176 CV     1
 ASSI { 1528}
   (( segid "    " and resid 13   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      1.184 ppm2      8.176 CV     1
 ASSI { 1529}
   (( segid "    " and resid 12   and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.23890E-02 ppm1      2.521 ppm2      8.176 CV     1
 ASSI { 1530}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     2.600     3.400 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.23960E-02 ppm1      2.654 ppm2      8.176 CV     1
 ASSI { 1531}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      3.870 ppm2      8.176 CV     1
 ASSI { 1533}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.15368E-02 ppm1      4.711 ppm2      8.176 CV     1
 ASSI { 1534}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     2.600     3.400 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.27662E-02 ppm1      3.511 ppm2      9.445 CV     1
 ASSI { 1535}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      2.600     2.600     3.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.26474E-02 ppm1      3.346 ppm2      9.445 CV     1
 ASSI { 1536}
   (( segid "    " and resid 8    and name HA1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     2.500     3.500 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.34019E-02 ppm1      4.548 ppm2      7.838 CV     1
 ASSI { 1537}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.400     2.400     3.600 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.37022E-02 ppm1      5.124 ppm2      7.642 CV     1
 ASSI { 1538}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     2.700     3.300 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      2.525 ppm2      8.644 CV     1
 ASSI { 1539}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     2.600     3.400 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.24309E-02 ppm1      2.423 ppm2      8.644 CV     1
 ASSI { 1540}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     2.700     3.300 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.20257E-02 ppm1      2.313 ppm2      8.644 CV     1
 ASSI { 1541}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     2.600     3.400 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.27662E-02 ppm1      4.725 ppm2      8.121 CV     1
 ASSI { 1543}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.24239E-02 ppm1      3.864 ppm2      6.541 CV     1
 ASSI { 1544}
   (  segid "    " and resid 13   and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.27103E-02 ppm1      0.187 ppm2      8.121 CV     1
 ASSI { 1545}
   (( segid "    " and resid 13   and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.36254E-02 ppm1     -0.569 ppm2      8.121 CV     1
 ASSI { 1546}
   (( segid "    " and resid 13   and name HG12))
   (( segid "    " and resid 6    and name HN  ))
      2.500     0.800     0.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.31644E-02 ppm1      1.088 ppm2      8.121 CV     1
 ASSI { 1548}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 19   and name HN  ))
      2.400     0.700     0.700 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.41703E-02 ppm1      6.795 ppm2      9.126 CV     1
 ASSI { 1549}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      6.920 ppm2      9.120 CV     1
 ASSI { 1552}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 20   and name HN  ))
      2.400     2.400     3.600 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.42680E-02 ppm1      6.771 ppm2      9.307 CV     1
 ASSI { 1553}
   (( segid "    " and resid 26   and name HD1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.300     2.300     3.700 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.48897E-02 ppm1      6.918 ppm2      9.307 CV     1
 ASSI { 1555}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 26   and name HN  ))
      2.500     2.500     3.500 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.34857E-02 ppm1      6.795 ppm2      9.358 CV     1
 ASSI { 1557}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.22493E-02 ppm1     -0.977 ppm2      7.551 CV     1
 ASSI { 1558}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 26   and name HE1 ))
      2.600     0.800     0.800 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.27313E-02 ppm1     -0.977 ppm2      9.910 CV     1
 ASSI { 1559}
   (( segid "    " and resid 100  and name HG  ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.25008E-02 ppm1      1.317 ppm2      7.994 CV     1
 ASSI { 1560}
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      0.992 ppm2      7.994 CV     1
 ASSI { 1561}
   (  segid "    " and resid 100  and name HD2%)
   (( segid "    " and resid 101  and name HN  ))
      2.700     0.900     0.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.21235E-02 ppm1      0.881 ppm2      7.994 CV     1
 ASSI { 1562}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      0.326 ppm2      7.994 CV     1
 ASSI { 1565}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HD21))
      2.700     0.900     0.900 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      2.811 ppm2      7.628 CV     1
 ASSI { 1566}
   (( segid "    " and resid 102  and name HB3 ))
   (( segid "    " and resid 102  and name HD22))
      2.600     0.900     0.900 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.23331E-02 ppm1      2.818 ppm2      6.614 CV     1
 ASSI { 1567}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD21))
      2.700     2.700     3.300 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.21794E-02 ppm1      3.241 ppm2      7.628 CV     1
 ASSI { 1568}
   (( segid "    " and resid 102  and name HB2 ))
   (( segid "    " and resid 102  and name HD22))
      2.600     2.600     3.400 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      3.245 ppm2      6.614 CV     1
 ASSI { 1569}
   (( segid "    " and resid 92   and name HB2 ))
   (( segid "    " and resid 93   and name HN  ))
      2.700     0.900     0.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.21305E-02 ppm1      2.128 ppm2      8.482 CV     1
 OR { 1569}
   (( segid "    " and resid 92   and name HB3 ))
   (( segid "    " and resid 93   and name HN  ))
 ASSI { 1574}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      4.658 ppm2      7.787 CV     1
 ASSI { 1575}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.500     2.500     3.500 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.30247E-02 ppm1      4.654 ppm2      7.498 CV     1
 ASSI { 1576}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      4.065 ppm2      8.264 CV     1
 ASSI { 1577}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 40   and name HN  ))
      2.600     2.600     3.400 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.25706E-02 ppm1      1.828 ppm2      8.263 CV     1
 ASSI { 1578}
   (( segid "    " and resid 40   and name HG  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.21375E-02 ppm1      1.554 ppm2      8.263 CV     1
 ASSI { 1580}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 40   and name HN  ))
      2.500     0.800     0.800 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.30386E-02 ppm1      0.736 ppm2      8.263 CV     1
 OR { 1580}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 40   and name HN  ))
 ASSI { 1582}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.19699E-02 ppm1      4.142 ppm2      8.264 CV     1
 ASSI { 1586}
   (( segid "    " and resid 102  and name HD21))
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.39886E-02 ppm1      7.625 ppm2      9.351 CV     1
 ASSI { 1589}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 102  and name HN  ))
      2.600     0.800     0.800 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.27033E-02 ppm1      6.782 ppm2      9.351 CV     1
 ASSI { 1590}
   (( segid "    " and resid 102  and name HD22))
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.38839E-02 ppm1      6.627 ppm2      9.351 CV     1
 ASSI { 1593}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     2.700     3.300 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.22353E-02 ppm1      5.335 ppm2      8.264 CV     1
 ASSI { 1596}
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 96   and name HN  ))
      2.500     2.500     3.500 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.31294E-02 ppm1      1.805 ppm2      8.321 CV     1
 ASSI { 1598}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.21934E-02 ppm1      5.611 ppm2      9.351 CV     1
 ASSI { 1599}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.400     2.400     3.600 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.45964E-02 ppm1      5.662 ppm2      8.879 CV     1
 ASSI { 1600}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      2.500     0.800     0.800 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.33180E-02 ppm1      6.792 ppm2      8.695 CV     1
 ASSI { 1602}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak  1602 spectrum    1 weight  0.10000E+01 volume  0.20886E-02 ppm1      7.037 ppm2      8.695 CV     1
 ASSI { 1603}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      2.700     2.700     3.300 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.18721E-02 ppm1      7.032 ppm2      7.871 CV     1
 ASSI { 1604}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 25   and name HN  ))
      2.700     0.900     0.900 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.20956E-02 ppm1      7.160 ppm2      8.433 CV     1
 ASSI { 1606}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      7.198 ppm2      9.140 CV     1
 ASSI { 1607}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 30   and name HN  ))
      2.500     2.500     3.500 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.32901E-02 ppm1      7.203 ppm2      7.636 CV     1
 ASSI { 1608}
   (( segid "    " and resid 26   and name HE3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.27592E-02 ppm1      7.198 ppm2      6.912 CV     1
 ASSI { 1609}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.19419E-02 ppm1      6.916 ppm2      8.421 CV     1
 ASSI { 1610}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.26405E-02 ppm1      6.725 ppm2      7.849 CV     1
 ASSI { 1612}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.30945E-02 ppm1      6.730 ppm2      7.612 CV     1
 ASSI { 1614}
   (  segid "    " and resid 49   and name HD% )
   (( segid "    " and resid 55   and name HN  ))
      2.500     2.500     3.500 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.36114E-02 ppm1      6.925 ppm2      9.343 CV     1
 ASSI { 1615}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 57   and name HN  ))
      2.500     2.500     3.500 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.32971E-02 ppm1      6.218 ppm2      8.963 CV     1
 ASSI { 1617}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.20467E-02 ppm1      6.419 ppm2      8.852 CV     1
 ASSI { 1619}
   (  segid "    " and resid 60   and name HD% )
   (( segid "    " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      6.567 ppm2      8.275 CV     1
 ASSI { 1622}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      0.591 ppm2      6.912 CV     1
 ASSI { 1624}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      4.232 ppm2      8.176 CV     1
 ASSI { 1625}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.15717E-02 ppm1      4.197 ppm2      8.151 CV     1
 ASSI { 1627}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     2.600     3.400 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.24449E-02 ppm1      4.185 ppm2      9.067 CV     1
 ASSI { 1628}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.300     2.300     3.700 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.48828E-02 ppm1      2.093 ppm2      8.263 CV     1
 ASSI { 1629}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     2.600     3.400 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.24099E-02 ppm1      5.797 ppm2      9.125 CV     1
 ASSI { 1631}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.30456E-02 ppm1      3.914 ppm2      8.275 CV     1
 ASSI { 1633}
   (  segid "    " and resid 17   and name HD% )
   (( segid "    " and resid 102  and name HN  ))
      2.400     2.400     3.600 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.45055E-02 ppm1      7.034 ppm2      9.351 CV     1
 ASSI { 1634}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 94   and name HN  ))
      2.500     2.500     3.500 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.30386E-02 ppm1      6.234 ppm2      7.600 CV     1
 ASSI { 1636}
   (  segid "    " and resid 48   and name HD% )
   (( segid "    " and resid 93   and name HN  ))
      2.500     2.500     3.500 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.34857E-02 ppm1      6.230 ppm2      8.479 CV     1
 ASSI { 1643}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      2.700     2.700     3.300 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.22423E-02 ppm1      3.008 ppm2      8.856 CV     1
 ASSI { 1644}
   (( segid "    " and resid 35   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.25706E-02 ppm1      1.413 ppm2      8.856 CV     1
 ASSI { 1645}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.26405E-02 ppm1      0.988 ppm2      8.856 CV     1
 ASSI { 1647}
   (  segid "    " and resid 35   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
      2.700     2.700     3.300 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.21515E-02 ppm1      0.990 ppm2      9.690 CV     1
 OR { 1647}
   (  segid "    " and resid 35   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1649}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.36463E-02 ppm1      0.407 ppm2      8.571 CV     1
 OR { 1649}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1650}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      2.300     2.300     3.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.47570E-02 ppm1      0.416 ppm2      9.690 CV     1
 OR { 1650}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1651}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.27173E-02 ppm1      0.915 ppm2      7.610 CV     1
 OR { 1651}
   (  segid "    " and resid 51   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 1652}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      2.500     2.500     3.500 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      0.968 ppm2      7.610 CV     1
 ASSI { 1653}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      2.700     0.900     0.900 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.20397E-02 ppm1      1.778 ppm2      7.610 CV     1
 ASSI { 1654}
   (  segid "    " and resid 47   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
      2.700     2.700     3.300 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.22633E-02 ppm1      0.637 ppm2      9.343 CV     1
 OR { 1654}
   (  segid "    " and resid 47   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1656}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.28570E-02 ppm1      4.714 ppm2      8.796 CV     1
 ASSI { 1658}
   (  segid "    " and resid 97   and name HD1%)
   (( segid "    " and resid 98   and name HN  ))
      2.600     2.600     3.400 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      0.481 ppm2      8.879 CV     1
 ASSI { 1659}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.18581E-02 ppm1      0.689 ppm2      8.879 CV     1
 ASSI { 1660}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     0.900     0.900 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.17952E-02 ppm1      1.843 ppm2      6.909 CV     1
 ASSI { 1661}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 31   and name HN  ))
      2.600     2.600     3.400 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.985 ppm2      6.909 CV     1
 ASSI { 1665}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.38210E-02 ppm1      1.009 ppm2      8.692 CV     1
 OR { 1665}
   (  segid "    " and resid 19   and name HD2%)
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1667}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 18   and name HN  ))
      2.500     2.500     3.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.35206E-02 ppm1      0.861 ppm2      8.692 CV     1
 ASSI { 1668}
   (( segid "    " and resid 100  and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      2.400     2.400     3.600 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.39747E-02 ppm1      0.311 ppm2      8.692 CV     1
 ASSI { 1670}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.16346E-02 ppm1      7.648 ppm2      6.912 CV     1
 ASSI { 1672}
   (  segid "    " and resid 55   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.21794E-02 ppm1      0.960 ppm2      8.854 CV     1
 ASSI { 1673}
   (  segid "    " and resid 61   and name HD2%)
   (( segid "    " and resid 60   and name HN  ))
      2.500     2.500     3.500 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.29758E-02 ppm1      0.825 ppm2      8.854 CV     1
 OR { 1673}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 1677}
   (( segid "    " and resid 54   and name HB3 ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     2.600     3.400 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.22982E-02 ppm1      1.345 ppm2      9.343 CV     1
 ASSI { 1678}
   (  segid "    " and resid 40   and name HD2%)
   (( segid "    " and resid 56   and name HN  ))
      2.600     2.600     3.400 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      0.762 ppm2      8.726 CV     1
 OR { 1678}
   (  segid "    " and resid 40   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1679}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak  1679 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      9.304 ppm2      8.868 CV     1
 ASSI { 1681}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.500     2.500     3.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.29059E-02 ppm1      4.512 ppm2      9.313 CV     1
 ASSI { 1682}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     2.200     3.800 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.69853E-02 ppm1      4.581 ppm2      9.313 CV     1
 ASSI { 1687}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     2.500     3.500 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.29758E-02 ppm1      2.263 ppm2      7.969 CV     1
 ASSI { 1688}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     2.500     3.500 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.30386E-02 ppm1      2.360 ppm2      7.969 CV     1
 ASSI { 1689}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 93   and name HN  ))
      2.400     2.400     3.600 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.42261E-02 ppm1      3.999 ppm2      8.482 CV     1
 ASSI { 1690}
   (( segid "    " and resid 95   and name HB3 ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.23401E-02 ppm1      1.299 ppm2      8.709 CV     1
 ASSI { 1694}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.400     2.400     3.600 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.42960E-02 ppm1      4.683 ppm2      9.910 CV     1
 ASSI { 1695}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HE1 ))
      2.400     2.400     3.600 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.37092E-02 ppm1      4.294 ppm2      9.910 CV     1
 ASSI { 1696}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     2.500     3.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.31644E-02 ppm1      3.965 ppm2      9.138 CV     1
 ASSI { 1697}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.400     2.400     3.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.38978E-02 ppm1      9.479 ppm2      7.612 CV     1
 ASSI { 1700}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     2.400     3.600 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.38000E-02 ppm1      7.854 ppm2      8.126 CV     1
 ASSI { 1701}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.400     2.400     3.600 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.38839E-02 ppm1      7.994 ppm2      8.126 CV     1
 ASSI { 1702}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     2.600     3.400 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.25287E-02 ppm1      8.275 ppm2      8.126 CV     1
 ASSI { 1704}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak  1704 spectrum    1 weight  0.10000E+01 volume  0.22004E-02 ppm1      8.704 ppm2      8.832 CV     1
 ASSI { 1709}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      2.400     2.400     3.600 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.40096E-02 ppm1      2.619 ppm2      9.126 CV     1
 ASSI { 1711}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.34019E-02 ppm1      4.231 ppm2      8.644 CV     1
 ASSI { 1712}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     2.500     3.500 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.33390E-02 ppm1      4.228 ppm2      8.272 CV     1
 ASSI { 1713}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.28151E-02 ppm1      1.232 ppm2      8.147 CV     1
 ASSI { 1714}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.500     2.500     3.500 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.31713E-02 ppm1      5.007 ppm2      8.856 CV     1
 ASSI { 1715}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.700     2.700     3.300 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.20327E-02 ppm1      8.868 ppm2      8.963 CV     1
 ASSI { 1716}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.500     2.500     3.500 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.34158E-02 ppm1      8.259 ppm2      8.725 CV     1
 ASSI { 1717}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.400     2.400     3.600 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.43589E-02 ppm1      3.985 ppm2      9.125 CV     1
 ASSI { 1718}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     2.400     3.600 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.38908E-02 ppm1      1.919 ppm2      7.849 CV     1
 ASSI { 1719}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      2.600     2.600     3.400 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.27802E-02 ppm1      1.767 ppm2      7.849 CV     1
 ASSI { 1720}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      2.700     0.900     0.900 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.22213E-02 ppm1      3.504 ppm2      9.138 CV     1
 ASSI { 1721}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     2.400     3.600 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.39747E-02 ppm1      3.641 ppm2      8.272 CV     1
 ASSI { 1722}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     2.500     3.500 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.32342E-02 ppm1      1.232 ppm2      8.176 CV     1
 ASSI { 1723}
   (( segid "    " and resid 4    and name HB3 ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     2.500     3.500 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.31155E-02 ppm1      0.813 ppm2      8.176 CV     1
 ASSI { 1724}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.26824E-02 ppm1      0.892 ppm2      8.176 CV     1
 ASSI { 1727}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.300     2.300     3.700 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.50853E-02 ppm1      3.500 ppm2      8.628 CV     1
 ASSI { 1728}
   (( segid "    " and resid 30   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      2.500     2.500     3.500 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.33809E-02 ppm1      3.343 ppm2      8.628 CV     1
 ASSI { 1730}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     2.600     3.400 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.28081E-02 ppm1      4.014 ppm2      8.860 CV     1
 ASSI { 1732}
   (  segid "    " and resid 51   and name HD1%)
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.26754E-02 ppm1      0.913 ppm2      8.416 CV     1
 OR { 1732}
   (  segid "    " and resid 51   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1733}
   (  segid "    " and resid 55   and name HD2%)
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      0.978 ppm2      8.419 CV     1
 ASSI { 1735}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     2.600     3.400 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.28011E-02 ppm1      4.775 ppm2      8.421 CV     1
 ASSI { 1736}
   (( segid "    " and resid 37   and name HA1 ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     2.500     3.500 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.35835E-02 ppm1      4.220 ppm2      8.259 CV     1
 ASSI { 1737}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.500     2.500     3.500 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.33250E-02 ppm1      3.973 ppm2      8.259 CV     1
 ASSI { 1738}
   (  segid "    " and resid 98   and name HG2%)
   (( segid "    " and resid 99   and name HN  ))
      2.800     1.000     1.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.17184E-02 ppm1      1.216 ppm2      8.850 CV     1
 ASSI { 1739}
   (  segid "    " and resid 25   and name HD% )
   (( segid "    " and resid 21   and name HN  ))
      2.500     2.500     3.500 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.33530E-02 ppm1      6.774 ppm2      9.126 CV     1
 ASSI { 1741}
   (( segid "    " and resid 19   and name HG  ))
   (( segid "    " and resid 98   and name HN  ))
      2.600     2.600     3.400 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.26544E-02 ppm1      0.873 ppm2      8.875 CV     1
 ASSI { 1742}
   (  segid "    " and resid 21   and name HB% )
   (( segid "    " and resid 98   and name HN  ))
      2.600     0.800     0.800 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.25147E-02 ppm1      1.141 ppm2      8.879 CV     1
 ASSI { 1744}
   (  segid "    " and resid 19   and name HD1%)
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.31574E-02 ppm1      1.667 ppm2      8.874 CV     1
 ASSI { 1745}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      2.600     2.600     3.400 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.23610E-02 ppm1      1.848 ppm2      8.870 CV     1
 ASSI { 1747}
   (( segid "    " and resid 97   and name HB  ))
   (( segid "    " and resid 98   and name HN  ))
      2.500     0.800     0.800 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.31923E-02 ppm1      1.472 ppm2      8.870 CV     1
 ASSI { 1748}
   (  segid "    " and resid 97   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.24728E-02 ppm1      0.697 ppm2      9.318 CV     1
 ASSI { 1749}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 24   and name HE21))
      2.600     0.900     0.900 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.24588E-02 ppm1      0.495 ppm2      7.307 CV     1
 ASSI { 1750}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 24   and name HE21))
      2.600     2.600     3.400 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.24658E-02 ppm1      0.570 ppm2      7.307 CV     1
 ASSI { 1751}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 26   and name HE1 ))
      2.600     2.600     3.400 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.25147E-02 ppm1      0.499 ppm2      9.907 CV     1
 ASSI { 1753}
   (( segid "    " and resid 22   and name HG13))
   (( segid "    " and resid 26   and name HE1 ))
      2.800     2.800     3.200 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.18092E-02 ppm1      1.139 ppm2      9.909 CV     1
 ASSI { 1754}
   (( segid "    " and resid 22   and name HG12))
   (( segid "    " and resid 26   and name HE1 ))
      2.800     1.000     1.000 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.15857E-02 ppm1      1.700 ppm2      9.907 CV     1
 ASSI { 1755}
   (  segid "    " and resid 22   and name HD1%)
   (( segid "    " and resid 26   and name HE1 ))
      2.600     0.900     0.900 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      0.574 ppm2      9.907 CV     1
 ASSI { 1787}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HN  ))
      2.700     0.900     0.900 peak  1787 spectrum    1 weight  0.10000E+01 volume  0.20118E-02 ppm1      8.322 ppm2      8.471 CV     1


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1          1H        GLY   1 -19.063  -9.751  -4.098
    2   2H    GLY   1          2H        GLY   1 -20.397 -10.773  -4.314
    3   3H    GLY   1          3H        GLY   1 -19.994  -9.642  -5.513
    4   1HA   GLY   1          2HA       GLY   1 -18.580 -12.130  -4.784
    5   2HA   GLY   1          1HA       GLY   1 -19.218 -11.653  -6.354
    6    H    SER   2           H        SER   2 -17.432 -11.611  -7.614
    7    HA   SER   2           HA       SER   2 -14.953 -10.493  -6.632
    8   1HB   SER   2          2HB       SER   2 -15.442 -11.262  -9.495
    9   2HB   SER   2          1HB       SER   2 -13.955 -11.371  -8.554
   10    HG   SER   2           HG       SER   2 -15.538 -12.898  -7.261
   11    H    LEU   3           H        LEU   3 -14.431  -8.438  -6.724
   12    HA   LEU   3           HA       LEU   3 -15.744  -6.701  -8.715
   13   1HB   LEU   3          2HB       LEU   3 -14.930  -6.227  -5.870
   14   2HB   LEU   3          1HB       LEU   3 -15.042  -4.879  -6.986
   15    HG   LEU   3           HG       LEU   3 -17.433  -6.461  -7.141
   16   1HD1  LEU   3          1HD1      LEU   3 -16.833  -5.385  -4.395
   17   2HD1  LEU   3          2HD1      LEU   3 -18.287  -6.228  -4.927
   18   3HD1  LEU   3          3HD1      LEU   3 -16.753  -7.093  -4.822
   19   1HD2  LEU   3          1HD2      LEU   3 -16.633  -3.652  -6.579
   20   2HD2  LEU   3          2HD2      LEU   3 -17.674  -4.299  -7.847
   21   3HD2  LEU   3          3HD2      LEU   3 -18.280  -4.157  -6.198
   22    H    LEU   4           H        LEU   4 -12.900  -6.579  -6.613
   23    HA   LEU   4           HA       LEU   4 -11.257  -5.888  -8.962
   24   1HB   LEU   4          2HB       LEU   4 -10.530  -5.176  -6.132
   25   2HB   LEU   4          1HB       LEU   4  -9.867  -4.531  -7.625
   26    HG   LEU   4           HG       LEU   4 -12.668  -3.934  -7.501
   27   1HD1  LEU   4          1HD1      LEU   4 -11.308  -2.519  -5.294
   28   2HD1  LEU   4          2HD1      LEU   4 -13.000  -2.983  -5.476
   29   3HD1  LEU   4          3HD1      LEU   4 -11.808  -4.183  -4.973
   30   1HD2  LEU   4          1HD2      LEU   4 -10.358  -2.830  -8.458
   31   2HD2  LEU   4          2HD2      LEU   4 -11.923  -2.019  -8.390
   32   3HD2  LEU   4          3HD2      LEU   4 -10.743  -1.767  -7.101
   33    H    THR   5           H        THR   5  -8.927  -6.606  -8.649
   34    HA   THR   5           HA       THR   5  -8.850  -9.036  -7.001
   35    HB   THR   5           HB       THR   5  -7.010  -9.565  -8.966
   36    HG1  THR   5           1HG      THR   5  -9.241  -8.171 -10.062
   37   1HG2  THR   5          1HG2      THR   5  -8.159 -11.464  -8.830
   38   2HG2  THR   5          2HG2      THR   5  -9.511 -10.724  -9.694
   39   3HG2  THR   5          3HG2      THR   5  -9.425 -10.619  -7.933
   40    H    CYS   6           H        CYS   6  -7.260  -9.174  -5.644
   41    HA   CYS   6           HA       CYS   6  -5.356  -7.030  -5.461
   42   1HB   CYS   6          2HB       CYS   6  -5.822  -7.431  -3.310
   43   2HB   CYS   6          1HB       CYS   6  -6.571  -8.978  -3.696
   44    H    GLY   7           H        GLY   7  -3.102  -7.276  -5.427
   45   1HA   GLY   7          1HA       GLY   7  -2.214  -9.375  -7.240
   46   2HA   GLY   7          2HA       GLY   7  -1.325  -7.923  -6.804
   47    H    GLY   8           H        GLY   8  -2.404  -9.113  -3.969
   48   1HA   GLY   8          1HA       GLY   8   0.203 -10.284  -3.395
   49   2HA   GLY   8          2HA       GLY   8  -1.010  -9.811  -2.213
   50    H    CYS   9           H        CYS   9  -3.217 -11.154  -2.938
   51    HA   CYS   9           HA       CYS   9  -2.348 -13.957  -2.720
   52   1HB   CYS   9          2HB       CYS   9  -4.366 -14.421  -1.499
   53   2HB   CYS   9          1HB       CYS   9  -3.587 -13.025  -0.767
   54    H    GLN  10           H        GLN  10  -4.101 -11.699  -4.580
   55    HA   GLN  10           HA       GLN  10  -5.194 -11.788  -6.555
   56   1HB   GLN  10          2HB       GLN  10  -3.082 -13.562  -6.754
   57   2HB   GLN  10          1HB       GLN  10  -4.456 -14.500  -7.323
   58   1HG   GLN  10          2HG       GLN  10  -3.937 -13.565  -9.291
   59   2HG   GLN  10          1HG       GLN  10  -4.870 -12.210  -8.660
   60   1HE2  GLN  10          1HE2      GLN  10  -3.568 -11.032 -10.235
   61   2HE2  GLN  10          2HE2      GLN  10  -2.001 -10.451  -9.744
   62    H    GLN  11           H        GLN  11  -6.421 -13.068  -4.081
   63    HA   GLN  11           HA       GLN  11  -8.193 -15.019  -5.323
   64   1HB   GLN  11          2HB       GLN  11  -8.699 -15.780  -3.198
   65   2HB   GLN  11          1HB       GLN  11  -7.039 -15.245  -3.005
   66   1HG   GLN  11          2HG       GLN  11  -7.608 -13.783  -1.443
   67   2HG   GLN  11          1HG       GLN  11  -8.894 -13.110  -2.444
   68   1HE2  GLN  11          1HE2      GLN  11  -8.078 -15.405   0.020
   69   2HE2  GLN  11          2HE2      GLN  11  -9.702 -15.790   0.484
   70    H    ASN  12           H        ASN  12  -8.199 -11.937  -5.562
   71    HA   ASN  12           HA       ASN  12  -9.772 -10.415  -6.174
   72   1HB   ASN  12          2HB       ASN  12 -11.362 -11.726  -7.152
   73   2HB   ASN  12          1HB       ASN  12 -11.482 -12.806  -5.768
   74   1HD2  ASN  12          1HD2      ASN  12 -13.181 -12.605  -4.467
   75   2HD2  ASN  12          2HD2      ASN  12 -14.310 -11.284  -4.493
   76    H    ILE  13           H        ILE  13 -10.827  -8.730  -5.215
   77    HA   ILE  13           HA       ILE  13 -10.844  -8.786  -2.278
   78    HB   ILE  13           HB       ILE  13 -11.073  -6.302  -3.930
   79   1HG1  ILE  13          2HG1      ILE  13  -8.405  -7.173  -2.957
   80   2HG1  ILE  13          1HG1      ILE  13  -9.025  -7.942  -4.409
   81   1HG2  ILE  13          1HG2      ILE  13 -10.688  -5.187  -2.011
   82   2HG2  ILE  13          2HG2      ILE  13 -11.259  -6.682  -1.268
   83   3HG2  ILE  13          3HG2      ILE  13  -9.528  -6.382  -1.428
   84   1HD1  ILE  13          1HD1      ILE  13  -8.814  -6.077  -5.652
   85   2HD1  ILE  13          2HD1      ILE  13  -9.142  -4.996  -4.296
   86   3HD1  ILE  13          3HD1      ILE  13  -7.551  -5.743  -4.462
   87    H    GLY  14           H        GLY  14 -12.825  -9.540  -1.723
   88   1HA   GLY  14          1HA       GLY  14 -15.188  -8.151  -2.821
   89   2HA   GLY  14          2HA       GLY  14 -15.216  -9.710  -1.998
   90    H    ASP  15           H        ASP  15 -13.140  -7.411  -0.703
   91    HA   ASP  15           HA       ASP  15 -14.504  -7.384   1.793
   92   1HB   ASP  15          2HB       ASP  15 -12.074  -5.837   0.857
   93   2HB   ASP  15          1HB       ASP  15 -12.620  -5.952   2.528
   94    H    ARG  16           H        ARG  16 -14.516  -5.089   2.967
   95    HA   ARG  16           HA       ARG  16 -16.259  -3.387   1.347
   96   1HB   ARG  16          2HB       ARG  16 -16.450  -2.135   3.627
   97   2HB   ARG  16          1HB       ARG  16 -17.282  -3.667   3.406
   98   1HG   ARG  16          2HG       ARG  16 -15.989  -4.744   4.910
   99   2HG   ARG  16          1HG       ARG  16 -14.548  -3.805   4.512
  100   1HD   ARG  16          2HD       ARG  16 -16.494  -2.062   5.645
  101   2HD   ARG  16          1HD       ARG  16 -16.324  -3.470   6.691
  102    HE   ARG  16           HE       ARG  16 -13.856  -2.963   6.618
  103   1HH1  ARG  16          2HH1      ARG  16 -16.329  -0.494   6.345
  104   2HH1  ARG  16          1HH1      ARG  16 -15.257   0.815   6.763
  105   1HH2  ARG  16          2HH2      ARG  16 -12.455  -1.260   7.243
  106   2HH2  ARG  16          1HH2      ARG  16 -13.078   0.367   7.347
  107    H    TYR  17           H        TYR  17 -13.144  -3.438   2.873
  108    HA   TYR  17           HA       TYR  17 -12.575  -0.765   1.753
  109   1HB   TYR  17          2HB       TYR  17 -12.361  -1.546   4.406
  110   2HB   TYR  17          1HB       TYR  17 -10.726  -1.774   3.800
  111    HD1  TYR  17           1HD      TYR  17  -9.283   0.024   3.968
  112    HD2  TYR  17           2HD      TYR  17 -13.460   0.760   3.666
  113    HE1  TYR  17           1HE      TYR  17  -8.873   2.430   4.243
  114    HE2  TYR  17           2HE      TYR  17 -13.063   3.169   3.934
  115    HH   TYR  17           HH       TYR  17 -11.485   4.788   3.931
  116    H    PHE  18           H        PHE  18 -10.297  -0.587   0.891
  117    HA   PHE  18           HA       PHE  18  -8.770  -2.946   0.575
  118   1HB   PHE  18          2HB       PHE  18  -9.082  -3.567  -1.619
  119   2HB   PHE  18          1HB       PHE  18 -10.715  -3.171  -1.142
  120    HD1  PHE  18           1HD      PHE  18 -11.396  -0.634  -1.613
  121    HD2  PHE  18           2HD      PHE  18  -8.296  -2.769  -3.600
  122    HE1  PHE  18           1HE      PHE  18 -11.556   0.910  -3.520
  123    HE2  PHE  18           2HE      PHE  18  -8.446  -1.221  -5.504
  124    HZ   PHE  18           HZ       PHE  18 -10.080   0.619  -5.465
  125    H    LEU  19           H        LEU  19  -6.928  -2.611  -0.790
  126    HA   LEU  19           HA       LEU  19  -6.123   0.224  -0.737
  127   1HB   LEU  19          2HB       LEU  19  -4.969  -2.146   0.515
  128   2HB   LEU  19          1HB       LEU  19  -3.818  -1.092  -0.291
  129    HG   LEU  19           HG       LEU  19  -4.195  -0.592   2.111
  130   1HD1  LEU  19          1HD1      LEU  19  -4.928   1.658   0.320
  131   2HD1  LEU  19          2HD1      LEU  19  -4.112   1.750   1.881
  132   3HD1  LEU  19          3HD1      LEU  19  -3.291   1.022   0.500
  133   1HD2  LEU  19          1HD2      LEU  19  -6.752   0.685   1.417
  134   2HD2  LEU  19          2HD2      LEU  19  -6.709  -1.015   1.893
  135   3HD2  LEU  19          3HD2      LEU  19  -6.115   0.227   2.996
  136    H    LYS  20           H        LYS  20  -4.818   0.944  -2.460
  137    HA   LYS  20           HA       LYS  20  -3.700  -0.929  -4.335
  138   1HB   LYS  20          2HB       LYS  20  -5.491  -1.149  -5.665
  139   2HB   LYS  20          1HB       LYS  20  -6.401   0.026  -4.734
  140   1HG   LYS  20          2HG       LYS  20  -4.417   1.044  -6.691
  141   2HG   LYS  20          1HG       LYS  20  -5.896   0.330  -7.312
  142   1HD   LYS  20          2HD       LYS  20  -5.963   2.427  -5.167
  143   2HD   LYS  20          1HD       LYS  20  -5.865   2.862  -6.876
  144   1HE   LYS  20          2HE       LYS  20  -7.961   0.963  -5.890
  145   2HE   LYS  20          1HE       LYS  20  -8.187   2.705  -5.747
  146   1HZ   LYS  20          1HZ       LYS  20  -8.875   1.257  -7.899
  147   2HZ   LYS  20          2HZ       LYS  20  -7.337   1.812  -8.363
  148   3HZ   LYS  20          3HZ       LYS  20  -8.543   2.921  -7.931
  149    H    ALA  21           H        ALA  21  -2.322   0.180  -5.941
  150    HA   ALA  21           HA       ALA  21  -2.240   2.940  -6.297
  151   1HB   ALA  21          1HB       ALA  21  -0.469   3.746  -4.918
  152   2HB   ALA  21          2HB       ALA  21  -1.665   2.981  -3.871
  153   3HB   ALA  21          3HB       ALA  21  -0.169   2.135  -4.268
  154    H    ILE  22           H        ILE  22  -0.110   0.148  -5.863
  155    HA   ILE  22           HA       ILE  22   2.078   0.939  -7.271
  156    HB   ILE  22           HB       ILE  22   0.856  -1.814  -7.097
  157   1HG1  ILE  22          2HG1      ILE  22   2.955  -0.326  -5.536
  158   2HG1  ILE  22          1HG1      ILE  22   1.488  -1.092  -4.944
  159   1HG2  ILE  22          1HG2      ILE  22   2.803  -1.037  -8.914
  160   2HG2  ILE  22          2HG2      ILE  22   3.698  -1.800  -7.601
  161   3HG2  ILE  22          3HG2      ILE  22   2.408  -2.685  -8.418
  162   1HD1  ILE  22          1HD1      ILE  22   4.138  -2.245  -5.513
  163   2HD1  ILE  22          2HD1      ILE  22   2.966  -2.643  -4.258
  164   3HD1  ILE  22          3HD1      ILE  22   2.739  -3.246  -5.899
  165    H    ASP  23           H        ASP  23  -0.656  -0.851  -8.616
  166    HA   ASP  23           HA       ASP  23  -0.903   0.490 -11.035
  167   1HB   ASP  23          2HB       ASP  23   1.284  -0.288 -11.695
  168   2HB   ASP  23          1HB       ASP  23   0.931  -1.920 -11.142
  169    H    GLN  24           H        GLN  24  -1.401  -1.961  -8.871
  170    HA   GLN  24           HA       GLN  24  -3.761  -2.941 -10.295
  171   1HB   GLN  24          2HB       GLN  24  -3.332  -5.188  -9.565
  172   2HB   GLN  24          1HB       GLN  24  -1.880  -4.608 -10.362
  173   1HG   GLN  24          2HG       GLN  24  -2.306  -4.761  -7.385
  174   2HG   GLN  24          1HG       GLN  24  -1.389  -5.909  -8.353
  175   1HE2  GLN  24          1HE2      GLN  24   0.715  -5.465  -8.823
  176   2HE2  GLN  24          2HE2      GLN  24   1.530  -4.015  -8.347
  177    H    TYR  25           H        TYR  25  -4.762  -4.527  -8.278
  178    HA   TYR  25           HA       TYR  25  -5.194  -2.568  -6.127
  179   1HB   TYR  25          2HB       TYR  25  -7.113  -4.792  -6.787
  180   2HB   TYR  25          1HB       TYR  25  -7.427  -3.286  -5.925
  181    HD1  TYR  25           1HD      TYR  25  -6.545  -1.180  -7.588
  182    HD2  TYR  25           2HD      TYR  25  -8.292  -4.884  -8.765
  183    HE1  TYR  25           1HE      TYR  25  -7.303  -0.151  -9.687
  184    HE2  TYR  25           2HE      TYR  25  -9.046  -3.861 -10.873
  185    HH   TYR  25           HH       TYR  25  -8.321  -1.905 -12.328
  186    H    TRP  26           H        TRP  26  -5.546  -3.450  -3.983
  187    HA   TRP  26           HA       TRP  26  -4.232  -6.052  -3.569
  188   1HB   TRP  26          2HB       TRP  26  -3.632  -3.465  -2.119
  189   2HB   TRP  26          1HB       TRP  26  -2.966  -5.037  -1.699
  190    HD1  TRP  26           HD       TRP  26  -2.612  -2.210  -4.218
  191    HE1  TRP  26           1HE      TRP  26  -0.434  -2.553  -5.532
  192    HE3  TRP  26           3HE      TRP  26  -1.391  -6.872  -2.540
  193    HZ2  TRP  26           2HZ      TRP  26   1.555  -4.536  -5.807
  194    HZ3  TRP  26           3HZ      TRP  26   0.669  -7.926  -3.378
  195    HH2  TRP  26           HH       TRP  26   2.114  -6.772  -4.979
  196    H    HIS  27           H        HIS  27  -4.096  -5.994  -0.887
  197    HA   HIS  27           HA       HIS  27  -6.856  -5.687   0.086
  198   1HB   HIS  27          2HB       HIS  27  -5.022  -8.024   0.258
  199   2HB   HIS  27          1HB       HIS  27  -5.937  -7.631   1.706
  200    HD2  HIS  27           2HD      HIS  27  -8.834  -7.171   0.758
  201    HE1  HIS  27           1HE      HIS  27  -8.390 -10.704  -1.533
  202    HE2  HIS  27           2HE      HIS  27 -10.043  -9.194  -0.312
  203    H    GLU  28           H        GLU  28  -6.886  -5.452   2.509
  204    HA   GLU  28           HA       GLU  28  -5.084  -3.463   3.348
  205   1HB   GLU  28          2HB       GLU  28  -6.940  -5.159   5.017
  206   2HB   GLU  28          1HB       GLU  28  -6.243  -3.618   5.462
  207   1HG   GLU  28          2HG       GLU  28  -7.550  -2.448   3.893
  208   2HG   GLU  28          1HG       GLU  28  -8.045  -3.942   3.094
  209    H    ASP  29           H        ASP  29  -5.417  -6.902   4.211
  210    HA   ASP  29           HA       ASP  29  -2.996  -6.730   5.824
  211   1HB   ASP  29          2HB       ASP  29  -5.328  -8.122   6.179
  212   2HB   ASP  29          1HB       ASP  29  -4.268  -9.368   5.526
  213    H    CYS  30           H        CYS  30  -3.633  -7.187   2.686
  214    HA   CYS  30           HA       CYS  30  -1.699  -9.313   2.218
  215   1HB   CYS  30          2HB       CYS  30  -3.700  -7.877   0.550
  216   2HB   CYS  30          1HB       CYS  30  -2.293  -8.554  -0.256
  217    H    LEU  31           H        LEU  31  -2.123  -5.874   1.578
  218    HA   LEU  31           HA       LEU  31   0.359  -5.525   0.251
  219   1HB   LEU  31          2HB       LEU  31  -1.903  -3.966   0.801
  220   2HB   LEU  31          1HB       LEU  31  -0.560  -3.124   1.551
  221    HG   LEU  31           HG       LEU  31  -0.668  -3.966  -1.343
  222   1HD1  LEU  31          1HD1      LEU  31  -0.723  -1.131  -0.463
  223   2HD1  LEU  31          2HD1      LEU  31  -1.382  -1.882  -1.917
  224   3HD1  LEU  31          3HD1      LEU  31  -2.212  -2.072  -0.372
  225   1HD2  LEU  31          1HD2      LEU  31   1.534  -3.351   0.250
  226   2HD2  LEU  31          2HD2      LEU  31   1.474  -3.395  -1.515
  227   3HD2  LEU  31          3HD2      LEU  31   1.202  -1.876  -0.659
  228    H    SER  32           H        SER  32   1.692  -6.721   1.817
  229    HA   SER  32           HA       SER  32   2.494  -5.056   4.103
  230   1HB   SER  32          2HB       SER  32   3.814  -7.613   4.052
  231   2HB   SER  32          1HB       SER  32   2.700  -6.971   5.260
  232    HG   SER  32           HG       SER  32   1.006  -7.620   3.694
  233    H    CYS  33           H        CYS  33   5.012  -5.594   4.521
  234    HA   CYS  33           HA       CYS  33   6.348  -4.480   2.214
  235   1HB   CYS  33          2HB       CYS  33   7.266  -3.398   3.965
  236   2HB   CYS  33          1HB       CYS  33   6.819  -4.661   5.103
  237    H    ASP  34           H        ASP  34   8.562  -5.390   1.667
  238    HA   ASP  34           HA       ASP  34   8.208  -8.222   1.122
  239   1HB   ASP  34          2HB       ASP  34   8.882  -6.295  -0.554
  240   2HB   ASP  34          1HB       ASP  34  10.502  -6.670   0.025
  241    H    LEU  35           H        LEU  35  10.715  -6.089   2.469
  242    HA   LEU  35           HA       LEU  35  12.087  -8.517   3.387
  243   1HB   LEU  35          2HB       LEU  35  13.406  -7.678   1.705
  244   2HB   LEU  35          1HB       LEU  35  13.097  -6.012   2.138
  245    HG   LEU  35           HG       LEU  35  14.502  -6.544   4.254
  246   1HD1  LEU  35          1HD1      LEU  35  14.573  -8.976   3.898
  247   2HD1  LEU  35          2HD1      LEU  35  15.452  -8.720   2.390
  248   3HD1  LEU  35          3HD1      LEU  35  16.187  -8.265   3.927
  249   1HD2  LEU  35          1HD2      LEU  35  16.316  -5.592   3.196
  250   2HD2  LEU  35          2HD2      LEU  35  16.084  -6.530   1.720
  251   3HD2  LEU  35          3HD2      LEU  35  15.004  -5.176   2.083
  252    H    CYS  36           H        CYS  36  11.649  -5.054   4.379
  253    HA   CYS  36           HA       CYS  36  12.851  -5.355   6.894
  254   1HB   CYS  36          2HB       CYS  36  10.445  -3.623   6.878
  255   2HB   CYS  36          1HB       CYS  36  12.058  -3.292   7.480
  256    H    GLY  37           H        GLY  37   9.564  -5.950   5.815
  257   1HA   GLY  37          1HA       GLY  37   8.042  -7.487   6.670
  258   2HA   GLY  37          2HA       GLY  37   9.140  -7.798   8.014
  259    H    CYS  38           H        CYS  38   7.803  -4.705   6.886
  260    HA   CYS  38           HA       CYS  38   6.638  -4.375   9.561
  261   1HB   CYS  38          2HB       CYS  38   6.737  -1.869   8.817
  262   2HB   CYS  38          1HB       CYS  38   8.211  -2.669   9.351
  263    HG   CYS  38           HG       CYS  38   9.567  -2.213   7.218
  264    H    ARG  39           H        ARG  39   5.662  -1.945   7.540
  265    HA   ARG  39           HA       ARG  39   3.613  -3.140   6.038
  266   1HB   ARG  39          2HB       ARG  39   2.949  -2.823   8.783
  267   2HB   ARG  39          1HB       ARG  39   2.033  -1.624   7.879
  268   1HG   ARG  39          2HG       ARG  39   1.805  -3.979   6.403
  269   2HG   ARG  39          1HG       ARG  39   1.623  -4.460   8.089
  270   1HD   ARG  39          2HD       ARG  39   0.047  -2.333   8.139
  271   2HD   ARG  39          1HD       ARG  39  -0.081  -2.698   6.418
  272    HE   ARG  39           HE       ARG  39  -0.476  -5.074   7.830
  273   1HH1  ARG  39          2HH1      ARG  39  -2.077  -1.976   7.390
  274   2HH1  ARG  39          1HH1      ARG  39  -3.671  -2.635   7.614
  275   1HH2  ARG  39          2HH2      ARG  39  -2.560  -5.918   8.152
  276   2HH2  ARG  39          1HH2      ARG  39  -3.945  -4.874   8.051
  277    H    LEU  40           H        LEU  40   5.550  -1.333   5.507
  278    HA   LEU  40           HA       LEU  40   6.047   0.730   4.718
  279   1HB   LEU  40          2HB       LEU  40   3.617   1.277   3.367
  280   2HB   LEU  40          1HB       LEU  40   5.129   0.675   2.722
  281    HG   LEU  40           HG       LEU  40   3.310  -1.261   4.023
  282   1HD1  LEU  40          1HD1      LEU  40   1.590  -0.755   2.712
  283   2HD1  LEU  40          2HD1      LEU  40   2.562   0.370   1.760
  284   3HD1  LEU  40          3HD1      LEU  40   2.573  -1.350   1.373
  285   1HD2  LEU  40          1HD2      LEU  40   4.626  -2.750   3.039
  286   2HD2  LEU  40          2HD2      LEU  40   4.471  -1.951   1.473
  287   3HD2  LEU  40          3HD2      LEU  40   5.687  -1.401   2.629
  288    H    GLY  41           H        GLY  41   2.979   2.032   4.286
  289   1HA   GLY  41          1HA       GLY  41   2.585   3.322   6.774
  290   2HA   GLY  41          2HA       GLY  41   3.476   4.372   5.671
  291    H    GLU  42           H        GLU  42   0.501   2.694   6.256
  292    HA   GLU  42           HA       GLU  42  -0.776   3.313   3.828
  293   1HB   GLU  42          2HB       GLU  42  -2.133   2.723   6.453
  294   2HB   GLU  42          1HB       GLU  42  -2.781   2.474   4.838
  295   1HG   GLU  42          2HG       GLU  42  -1.606   0.563   4.506
  296   2HG   GLU  42          1HG       GLU  42  -0.266   1.072   5.536
  297    H    VAL  43           H        VAL  43   0.138   5.698   4.258
  298    HA   VAL  43           HA       VAL  43  -2.255   7.263   4.948
  299    HB   VAL  43           HB       VAL  43   0.489   8.476   5.107
  300   1HG1  VAL  43          1HG1      VAL  43  -2.124   9.442   5.308
  301   2HG1  VAL  43          2HG1      VAL  43  -1.498   9.431   6.958
  302   3HG1  VAL  43          3HG1      VAL  43  -0.633  10.307   5.693
  303   1HG2  VAL  43          1HG2      VAL  43  -0.902   6.833   7.191
  304   2HG2  VAL  43          2HG2      VAL  43   0.791   6.804   6.697
  305   3HG2  VAL  43          3HG2      VAL  43   0.175   8.153   7.650
  306    H    GLY  44           H        GLY  44  -3.003   7.247   2.910
  307   1HA   GLY  44          1HA       GLY  44  -1.854   7.103   0.531
  308   2HA   GLY  44          2HA       GLY  44  -3.292   8.074   0.772
  309    H    ARG  45           H        ARG  45  -0.164   8.043  -0.313
  310    HA   ARG  45           HA       ARG  45  -0.257  10.845  -0.930
  311   1HB   ARG  45          2HB       ARG  45   1.099  10.098   1.415
  312   2HB   ARG  45          1HB       ARG  45   2.356  10.365   0.214
  313   1HG   ARG  45          2HG       ARG  45   0.884  12.552  -0.219
  314   2HG   ARG  45          1HG       ARG  45   0.501  12.276   1.483
  315   1HD   ARG  45          2HD       ARG  45   3.300  12.382   0.383
  316   2HD   ARG  45          1HD       ARG  45   2.462  13.774   1.070
  317    HE   ARG  45           HE       ARG  45   2.323  11.749   2.961
  318   1HH1  ARG  45          2HH1      ARG  45   4.845  13.555   1.331
  319   2HH1  ARG  45          1HH1      ARG  45   5.935  13.509   2.690
  320   1HH2  ARG  45          2HH2      ARG  45   3.739  11.705   4.752
  321   2HH2  ARG  45          1HH2      ARG  45   5.291  12.486   4.653
  322    H    ARG  46           H        ARG  46   2.758   9.129  -0.620
  323    HA   ARG  46           HA       ARG  46   2.908   8.908  -3.544
  324   1HB   ARG  46          2HB       ARG  46   5.019   9.046  -1.398
  325   2HB   ARG  46          1HB       ARG  46   5.384   8.633  -3.069
  326   1HG   ARG  46          2HG       ARG  46   3.809  11.007  -3.010
  327   2HG   ARG  46          1HG       ARG  46   5.178  11.180  -1.913
  328   1HD   ARG  46          2HD       ARG  46   5.702  11.932  -4.205
  329   2HD   ARG  46          1HD       ARG  46   6.715  10.580  -3.696
  330    HE   ARG  46           HE       ARG  46   4.445  10.404  -5.583
  331   1HH1  ARG  46          2HH1      ARG  46   7.459   9.130  -4.282
  332   2HH1  ARG  46          1HH1      ARG  46   7.555   7.859  -5.470
  333   1HH2  ARG  46          2HH2      ARG  46   4.614   8.728  -7.138
  334   2HH2  ARG  46          1HH2      ARG  46   5.974   7.643  -7.075
  335    H    LEU  47           H        LEU  47   4.877   7.060  -3.841
  336    HA   LEU  47           HA       LEU  47   4.423   4.779  -2.191
  337   1HB   LEU  47          2HB       LEU  47   2.531   4.755  -3.929
  338   2HB   LEU  47          1HB       LEU  47   3.782   4.365  -5.097
  339    HG   LEU  47           HG       LEU  47   4.230   2.549  -3.060
  340   1HD1  LEU  47          1HD1      LEU  47   1.574   1.738  -3.350
  341   2HD1  LEU  47          2HD1      LEU  47   2.380   2.275  -1.877
  342   3HD1  LEU  47          3HD1      LEU  47   1.507   3.437  -2.880
  343   1HD2  LEU  47          1HD2      LEU  47   2.457   1.564  -5.149
  344   2HD2  LEU  47          2HD2      LEU  47   3.796   2.534  -5.766
  345   3HD2  LEU  47          3HD2      LEU  47   4.121   1.120  -4.763
  346    H    TYR  48           H        TYR  48   5.997   3.192  -2.445
  347    HA   TYR  48           HA       TYR  48   8.163   3.814  -4.325
  348   1HB   TYR  48          2HB       TYR  48   8.223   3.873  -1.442
  349   2HB   TYR  48          1HB       TYR  48   9.321   2.636  -2.043
  350    HD1  TYR  48           1HD      TYR  48   9.784   5.468  -0.637
  351    HD2  TYR  48           2HD      TYR  48  10.088   3.992  -4.626
  352    HE1  TYR  48           1HE      TYR  48  11.467   7.190  -1.154
  353    HE2  TYR  48           2HE      TYR  48  11.754   5.712  -5.147
  354    HH   TYR  48           HH       TYR  48  12.204   8.380  -3.574
  355    H    TYR  49           H        TYR  49   8.492   2.158  -5.632
  356    HA   TYR  49           HA       TYR  49   8.785  -0.500  -4.622
  357   1HB   TYR  49          2HB       TYR  49   6.963  -1.583  -5.536
  358   2HB   TYR  49          1HB       TYR  49   6.227  -0.050  -5.078
  359    HD1  TYR  49           1HD      TYR  49   6.001   1.736  -6.906
  360    HD2  TYR  49           2HD      TYR  49   6.829  -2.356  -7.734
  361    HE1  TYR  49           1HE      TYR  49   5.203   2.049  -9.209
  362    HE2  TYR  49           2HE      TYR  49   6.031  -2.051 -10.043
  363    HH   TYR  49           HH       TYR  49   5.676  -0.354 -11.652
  364    H    LYS  50           H        LYS  50   9.560  -1.979  -6.304
  365    HA   LYS  50           HA       LYS  50  11.074  -0.493  -8.328
  366   1HB   LYS  50          2HB       LYS  50  11.601  -2.825  -6.616
  367   2HB   LYS  50          1HB       LYS  50  12.143  -3.003  -8.275
  368   1HG   LYS  50          2HG       LYS  50  12.842  -0.458  -6.967
  369   2HG   LYS  50          1HG       LYS  50  13.623  -1.904  -6.320
  370   1HD   LYS  50          2HD       LYS  50  13.695  -2.029  -9.163
  371   2HD   LYS  50          1HD       LYS  50  14.277  -0.441  -8.658
  372   1HE   LYS  50          2HE       LYS  50  15.934  -1.439  -7.233
  373   2HE   LYS  50          1HE       LYS  50  15.276  -3.052  -7.531
  374   1HZ   LYS  50          1HZ       LYS  50  16.510  -3.234  -9.348
  375   2HZ   LYS  50          2HZ       LYS  50  17.268  -1.771  -8.946
  376   3HZ   LYS  50          3HZ       LYS  50  15.920  -1.771  -9.977
  377    H    LEU  51           H        LEU  51  11.501  -1.680 -10.352
  378    HA   LEU  51           HA       LEU  51   9.541  -1.910 -12.035
  379   1HB   LEU  51          2HB       LEU  51  10.834  -3.270 -13.473
  380   2HB   LEU  51          1HB       LEU  51  11.934  -2.275 -12.543
  381    HG   LEU  51           HG       LEU  51  11.347  -5.123 -11.772
  382   1HD1  LEU  51          1HD1      LEU  51  12.856  -4.129 -14.052
  383   2HD1  LEU  51          2HD1      LEU  51  13.820  -5.139 -12.973
  384   3HD1  LEU  51          3HD1      LEU  51  12.325  -5.766 -13.667
  385   1HD2  LEU  51          1HD2      LEU  51  13.224  -3.008 -10.921
  386   2HD2  LEU  51          2HD2      LEU  51  12.493  -4.321  -9.998
  387   3HD2  LEU  51          3HD2      LEU  51  13.884  -4.639 -11.038
  388    H    GLY  52           H        GLY  52  10.423  -4.830 -10.155
  389   1HA   GLY  52          1HA       GLY  52   7.679  -5.784 -10.663
  390   2HA   GLY  52          2HA       GLY  52   9.051  -6.854 -10.919
  391    H    ARG  53           H        ARG  53   9.286  -4.619  -8.322
  392    HA   ARG  53           HA       ARG  53   8.494  -6.717  -6.419
  393   1HB   ARG  53          2HB       ARG  53  10.907  -4.958  -5.997
  394   2HB   ARG  53          1HB       ARG  53  10.416  -6.356  -5.054
  395   1HG   ARG  53          2HG       ARG  53  10.767  -7.280  -7.676
  396   2HG   ARG  53          1HG       ARG  53  12.122  -6.209  -7.342
  397   1HD   ARG  53          2HD       ARG  53  11.659  -7.818  -5.044
  398   2HD   ARG  53          1HD       ARG  53  11.701  -8.873  -6.456
  399    HE   ARG  53           HE       ARG  53  13.875  -7.558  -6.935
  400   1HH1  ARG  53          2HH1      ARG  53  12.701  -8.595  -3.806
  401   2HH1  ARG  53          1HH1      ARG  53  14.282  -8.635  -3.073
  402   1HH2  ARG  53          2HH2      ARG  53  15.956  -7.637  -5.998
  403   2HH2  ARG  53          1HH2      ARG  53  16.140  -8.100  -4.325
  404    H    LYS  54           H        LYS  54   7.253  -6.028  -4.798
  405    HA   LYS  54           HA       LYS  54   6.792  -3.152  -4.479
  406   1HB   LYS  54          2HB       LYS  54   5.228  -4.204  -2.575
  407   2HB   LYS  54          1HB       LYS  54   4.706  -4.053  -4.246
  408   1HG   LYS  54          2HG       LYS  54   4.570  -6.258  -4.515
  409   2HG   LYS  54          1HG       LYS  54   6.115  -6.544  -3.712
  410   1HD   LYS  54          2HD       LYS  54   3.797  -5.737  -2.034
  411   2HD   LYS  54          1HD       LYS  54   3.821  -7.378  -2.682
  412   1HE   LYS  54          2HE       LYS  54   6.249  -6.284  -1.331
  413   2HE   LYS  54          1HE       LYS  54   4.896  -6.872  -0.360
  414   1HZ   LYS  54          1HZ       LYS  54   6.909  -8.390  -1.427
  415   2HZ   LYS  54          2HZ       LYS  54   5.586  -8.700  -2.444
  416   3HZ   LYS  54          3HZ       LYS  54   5.450  -8.965  -0.773
  417    H    LEU  55           H        LEU  55   9.199  -3.382  -3.939
  418    HA   LEU  55           HA       LEU  55   9.607  -4.067  -1.122
  419   1HB   LEU  55          2HB       LEU  55  11.474  -5.045  -1.821
  420   2HB   LEU  55          1HB       LEU  55  11.079  -4.603  -3.467
  421    HG   LEU  55           HG       LEU  55  12.438  -2.546  -1.808
  422   1HD1  LEU  55          1HD1      LEU  55  13.797  -4.337  -1.159
  423   2HD1  LEU  55          2HD1      LEU  55  13.696  -5.105  -2.743
  424   3HD1  LEU  55          3HD1      LEU  55  14.633  -3.624  -2.539
  425   1HD2  LEU  55          1HD2      LEU  55  12.650  -3.468  -4.673
  426   2HD2  LEU  55          2HD2      LEU  55  11.812  -2.033  -4.083
  427   3HD2  LEU  55          3HD2      LEU  55  13.571  -2.135  -3.969
  428    H    CYS  56           H        CYS  56  10.503  -2.611   0.302
  429    HA   CYS  56           HA       CYS  56   9.775   0.071  -0.141
  430   1HB   CYS  56          2HB       CYS  56  11.546  -0.929   2.079
  431   2HB   CYS  56          1HB       CYS  56  10.453   0.454   2.100
  432    H    ARG  57           H        ARG  57  11.212   1.911   0.318
  433    HA   ARG  57           HA       ARG  57  13.507   1.913  -1.408
  434   1HB   ARG  57          2HB       ARG  57  12.389   3.994  -1.254
  435   2HB   ARG  57          1HB       ARG  57  12.342   3.931   0.502
  436   1HG   ARG  57          2HG       ARG  57  14.150   5.218   0.519
  437   2HG   ARG  57          1HG       ARG  57  15.057   3.865  -0.160
  438   1HD   ARG  57          2HD       ARG  57  14.201   4.667  -2.423
  439   2HD   ARG  57          1HD       ARG  57  13.742   6.152  -1.588
  440    HE   ARG  57           HE       ARG  57  16.464   5.491  -1.087
  441   1HH1  ARG  57          2HH1      ARG  57  14.325   6.962  -3.441
  442   2HH1  ARG  57          1HH1      ARG  57  15.609   7.776  -4.291
  443   1HH2  ARG  57          2HH2      ARG  57  18.155   6.587  -2.197
  444   2HH2  ARG  57          1HH2      ARG  57  17.768   7.569  -3.577
  445    H    ARG  58           H        ARG  58  12.880   1.613   2.015
  446    HA   ARG  58           HA       ARG  58  15.633   1.787   2.784
  447   1HB   ARG  58          2HB       ARG  58  13.271   0.646   4.282
  448   2HB   ARG  58          1HB       ARG  58  14.850   0.992   4.975
  449   1HG   ARG  58          2HG       ARG  58  12.663   2.839   4.206
  450   2HG   ARG  58          1HG       ARG  58  13.734   2.870   5.606
  451   1HD   ARG  58          2HD       ARG  58  15.371   4.018   4.499
  452   2HD   ARG  58          1HD       ARG  58  14.939   3.334   2.933
  453    HE   ARG  58           HE       ARG  58  12.850   4.993   3.808
  454   1HH1  ARG  58          2HH1      ARG  58  16.153   5.218   2.672
  455   2HH1  ARG  58          1HH1      ARG  58  15.959   6.800   1.988
  456   1HH2  ARG  58          2HH2      ARG  58  12.580   7.086   2.930
  457   2HH2  ARG  58          1HH2      ARG  58  13.913   7.873   2.134
  458    H    ASP  59           H        ASP  59  13.471  -0.743   1.790
  459    HA   ASP  59           HA       ASP  59  15.152  -2.950   2.502
  460   1HB   ASP  59          2HB       ASP  59  12.782  -2.586   0.704
  461   2HB   ASP  59          1HB       ASP  59  13.748  -4.037   0.548
  462    H    TYR  60           H        TYR  60  14.561  -1.066  -0.399
  463    HA   TYR  60           HA       TYR  60  16.479  -2.346  -2.038
  464   1HB   TYR  60          2HB       TYR  60  15.046  -1.207  -3.368
  465   2HB   TYR  60          1HB       TYR  60  14.675  -0.029  -2.123
  466    HD1  TYR  60           1HD      TYR  60  16.666  -0.797  -5.040
  467    HD2  TYR  60           2HD      TYR  60  16.040   2.025  -1.916
  468    HE1  TYR  60           1HE      TYR  60  17.906   0.886  -6.332
  469    HE2  TYR  60           2HE      TYR  60  17.290   3.719  -3.190
  470    HH   TYR  60           HH       TYR  60  18.669   2.983  -6.391
  471    H    LEU  61           H        LEU  61  16.590   0.222   0.295
  472    HA   LEU  61           HA       LEU  61  19.212   1.182  -0.338
  473   1HB   LEU  61          2HB       LEU  61  17.111   2.127   1.097
  474   2HB   LEU  61          1HB       LEU  61  18.148   1.552   2.389
  475    HG   LEU  61           HG       LEU  61  19.983   2.998   1.407
  476   1HD1  LEU  61          1HD1      LEU  61  19.621   4.412  -0.323
  477   2HD1  LEU  61          2HD1      LEU  61  18.457   3.167  -0.777
  478   3HD1  LEU  61          3HD1      LEU  61  17.911   4.620   0.060
  479   1HD2  LEU  61          1HD2      LEU  61  19.341   4.201   3.161
  480   2HD2  LEU  61          2HD2      LEU  61  18.299   5.115   2.074
  481   3HD2  LEU  61          3HD2      LEU  61  17.658   3.728   2.953
  482    H    ARG  62           H        ARG  62  17.978  -1.521   1.357
  483    HA   ARG  62           HA       ARG  62  20.164  -1.795   3.199
  484   1HB   ARG  62          2HB       ARG  62  17.587  -2.910   2.869
  485   2HB   ARG  62          1HB       ARG  62  18.730  -4.245   2.818
  486   1HG   ARG  62          2HG       ARG  62  18.636  -4.213   5.036
  487   2HG   ARG  62          1HG       ARG  62  19.617  -2.747   4.949
  488   1HD   ARG  62          2HD       ARG  62  17.296  -1.585   4.614
  489   2HD   ARG  62          1HD       ARG  62  16.680  -3.051   5.379
  490    HE   ARG  62           HE       ARG  62  18.770  -1.411   6.671
  491   1HH1  ARG  62          2HH1      ARG  62  15.602  -2.938   6.720
  492   2HH1  ARG  62          1HH1      ARG  62  15.336  -2.587   8.404
  493   1HH2  ARG  62          2HH2      ARG  62  18.393  -0.942   8.873
  494   2HH2  ARG  62          1HH2      ARG  62  16.901  -1.468   9.617
  495    H    LEU  63           H        LEU  63  19.571  -2.744  -0.045
  496    HA   LEU  63           HA       LEU  63  21.887  -4.562   0.048
  497   1HB   LEU  63          2HB       LEU  63  20.721  -5.442  -2.155
  498   2HB   LEU  63          1HB       LEU  63  20.289  -6.054  -0.571
  499    HG   LEU  63           HG       LEU  63  18.627  -3.814  -1.097
  500   1HD1  LEU  63          1HD1      LEU  63  18.106  -3.874  -3.248
  501   2HD1  LEU  63          2HD1      LEU  63  19.411  -5.033  -3.504
  502   3HD1  LEU  63          3HD1      LEU  63  17.777  -5.604  -3.160
  503   1HD2  LEU  63          1HD2      LEU  63  18.303  -5.968   0.261
  504   2HD2  LEU  63          2HD2      LEU  63  16.917  -5.308  -0.607
  505   3HD2  LEU  63          3HD2      LEU  63  17.797  -6.685  -1.270
  506    H    GLY  64           H        GLY  64  20.116  -2.220  -1.935
  507   1HA   GLY  64          1HA       GLY  64  22.644  -1.690  -3.359
  508   2HA   GLY  64          2HA       GLY  64  21.098  -1.740  -4.194
  509    H    GLY  65           H        GLY  65  21.808  -0.308  -1.040
  510   1HA   GLY  65          1HA       GLY  65  21.270   2.326  -2.251
  511   2HA   GLY  65          2HA       GLY  65  20.581   1.860  -0.699
  512    H    SER  66           H        SER  66  21.657   2.440   1.037
  513    HA   SER  66           HA       SER  66  24.558   2.635   0.951
  514   1HB   SER  66          2HB       SER  66  22.889   4.929   2.004
  515   2HB   SER  66          1HB       SER  66  24.644   4.862   1.868
  516    HG   SER  66           HG       SER  66  22.931   5.744   0.077
  517    H    GLY  67           H        GLY  67  22.085   1.224   2.375
  518   1HA   GLY  67          1HA       GLY  67  23.025   1.718   5.124
  519   2HA   GLY  67          2HA       GLY  67  21.452   1.068   4.696
  520    H    GLY  68           H        GLY  68  21.256  -0.968   5.295
  521   1HA   GLY  68          1HA       GLY  68  21.781  -3.278   5.233
  522   2HA   GLY  68          2HA       GLY  68  23.415  -2.869   4.722
  523    H    HIS  69           H        HIS  69  21.661  -1.404   7.384
  524    HA   HIS  69           HA       HIS  69  23.563  -2.642   9.276
  525   1HB   HIS  69          2HB       HIS  69  22.526   0.205   9.348
  526   2HB   HIS  69          1HB       HIS  69  23.583  -0.533  10.543
  527    HD2  HIS  69           2HD      HIS  69  23.737   1.237   7.149
  528    HE1  HIS  69           1HE      HIS  69  27.654   0.009   8.181
  529    HE2  HIS  69           2HE      HIS  69  26.243   1.245   6.471
  530    H    MET  70           H        MET  70  22.585  -1.770  11.627
  531    HA   MET  70           HA       MET  70  19.910  -2.964  11.692
  532   1HB   MET  70          2HB       MET  70  21.883  -2.436  13.926
  533   2HB   MET  70          1HB       MET  70  20.299  -3.173  14.135
  534   1HG   MET  70          2HG       MET  70  21.562  -4.658  12.135
  535   2HG   MET  70          1HG       MET  70  22.788  -4.370  13.367
  536   1HE   MET  70          1HE       MET  70  21.667  -7.902  13.551
  537   2HE   MET  70          2HE       MET  70  20.119  -7.454  12.837
  538   3HE   MET  70          3HE       MET  70  21.617  -6.803  12.173
  539    H    GLY  71           H        GLY  71  21.737  -0.186  12.934
  540   1HA   GLY  71          1HA       GLY  71  19.462   1.146  14.024
  541   2HA   GLY  71          2HA       GLY  71  21.042   1.859  13.727
  542    H    SER  72           H        SER  72  17.826   1.771  12.783
  543    HA   SER  72           HA       SER  72  18.425   2.881  10.128
  544   1HB   SER  72          2HB       SER  72  15.618   2.399  10.645
  545   2HB   SER  72          1HB       SER  72  16.659   1.703   9.402
  546    HG   SER  72           HG       SER  72  17.463   0.398  11.352
  547    H    GLY  73           H        GLY  73  17.117   4.705   9.397
  548   1HA   GLY  73          1HA       GLY  73  15.640   6.539   9.888
  549   2HA   GLY  73          2HA       GLY  73  16.120   6.419  11.575
  550    H    GLY  74           H        GLY  74  16.498   8.744  11.394
  551   1HA   GLY  74          1HA       GLY  74  18.901   9.486   9.888
  552   2HA   GLY  74          2HA       GLY  74  17.814  10.598  10.710
  553    H    ASP  75           H        ASP  75  20.760  10.308  10.898
  554    HA   ASP  75           HA       ASP  75  21.336   9.037  13.382
  555   1HB   ASP  75          2HB       ASP  75  22.968   9.490  11.473
  556   2HB   ASP  75          1HB       ASP  75  23.051  11.143  12.073
  557    H    VAL  76           H        VAL  76  20.111   9.827  15.017
  558    HA   VAL  76           HA       VAL  76  20.821  12.499  15.967
  559    HB   VAL  76           HB       VAL  76  18.460  12.278  14.772
  560   1HG1  VAL  76          1HG1      VAL  76  17.680  11.596  17.593
  561   2HG1  VAL  76          2HG1      VAL  76  16.654  11.687  16.160
  562   3HG1  VAL  76          3HG1      VAL  76  17.826  10.378  16.325
  563   1HG2  VAL  76          1HG2      VAL  76  17.718  14.177  15.981
  564   2HG2  VAL  76          2HG2      VAL  76  18.653  13.718  17.405
  565   3HG2  VAL  76          3HG2      VAL  76  19.481  14.257  15.944
  566    H    MET  77           H        MET  77  20.254  12.761  18.306
  567    HA   MET  77           HA       MET  77  21.394  10.818  19.879
  568   1HB   MET  77          2HB       MET  77  19.456  13.013  20.581
  569   2HB   MET  77          1HB       MET  77  20.210  11.990  21.798
  570   1HG   MET  77          2HG       MET  77  22.412  12.699  20.603
  571   2HG   MET  77          1HG       MET  77  21.432  14.035  20.027
  572   1HE   MET  77          1HE       MET  77  20.294  15.702  23.389
  573   2HE   MET  77          2HE       MET  77  20.503  16.028  21.669
  574   3HE   MET  77          3HE       MET  77  19.487  14.685  22.195
  575    H    VAL  78           H        VAL  78  20.745   8.954  20.768
  576    HA   VAL  78           HA       VAL  78  18.186   7.885  20.052
  577    HB   VAL  78           HB       VAL  78  20.268   6.703  21.903
  578   1HG1  VAL  78          1HG1      VAL  78  17.819   5.828  21.855
  579   2HG1  VAL  78          2HG1      VAL  78  18.288   5.134  20.303
  580   3HG1  VAL  78          3HG1      VAL  78  19.154   4.678  21.769
  581   1HG2  VAL  78          1HG2      VAL  78  19.945   5.778  19.104
  582   2HG2  VAL  78          2HG2      VAL  78  20.780   7.308  19.370
  583   3HG2  VAL  78          3HG2      VAL  78  21.386   5.831  20.121
  584    H    VAL  79           H        VAL  79  16.507   8.853  21.068
  585    HA   VAL  79           HA       VAL  79  16.549   8.907  24.012
  586    HB   VAL  79           HB       VAL  79  14.312  10.355  23.111
  587   1HG1  VAL  79          1HG1      VAL  79  16.750  11.821  23.923
  588   2HG1  VAL  79          2HG1      VAL  79  15.100  11.931  24.537
  589   3HG1  VAL  79          3HG1      VAL  79  16.141  10.597  25.038
  590   1HG2  VAL  79          1HG2      VAL  79  15.126  10.695  20.934
  591   2HG2  VAL  79          2HG2      VAL  79  15.532  12.171  21.809
  592   3HG2  VAL  79          3HG2      VAL  79  16.776  10.959  21.501
  593    H    GLY  80           H        GLY  80  15.468   7.121  21.487
  594   1HA   GLY  80          1HA       GLY  80  14.074   5.213  21.724
  595   2HA   GLY  80          2HA       GLY  80  13.274   5.996  23.082
  596    H    GLU  81           H        GLU  81  13.970   7.206  19.839
  597    HA   GLU  81           HA       GLU  81  11.101   7.789  19.538
  598   1HB   GLU  81          2HB       GLU  81  13.593   9.253  18.790
  599   2HB   GLU  81          1HB       GLU  81  12.174   9.458  17.774
  600   1HG   GLU  81          2HG       GLU  81  11.924   9.797  20.723
  601   2HG   GLU  81          1HG       GLU  81  12.630  11.087  19.752
  602    HA   PRO  82           HA       PRO  82  10.952   5.312  15.839
  603   1HB   PRO  82          2HB       PRO  82   9.229   7.294  14.551
  604   2HB   PRO  82          1HB       PRO  82   8.833   5.664  15.096
  605   1HG   PRO  82          2HG       PRO  82   7.871   7.870  16.319
  606   2HG   PRO  82          1HG       PRO  82   8.221   6.367  17.198
  607   1HD   PRO  82          2HD       PRO  82   9.848   8.880  17.008
  608   2HD   PRO  82          1HD       PRO  82   9.526   7.849  18.418
  609    H    THR  83           H        THR  83  11.348   5.416  13.475
  610    HA   THR  83           HA       THR  83  12.754   5.884  11.776
  611    HB   THR  83           HB       THR  83  12.602   8.792  11.972
  612    HG1  THR  83           1HG      THR  83  10.154   7.371  11.631
  613   1HG2  THR  83          1HG2      THR  83  11.848   6.657  10.002
  614   2HG2  THR  83          2HG2      THR  83  13.202   7.786   9.920
  615   3HG2  THR  83          3HG2      THR  83  11.551   8.370   9.703
  616    H    LEU  84           H        LEU  84  13.605   8.996  13.083
  617    HA   LEU  84           HA       LEU  84  16.246   8.790  12.553
  618   1HB   LEU  84          2HB       LEU  84  15.141  10.388  14.841
  619   2HB   LEU  84          1HB       LEU  84  16.560  10.744  13.879
  620    HG   LEU  84           HG       LEU  84  15.071  12.210  12.993
  621   1HD1  LEU  84          1HD1      LEU  84  13.891  10.900  10.968
  622   2HD1  LEU  84          2HD1      LEU  84  15.580  11.405  10.976
  623   3HD1  LEU  84          3HD1      LEU  84  15.152   9.752  11.420
  624   1HD2  LEU  84          1HD2      LEU  84  12.617  11.236  12.482
  625   2HD2  LEU  84          2HD2      LEU  84  13.046  10.313  13.922
  626   3HD2  LEU  84          3HD2      LEU  84  13.058  12.075  13.969
  627    H    MET  85           H        MET  85  17.310   6.958  13.202
  628    HA   MET  85           HA       MET  85  18.232   7.041  15.948
  629   1HB   MET  85          2HB       MET  85  16.399   5.181  15.440
  630   2HB   MET  85          1HB       MET  85  17.807   4.318  14.836
  631   1HG   MET  85          2HG       MET  85  18.487   3.840  16.890
  632   2HG   MET  85          1HG       MET  85  18.345   5.519  17.400
  633   1HE   MET  85          1HE       MET  85  16.354   2.683  16.146
  634   2HE   MET  85          2HE       MET  85  16.007   1.931  17.703
  635   3HE   MET  85          3HE       MET  85  14.762   2.871  16.880
  636    H    GLY  86           H        GLY  86  18.595   5.491  12.766
  637   1HA   GLY  86          1HA       GLY  86  21.521   5.550  13.177
  638   2HA   GLY  86          2HA       GLY  86  20.682   4.243  12.360
  639    H    GLY  87           H        GLY  87  20.366   4.369  10.164
  640   1HA   GLY  87          1HA       GLY  87  20.968   6.939   8.849
  641   2HA   GLY  87          2HA       GLY  87  21.961   5.538   8.472
  642    H    GLU  88           H        GLU  88  19.608   3.702   8.568
  643    HA   GLU  88           HA       GLU  88  18.713   4.212   5.860
  644   1HB   GLU  88          2HB       GLU  88  17.858   1.896   7.575
  645   2HB   GLU  88          1HB       GLU  88  17.987   1.978   5.822
  646   1HG   GLU  88          2HG       GLU  88  20.227   1.619   5.821
  647   2HG   GLU  88          1HG       GLU  88  20.461   2.395   7.386
  648    H    PHE  89           H        PHE  89  17.360   5.889   5.987
  649    HA   PHE  89           HA       PHE  89  15.690   6.563   8.015
  650   1HB   PHE  89          2HB       PHE  89  15.208   7.334   5.144
  651   2HB   PHE  89          1HB       PHE  89  14.868   8.282   6.595
  652    HD1  PHE  89           1HD      PHE  89  16.968   8.657   8.143
  653    HD2  PHE  89           2HD      PHE  89  17.140   7.821   3.967
  654    HE1  PHE  89           1HE      PHE  89  19.227   9.641   8.039
  655    HE2  PHE  89           2HE      PHE  89  19.381   8.830   3.857
  656    HZ   PHE  89           HZ       PHE  89  20.428   9.742   5.892
  657    H    GLY  90           H        GLY  90  13.246   7.320   6.588
  658   1HA   GLY  90          1HA       GLY  90  11.845   4.765   7.019
  659   2HA   GLY  90          2HA       GLY  90  11.220   6.336   7.493
  660    H    ASP  91           H        ASP  91   9.792   7.266   6.167
  661    HA   ASP  91           HA       ASP  91   9.628   6.183   3.445
  662   1HB   ASP  91          2HB       ASP  91   7.140   6.525   3.691
  663   2HB   ASP  91          1HB       ASP  91   7.831   5.271   4.705
  664    H    GLU  92           H        GLU  92   7.289   8.470   4.232
  665    HA   GLU  92           HA       GLU  92   6.878  10.633   3.686
  666   1HB   GLU  92          2HB       GLU  92   9.828  10.649   3.591
  667   2HB   GLU  92          1HB       GLU  92   9.028  11.875   2.613
  668   1HG   GLU  92          2HG       GLU  92   8.508  11.413   5.538
  669   2HG   GLU  92          1HG       GLU  92   9.599  12.640   4.889
  670    H    ASP  93           H        ASP  93   9.009   8.926   1.454
  671    HA   ASP  93           HA       ASP  93   7.179   9.699  -0.726
  672   1HB   ASP  93          2HB       ASP  93   9.877  10.260  -0.580
  673   2HB   ASP  93          1HB       ASP  93   9.844   8.785  -1.540
  674    H    GLU  94           H        GLU  94   7.888   7.306   1.277
  675    HA   GLU  94           HA       GLU  94   8.345   5.116  -0.492
  676   1HB   GLU  94          2HB       GLU  94   7.868   5.416   2.433
  677   2HB   GLU  94          1HB       GLU  94   7.732   3.823   1.703
  678   1HG   GLU  94          2HG       GLU  94  10.136   5.164   0.852
  679   2HG   GLU  94          1HG       GLU  94  10.038   5.065   2.609
  680    H    ARG  95           H        ARG  95   6.765   3.123   0.605
  681    HA   ARG  95           HA       ARG  95   4.546   3.238  -1.123
  682   1HB   ARG  95          2HB       ARG  95   5.959   1.251  -0.026
  683   2HB   ARG  95          1HB       ARG  95   4.599   1.244   1.084
  684   1HG   ARG  95          2HG       ARG  95   3.380   0.101  -0.361
  685   2HG   ARG  95          1HG       ARG  95   3.614   1.339  -1.595
  686   1HD   ARG  95          2HD       ARG  95   4.415  -0.715  -2.494
  687   2HD   ARG  95          1HD       ARG  95   5.826   0.273  -2.113
  688    HE   ARG  95           HE       ARG  95   4.944  -2.136  -0.700
  689   1HH1  ARG  95          2HH1      ARG  95   7.330   0.367  -1.208
  690   2HH1  ARG  95          1HH1      ARG  95   8.466  -0.306  -0.084
  691   1HH2  ARG  95          2HH2      ARG  95   6.497  -3.083   0.708
  692   2HH2  ARG  95          1HH2      ARG  95   7.990  -2.249   1.021
  693    H    LEU  96           H        LEU  96   3.589   5.262  -0.235
  694    HA   LEU  96           HA       LEU  96   1.968   4.866   2.171
  695   1HB   LEU  96          2HB       LEU  96   2.275   7.332   0.462
  696   2HB   LEU  96          1HB       LEU  96   1.503   7.239   2.034
  697    HG   LEU  96           HG       LEU  96   4.291   6.331   2.028
  698   1HD1  LEU  96          1HD1      LEU  96   4.058   8.333   0.353
  699   2HD1  LEU  96          2HD1      LEU  96   3.933   9.280   1.835
  700   3HD1  LEU  96          3HD1      LEU  96   5.365   8.294   1.535
  701   1HD2  LEU  96          1HD2      LEU  96   4.203   8.139   3.921
  702   2HD2  LEU  96          2HD2      LEU  96   2.461   7.980   3.700
  703   3HD2  LEU  96          3HD2      LEU  96   3.427   6.569   4.137
  704    H    ILE  97           H        ILE  97   0.717   3.248   1.066
  705    HA   ILE  97           HA       ILE  97  -0.746   3.752  -1.276
  706    HB   ILE  97           HB       ILE  97  -2.150   1.826   0.269
  707   1HG1  ILE  97          2HG1      ILE  97   0.389   0.547   0.181
  708   2HG1  ILE  97          1HG1      ILE  97   0.579   2.047   1.084
  709   1HG2  ILE  97          1HG2      ILE  97  -1.092   2.150  -2.281
  710   2HG2  ILE  97          2HG2      ILE  97  -0.302   0.710  -1.639
  711   3HG2  ILE  97          3HG2      ILE  97  -2.063   0.802  -1.692
  712   1HD1  ILE  97          1HD1      ILE  97  -1.672   0.187   1.699
  713   2HD1  ILE  97          2HD1      ILE  97  -0.055  -0.109   2.338
  714   3HD1  ILE  97          3HD1      ILE  97  -0.898   1.388   2.734
  715    H    THR  98           H        THR  98  -2.991   4.016  -1.570
  716    HA   THR  98           HA       THR  98  -4.193   5.748   0.402
  717    HB   THR  98           HB       THR  98  -5.870   5.492  -1.845
  718    HG1  THR  98           1HG      THR  98  -3.109   5.792  -2.568
  719   1HG2  THR  98          1HG2      THR  98  -5.217   7.462  -0.385
  720   2HG2  THR  98          2HG2      THR  98  -5.382   7.785  -2.114
  721   3HG2  THR  98          3HG2      THR  98  -3.780   7.590  -1.396
  722    H    ARG  99           H        ARG  99  -5.322   4.775   1.912
  723    HA   ARG  99           HA       ARG  99  -6.452   2.161   1.623
  724   1HB   ARG  99          2HB       ARG  99  -7.050   4.240   3.743
  725   2HB   ARG  99          1HB       ARG  99  -7.336   2.510   3.855
  726   1HG   ARG  99          2HG       ARG  99  -4.599   2.885   3.255
  727   2HG   ARG  99          1HG       ARG  99  -5.016   3.989   4.564
  728   1HD   ARG  99          2HD       ARG  99  -4.563   1.175   4.663
  729   2HD   ARG  99          1HD       ARG  99  -4.869   2.295   5.987
  730    HE   ARG  99           HE       ARG  99  -7.347   1.811   5.037
  731   1HH1  ARG  99          2HH1      ARG  99  -4.714  -0.244   6.112
  732   2HH1  ARG  99          1HH1      ARG  99  -5.768  -1.558   6.562
  733   1HH2  ARG  99          2HH2      ARG  99  -8.719   0.096   5.653
  734   2HH2  ARG  99          1HH2      ARG  99  -8.041  -1.381   6.259
  735    H    LEU 100           H        LEU 100  -8.021   2.094   0.027
  736    HA   LEU 100           HA       LEU 100 -10.091   4.165   0.047
  737   1HB   LEU 100          2HB       LEU 100  -8.623   3.151  -2.001
  738   2HB   LEU 100          1HB       LEU 100 -10.075   2.175  -2.123
  739    HG   LEU 100           HG       LEU 100 -11.299   4.492  -2.043
  740   1HD1  LEU 100          1HD1      LEU 100  -9.180   5.717  -3.544
  741   2HD1  LEU 100          2HD1      LEU 100 -10.060   6.328  -2.142
  742   3HD1  LEU 100          3HD1      LEU 100  -8.627   5.327  -1.916
  743   1HD2  LEU 100          1HD2      LEU 100  -9.766   3.663  -4.506
  744   2HD2  LEU 100          2HD2      LEU 100 -11.247   2.893  -3.939
  745   3HD2  LEU 100          3HD2      LEU 100 -11.271   4.580  -4.447
  746    H    GLU 101           H        GLU 101 -12.212   3.183  -0.993
  747    HA   GLU 101           HA       GLU 101 -12.943   0.830   0.612
  748   1HB   GLU 101          2HB       GLU 101 -15.341   2.055   0.132
  749   2HB   GLU 101          1HB       GLU 101 -14.418   2.197   1.621
  750   1HG   GLU 101          2HG       GLU 101 -13.870   4.331   1.230
  751   2HG   GLU 101          1HG       GLU 101 -13.662   4.073  -0.499
  752    H    ASN 102           H        ASN 102 -14.494  -0.592  -0.316
  753    HA   ASN 102           HA       ASN 102 -14.140  -0.941  -3.150
  754   1HB   ASN 102          2HB       ASN 102 -14.451  -2.696  -1.164
  755   2HB   ASN 102          1HB       ASN 102 -16.148  -2.523  -1.610
  756   1HD2  ASN 102          1HD2      ASN 102 -14.640  -4.887  -1.811
  757   2HD2  ASN 102          2HD2      ASN 102 -14.524  -5.313  -3.494
  758    H    THR 103           H        THR 103 -15.879  -1.095  -4.692
  759    HA   THR 103           HA       THR 103 -17.775   0.997  -4.540
  760    HB   THR 103           HB       THR 103 -17.453  -1.347  -6.407
  761    HG1  THR 103           1HG      THR 103 -16.708   1.318  -6.301
  762   1HG2  THR 103          1HG2      THR 103 -19.215  -0.448  -7.807
  763   2HG2  THR 103          2HG2      THR 103 -19.519   0.845  -6.647
  764   3HG2  THR 103          3HG2      THR 103 -19.862  -0.829  -6.211
  765    H    GLN 104           H        GLN 104 -17.960  -2.473  -4.044
  766    HA   GLN 104           HA       GLN 104 -20.684  -2.215  -2.999
  767   1HB   GLN 104          2HB       GLN 104 -19.011  -4.664  -3.597
  768   2HB   GLN 104          1HB       GLN 104 -20.614  -4.709  -2.875
  769   1HG   GLN 104          2HG       GLN 104 -21.257  -3.321  -5.015
  770   2HG   GLN 104          1HG       GLN 104 -19.802  -4.077  -5.661
  771   1HE2  GLN 104          1HE2      GLN 104 -20.610  -6.317  -3.606
  772   2HE2  GLN 104          2HE2      GLN 104 -21.729  -7.266  -4.534
  773    H    PHE 105           H        PHE 105 -19.307  -0.843  -1.428
  774    HA   PHE 105           HA       PHE 105 -17.738  -2.207   0.509
  775   1HB   PHE 105          2HB       PHE 105 -17.094  -0.056   0.639
  776   2HB   PHE 105          1HB       PHE 105 -18.609   0.531  -0.025
  777    HD1  PHE 105           1HD      PHE 105 -16.957  -0.570   3.095
  778    HD2  PHE 105           2HD      PHE 105 -20.240   1.494   1.342
  779    HE1  PHE 105           1HE      PHE 105 -17.562   0.333   5.303
  780    HE2  PHE 105           2HE      PHE 105 -20.851   2.399   3.549
  781    HZ   PHE 105           HZ       PHE 105 -19.510   1.820   5.531
  782    H    ASP 106           H        ASP 106 -21.053  -1.568   0.075
  783    HA   ASP 106           HA       ASP 106 -22.749  -1.556   1.878
  784   1HB   ASP 106          2HB       ASP 106 -22.710  -3.122  -0.260
  785   2HB   ASP 106          1HB       ASP 106 -22.606  -4.379   0.963
  786    H    ALA 107           H        ALA 107 -21.065  -4.655   1.970
  787    HA   ALA 107           HA       ALA 107 -20.275  -5.947   3.664
  788   1HB   ALA 107          1HB       ALA 107 -19.726  -5.034   5.805
  789   2HB   ALA 107          2HB       ALA 107 -19.299  -3.846   4.573
  790   3HB   ALA 107          3HB       ALA 107 -20.764  -3.636   5.531
  791    H    ALA 108           H        ALA 108 -22.483  -6.753   2.926
  792    HA   ALA 108           HA       ALA 108 -24.763  -6.378   4.517
  793   1HB   ALA 108          1HB       ALA 108 -25.110  -8.857   3.364
  794   2HB   ALA 108          2HB       ALA 108 -25.521  -7.304   2.639
  795   3HB   ALA 108          3HB       ALA 108 -23.967  -8.059   2.285
  796    H    ASN 109           H        ASN 109 -22.006  -8.368   5.036
  797    HA   ASN 109           HA       ASN 109 -23.408  -9.736   7.243
  798   1HB   ASN 109          2HB       ASN 109 -22.809 -11.174   5.240
  799   2HB   ASN 109          1HB       ASN 109 -21.122 -10.902   5.654
  800   1HD2  ASN 109          1HD2      ASN 109 -20.780 -13.079   6.002
  801   2HD2  ASN 109          2HD2      ASN 109 -21.386 -13.896   7.418
  802    H    GLY 110           H        GLY 110 -22.223  -7.325   7.732
  803   1HA   GLY 110          1HA       GLY 110 -20.833  -6.400   9.330
  804   2HA   GLY 110          2HA       GLY 110 -20.272  -8.022   9.718
  805    H    ILE 111           H        ILE 111 -18.231  -8.502   9.206
  806    HA   ILE 111           HA       ILE 111 -16.812  -6.702   7.366
  807    HB   ILE 111           HB       ILE 111 -15.426  -8.904   8.850
  808   1HG1  ILE 111          2HG1      ILE 111 -15.631  -6.253  10.180
  809   2HG1  ILE 111          1HG1      ILE 111 -17.041  -7.301  10.286
  810   1HG2  ILE 111          1HG2      ILE 111 -13.678  -7.031   8.946
  811   2HG2  ILE 111          2HG2      ILE 111 -14.012  -7.755   7.371
  812   3HG2  ILE 111          3HG2      ILE 111 -14.707  -6.188   7.786
  813   1HD1  ILE 111          1HD1      ILE 111 -15.277  -7.394  12.147
  814   2HD1  ILE 111          2HD1      ILE 111 -15.904  -8.910  11.499
  815   3HD1  ILE 111          3HD1      ILE 111 -14.323  -8.321  10.989
  816    H    ASP 112           H        ASP 112 -18.668  -8.285   6.209
  817    HA   ASP 112           HA       ASP 112 -17.133  -9.736   4.276
  818   1HB   ASP 112          2HB       ASP 112 -17.334 -11.599   5.742
  819   2HB   ASP 112          1HB       ASP 112 -18.996 -11.193   6.158
  820    H    ASP 113           H        ASP 113 -18.198  -9.699   2.323
  821    HA   ASP 113           HA       ASP 113 -20.929  -8.590   2.402
  822   1HB   ASP 113          2HB       ASP 113 -18.955  -7.117   1.551
  823   2HB   ASP 113          1HB       ASP 113 -19.091  -8.091   0.088
  824    H    GLU 114           H        GLU 114 -22.023  -8.857   0.165
  825    HA   GLU 114           HA       GLU 114 -21.734 -11.686  -0.599
  826   1HB   GLU 114          2HB       GLU 114 -23.930 -10.747   0.409
  827   2HB   GLU 114          1HB       GLU 114 -24.149  -9.974  -1.153
  828   1HG   GLU 114          2HG       GLU 114 -23.625 -12.524  -1.903
  829   2HG   GLU 114          1HG       GLU 114 -24.458 -12.778  -0.368
  Start of MODEL    2
    1   1H    GLY   1          1H        GLY   1 -21.177  -3.226  -8.185
    2   2H    GLY   1          2H        GLY   1 -21.739  -3.957  -9.608
    3   3H    GLY   1          3H        GLY   1 -21.584  -2.275  -9.525
    4   1HA   GLY   1          2HA       GLY   1 -19.762  -3.111 -10.789
    5   2HA   GLY   1          1HA       GLY   1 -19.163  -2.538  -9.238
    6    H    SER   2           H        SER   2 -17.631  -4.275 -10.651
    7    HA   SER   2           HA       SER   2 -18.128  -6.957  -9.632
    8   1HB   SER   2          2HB       SER   2 -15.602  -6.566 -11.025
    9   2HB   SER   2          1HB       SER   2 -16.945  -7.637 -11.424
   10    HG   SER   2           HG       SER   2 -18.006  -5.726 -12.302
   11    H    LEU   3           H        LEU   3 -16.289  -8.112  -8.573
   12    HA   LEU   3           HA       LEU   3 -15.217  -6.499  -6.438
   13   1HB   LEU   3          2HB       LEU   3 -14.474  -9.341  -7.081
   14   2HB   LEU   3          1HB       LEU   3 -14.331  -8.520  -5.543
   15    HG   LEU   3           HG       LEU   3 -17.052  -8.823  -6.717
   16   1HD1  LEU   3          1HD1      LEU   3 -16.448 -11.037  -7.017
   17   2HD1  LEU   3          2HD1      LEU   3 -15.369 -11.039  -5.622
   18   3HD1  LEU   3          3HD1      LEU   3 -17.116 -11.036  -5.385
   19   1HD2  LEU   3          1HD2      LEU   3 -15.920  -7.948  -4.289
   20   2HD2  LEU   3          2HD2      LEU   3 -17.627  -8.092  -4.708
   21   3HD2  LEU   3          3HD2      LEU   3 -16.790  -9.444  -3.944
   22    H    LEU   4           H        LEU   4 -12.864  -6.613  -5.920
   23    HA   LEU   4           HA       LEU   4 -11.361  -6.115  -8.391
   24   1HB   LEU   4          2HB       LEU   4 -10.645  -5.190  -5.619
   25   2HB   LEU   4          1HB       LEU   4  -9.969  -4.636  -7.142
   26    HG   LEU   4           HG       LEU   4 -12.722  -4.137  -7.332
   27   1HD1  LEU   4          1HD1      LEU   4 -13.450  -3.942  -5.236
   28   2HD1  LEU   4          2HD1      LEU   4 -11.818  -4.038  -4.574
   29   3HD1  LEU   4          3HD1      LEU   4 -12.451  -2.493  -5.138
   30   1HD2  LEU   4          1HD2      LEU   4 -10.950  -1.933  -6.509
   31   2HD2  LEU   4          2HD2      LEU   4 -10.410  -2.878  -7.897
   32   3HD2  LEU   4          3HD2      LEU   4 -11.987  -2.090  -7.926
   33    H    THR   5           H        THR   5  -9.019  -6.604  -8.295
   34    HA   THR   5           HA       THR   5  -8.531  -9.048  -6.720
   35    HB   THR   5           HB       THR   5  -6.899  -9.417  -8.835
   36    HG1  THR   5           1HG      THR   5  -9.294  -8.267  -9.914
   37   1HG2  THR   5          1HG2      THR   5  -9.677 -10.330  -9.258
   38   2HG2  THR   5          2HG2      THR   5  -8.948 -10.731  -7.703
   39   3HG2  THR   5          3HG2      THR   5  -8.176 -11.253  -9.201
   40    H    CYS   6           H        CYS   6  -6.799  -9.011  -5.505
   41    HA   CYS   6           HA       CYS   6  -5.077  -6.709  -5.549
   42   1HB   CYS   6          2HB       CYS   6  -5.170  -7.138  -3.357
   43   2HB   CYS   6          1HB       CYS   6  -5.888  -8.720  -3.641
   44    H    GLY   7           H        GLY   7  -3.008  -6.634  -6.200
   45   1HA   GLY   7          1HA       GLY   7  -2.130  -8.775  -7.924
   46   2HA   GLY   7          2HA       GLY   7  -1.333  -7.227  -7.689
   47    H    GLY   8           H        GLY   8  -1.984  -8.594  -4.723
   48   1HA   GLY   8          1HA       GLY   8   0.828  -9.374  -4.455
   49   2HA   GLY   8          2HA       GLY   8  -0.274  -8.991  -3.142
   50    H    CYS   9           H        CYS   9  -2.402 -10.638  -3.676
   51    HA   CYS   9           HA       CYS   9  -1.159 -13.307  -3.511
   52   1HB   CYS   9          2HB       CYS   9  -2.782 -13.957  -1.869
   53   2HB   CYS   9          1HB       CYS   9  -2.063 -12.439  -1.345
   54    H    GLN  10           H        GLN  10  -3.521 -11.332  -4.978
   55    HA   GLN  10           HA       GLN  10  -4.961 -11.609  -6.691
   56   1HB   GLN  10          2HB       GLN  10  -2.997 -13.801  -7.065
   57   2HB   GLN  10          1HB       GLN  10  -4.467 -13.863  -8.029
   58   1HG   GLN  10          2HG       GLN  10  -3.316 -12.602  -9.464
   59   2HG   GLN  10          1HG       GLN  10  -3.728 -11.281  -8.373
   60   1HE2  GLN  10          1HE2      GLN  10  -1.768 -10.410  -9.441
   61   2HE2  GLN  10          2HE2      GLN  10  -0.230 -10.760  -8.705
   62    H    GLN  11           H        GLN  11  -5.613 -12.843  -4.027
   63    HA   GLN  11           HA       GLN  11  -7.310 -15.072  -4.815
   64   1HB   GLN  11          2HB       GLN  11  -7.509 -15.594  -2.562
   65   2HB   GLN  11          1HB       GLN  11  -5.886 -14.939  -2.668
   66   1HG   GLN  11          2HG       GLN  11  -6.354 -13.389  -1.165
   67   2HG   GLN  11          1HG       GLN  11  -7.743 -12.833  -2.095
   68   1HE2  GLN  11          1HE2      GLN  11  -9.774 -13.598  -1.601
   69   2HE2  GLN  11          2HE2      GLN  11 -10.123 -14.459  -0.137
   70    H    ASN  12           H        ASN  12  -7.710 -12.040  -5.388
   71    HA   ASN  12           HA       ASN  12  -9.493 -10.718  -5.852
   72   1HB   ASN  12          2HB       ASN  12 -10.716 -12.755  -6.479
   73   2HB   ASN  12          1HB       ASN  12 -11.170 -13.011  -4.797
   74   1HD2  ASN  12          1HD2      ASN  12 -12.926 -12.009  -4.006
   75   2HD2  ASN  12          2HD2      ASN  12 -13.899 -10.887  -4.908
   76    H    ILE  13           H        ILE  13 -10.130  -8.984  -4.773
   77    HA   ILE  13           HA       ILE  13  -9.951  -8.992  -1.885
   78    HB   ILE  13           HB       ILE  13 -10.714  -6.663  -3.619
   79   1HG1  ILE  13          2HG1      ILE  13  -7.913  -7.055  -2.678
   80   2HG1  ILE  13          1HG1      ILE  13  -8.445  -7.966  -4.087
   81   1HG2  ILE  13          1HG2      ILE  13 -10.643  -6.958  -0.880
   82   2HG2  ILE  13          2HG2      ILE  13  -9.101  -6.182  -1.252
   83   3HG2  ILE  13          3HG2      ILE  13 -10.614  -5.430  -1.764
   84   1HD1  ILE  13          1HD1      ILE  13  -8.939  -5.040  -4.020
   85   2HD1  ILE  13          2HD1      ILE  13  -7.301  -5.627  -4.328
   86   3HD1  ILE  13          3HD1      ILE  13  -8.626  -6.106  -5.391
   87    H    GLY  14           H        GLY  14 -11.636  -9.871  -0.894
   88   1HA   GLY  14          1HA       GLY  14 -14.343  -9.060  -1.752
   89   2HA   GLY  14          2HA       GLY  14 -13.965 -10.549  -0.886
   90    H    ASP  15           H        ASP  15 -12.181  -7.926   0.177
   91    HA   ASP  15           HA       ASP  15 -13.401  -7.928   2.758
   92   1HB   ASP  15          2HB       ASP  15 -11.140  -6.446   1.476
   93   2HB   ASP  15          1HB       ASP  15 -11.819  -5.818   2.972
   94    H    ARG  16           H        ARG  16 -13.499  -5.405   3.645
   95    HA   ARG  16           HA       ARG  16 -15.690  -4.247   2.080
   96   1HB   ARG  16          2HB       ARG  16 -16.291  -2.990   4.053
   97   2HB   ARG  16          1HB       ARG  16 -16.099  -4.680   4.491
   98   1HG   ARG  16          2HG       ARG  16 -14.873  -3.884   6.176
   99   2HG   ARG  16          1HG       ARG  16 -13.608  -3.710   4.957
  100   1HD   ARG  16          2HD       ARG  16 -13.844  -1.449   4.832
  101   2HD   ARG  16          1HD       ARG  16 -15.562  -1.498   5.214
  102    HE   ARG  16           HE       ARG  16 -14.417  -2.231   7.549
  103   1HH1  ARG  16          2HH1      ARG  16 -13.828   0.434   5.356
  104   2HH1  ARG  16          1HH1      ARG  16 -13.378   1.557   6.603
  105   1HH2  ARG  16          2HH2      ARG  16 -13.831  -0.765   9.217
  106   2HH2  ARG  16          1HH2      ARG  16 -13.355   0.862   8.802
  107    H    TYR  17           H        TYR  17 -12.427  -3.759   3.026
  108    HA   TYR  17           HA       TYR  17 -12.318  -1.272   1.489
  109   1HB   TYR  17          2HB       TYR  17 -12.392  -1.192   4.224
  110   2HB   TYR  17          1HB       TYR  17 -10.661  -1.297   3.931
  111    HD1  TYR  17           1HD      TYR  17  -9.462   0.638   3.479
  112    HD2  TYR  17           2HD      TYR  17 -13.672   0.633   2.907
  113    HE1  TYR  17           1HE      TYR  17  -9.400   3.054   3.033
  114    HE2  TYR  17           2HE      TYR  17 -13.617   3.043   2.455
  115    HH   TYR  17           HH       TYR  17 -10.840   4.726   1.767
  116    H    PHE  18           H        PHE  18 -10.166  -0.828   0.679
  117    HA   PHE  18           HA       PHE  18  -8.101  -2.790   1.159
  118   1HB   PHE  18          2HB       PHE  18  -7.954  -3.699  -1.021
  119   2HB   PHE  18          1HB       PHE  18  -9.645  -3.821  -0.560
  120    HD1  PHE  18           1HD      PHE  18  -7.474  -3.003  -3.129
  121    HD2  PHE  18           2HD      PHE  18 -11.098  -1.691  -1.331
  122    HE1  PHE  18           1HE      PHE  18  -8.102  -1.878  -5.219
  123    HE2  PHE  18           2HE      PHE  18 -11.732  -0.568  -3.418
  124    HZ   PHE  18           HZ       PHE  18 -10.235  -0.660  -5.367
  125    H    LEU  19           H        LEU  19  -6.292  -2.399  -0.557
  126    HA   LEU  19           HA       LEU  19  -5.877   0.516  -0.766
  127   1HB   LEU  19          2HB       LEU  19  -4.161  -1.687   0.213
  128   2HB   LEU  19          1HB       LEU  19  -3.367  -0.571  -0.877
  129    HG   LEU  19           HG       LEU  19  -4.845   0.421   1.551
  130   1HD1  LEU  19          1HD1      LEU  19  -1.988   0.280   1.900
  131   2HD1  LEU  19          2HD1      LEU  19  -3.282  -0.291   2.952
  132   3HD1  LEU  19          3HD1      LEU  19  -2.677  -1.326   1.660
  133   1HD2  LEU  19          1HD2      LEU  19  -2.406   1.598   0.268
  134   2HD2  LEU  19          2HD2      LEU  19  -4.002   1.875  -0.430
  135   3HD2  LEU  19          3HD2      LEU  19  -3.660   2.388   1.222
  136    H    LYS  20           H        LYS  20  -4.919   1.251  -2.733
  137    HA   LYS  20           HA       LYS  20  -4.002  -0.599  -4.700
  138   1HB   LYS  20          2HB       LYS  20  -5.905  -1.035  -5.788
  139   2HB   LYS  20          1HB       LYS  20  -6.808   0.002  -4.698
  140   1HG   LYS  20          2HG       LYS  20  -5.329   1.376  -6.842
  141   2HG   LYS  20          1HG       LYS  20  -6.657   0.355  -7.360
  142   1HD   LYS  20          2HD       LYS  20  -7.131   2.208  -5.086
  143   2HD   LYS  20          1HD       LYS  20  -7.028   2.889  -6.711
  144   1HE   LYS  20          2HE       LYS  20  -8.735   0.493  -6.328
  145   2HE   LYS  20          1HE       LYS  20  -9.315   2.023  -5.669
  146   1HZ   LYS  20          1HZ       LYS  20  -8.346   1.927  -8.447
  147   2HZ   LYS  20          2HZ       LYS  20  -9.498   2.954  -7.741
  148   3HZ   LYS  20          3HZ       LYS  20  -9.900   1.344  -8.085
  149    H    ALA  21           H        ALA  21  -2.886   0.476  -6.408
  150    HA   ALA  21           HA       ALA  21  -3.044   3.107  -7.170
  151   1HB   ALA  21          1HB       ALA  21  -0.829   3.048  -5.167
  152   2HB   ALA  21          2HB       ALA  21  -1.668   4.430  -5.871
  153   3HB   ALA  21          3HB       ALA  21  -2.472   3.436  -4.657
  154    H    ILE  22           H        ILE  22  -0.572   0.821  -6.091
  155    HA   ILE  22           HA       ILE  22   1.598   1.544  -7.461
  156    HB   ILE  22           HB       ILE  22   0.590  -1.245  -6.943
  157   1HG1  ILE  22          2HG1      ILE  22   2.622   0.579  -5.643
  158   2HG1  ILE  22          1HG1      ILE  22   1.122  -0.020  -4.948
  159   1HG2  ILE  22          1HG2      ILE  22   3.394  -1.269  -7.319
  160   2HG2  ILE  22          2HG2      ILE  22   2.157  -2.120  -8.239
  161   3HG2  ILE  22          3HG2      ILE  22   2.670  -0.508  -8.732
  162   1HD1  ILE  22          1HD1      ILE  22   2.839  -1.244  -3.930
  163   2HD1  ILE  22          2HD1      ILE  22   2.137  -2.334  -5.129
  164   3HD1  ILE  22          3HD1      ILE  22   3.666  -1.519  -5.463
  165    H    ASP  23           H        ASP  23  -0.979  -0.417  -8.830
  166    HA   ASP  23           HA       ASP  23  -0.831   0.557 -11.414
  167   1HB   ASP  23          2HB       ASP  23   1.390  -0.549 -11.498
  168   2HB   ASP  23          1HB       ASP  23   0.631  -2.082 -11.086
  169    H    GLN  24           H        GLN  24  -1.589  -1.774  -9.102
  170    HA   GLN  24           HA       GLN  24  -4.058  -2.437 -10.497
  171   1HB   GLN  24          2HB       GLN  24  -3.812  -4.800  -9.615
  172   2HB   GLN  24          1HB       GLN  24  -2.735  -4.363 -10.933
  173   1HG   GLN  24          2HG       GLN  24  -1.552  -3.827  -8.348
  174   2HG   GLN  24          1HG       GLN  24  -2.017  -5.517  -8.534
  175   1HE2  GLN  24          1HE2      GLN  24   0.645  -4.258  -8.416
  176   2HE2  GLN  24          2HE2      GLN  24   1.457  -4.741  -9.871
  177    H    TYR  25           H        TYR  25  -5.158  -4.063  -8.624
  178    HA   TYR  25           HA       TYR  25  -5.468  -2.255  -6.352
  179   1HB   TYR  25          2HB       TYR  25  -7.108  -4.735  -6.781
  180   2HB   TYR  25          1HB       TYR  25  -7.553  -3.234  -5.964
  181    HD1  TYR  25           1HD      TYR  25  -8.423  -5.098  -8.621
  182    HD2  TYR  25           2HD      TYR  25  -7.119  -1.131  -7.800
  183    HE1  TYR  25           1HE      TYR  25  -9.514  -4.314 -10.683
  184    HE2  TYR  25           2HE      TYR  25  -8.209  -0.337  -9.855
  185    HH   TYR  25           HH       TYR  25  -9.131  -0.995 -11.820
  186    H    TRP  26           H        TRP  26  -5.515  -3.195  -4.190
  187    HA   TRP  26           HA       TRP  26  -3.885  -5.618  -3.919
  188   1HB   TRP  26          2HB       TRP  26  -3.356  -2.957  -2.575
  189   2HB   TRP  26          1HB       TRP  26  -2.511  -4.453  -2.205
  190    HD1  TRP  26           HD       TRP  26  -2.638  -1.642  -4.751
  191    HE1  TRP  26           1HE      TRP  26  -0.629  -1.876  -6.344
  192    HE3  TRP  26           3HE      TRP  26  -0.961  -6.224  -3.265
  193    HZ2  TRP  26           2HZ      TRP  26   1.394  -3.763  -6.903
  194    HZ3  TRP  26           3HZ      TRP  26   1.016  -7.178  -4.373
  195    HH2  TRP  26           HH       TRP  26   2.173  -5.968  -6.154
  196    H    HIS  27           H        HIS  27  -3.539  -5.702  -1.318
  197    HA   HIS  27           HA       HIS  27  -6.227  -5.557  -0.125
  198   1HB   HIS  27          2HB       HIS  27  -4.108  -7.645   0.042
  199   2HB   HIS  27          1HB       HIS  27  -4.984  -7.280   1.522
  200    HD2  HIS  27           2HD      HIS  27  -7.973  -7.277   0.783
  201    HE1  HIS  27           1HE      HIS  27  -7.205 -10.781  -1.470
  202    HE2  HIS  27           2HE      HIS  27  -8.952  -9.506  -0.131
  203    H    GLU  28           H        GLU  28  -6.175  -5.009   2.199
  204    HA   GLU  28           HA       GLU  28  -4.598  -2.778   2.773
  205   1HB   GLU  28          2HB       GLU  28  -5.972  -4.625   4.730
  206   2HB   GLU  28          1HB       GLU  28  -5.552  -2.945   4.976
  207   1HG   GLU  28          2HG       GLU  28  -7.141  -3.008   2.677
  208   2HG   GLU  28          1HG       GLU  28  -7.924  -4.063   3.855
  209    H    ASP  29           H        ASP  29  -4.388  -6.139   3.965
  210    HA   ASP  29           HA       ASP  29  -1.804  -5.508   5.191
  211   1HB   ASP  29          2HB       ASP  29  -3.954  -7.004   6.075
  212   2HB   ASP  29          1HB       ASP  29  -2.785  -8.224   5.580
  213    H    CYS  30           H        CYS  30  -2.616  -6.319   2.249
  214    HA   CYS  30           HA       CYS  30  -0.672  -8.473   1.869
  215   1HB   CYS  30          2HB       CYS  30  -2.891  -7.366   0.304
  216   2HB   CYS  30          1HB       CYS  30  -1.454  -7.729  -0.642
  217    H    LEU  31           H        LEU  31  -1.200  -5.093   1.232
  218    HA   LEU  31           HA       LEU  31   1.190  -4.700  -0.280
  219   1HB   LEU  31          2HB       LEU  31  -1.011  -3.268  -0.119
  220   2HB   LEU  31          1HB       LEU  31  -0.167  -2.488   1.205
  221    HG   LEU  31           HG       LEU  31   1.554  -1.689  -0.232
  222   1HD1  LEU  31          1HD1      LEU  31   2.246  -2.820  -2.001
  223   2HD1  LEU  31          2HD1      LEU  31   0.921  -3.962  -1.779
  224   3HD1  LEU  31          3HD1      LEU  31   0.702  -2.548  -2.807
  225   1HD2  LEU  31          1HD2      LEU  31  -0.570  -1.183  -2.164
  226   2HD2  LEU  31          2HD2      LEU  31  -1.071  -0.927  -0.494
  227   3HD2  LEU  31          3HD2      LEU  31   0.321  -0.059  -1.139
  228    H    SER  32           H        SER  32   2.496  -5.939   1.332
  229    HA   SER  32           HA       SER  32   3.565  -4.100   3.371
  230   1HB   SER  32          2HB       SER  32   4.044  -6.989   3.771
  231   2HB   SER  32          1HB       SER  32   3.626  -5.740   4.946
  232    HG   SER  32           HG       SER  32   1.810  -6.887   3.086
  233    H    CYS  33           H        CYS  33   5.848  -4.354   3.797
  234    HA   CYS  33           HA       CYS  33   7.439  -4.177   1.583
  235   1HB   CYS  33          2HB       CYS  33   7.865  -4.525   4.497
  236   2HB   CYS  33          1HB       CYS  33   9.245  -4.798   3.449
  237    H    ASP  34           H        ASP  34   9.348  -5.483   1.030
  238    HA   ASP  34           HA       ASP  34   8.615  -8.276   0.741
  239   1HB   ASP  34          2HB       ASP  34   9.816  -6.576  -0.982
  240   2HB   ASP  34          1HB       ASP  34  11.235  -7.343  -0.273
  241    H    LEU  35           H        LEU  35  11.516  -6.510   1.818
  242    HA   LEU  35           HA       LEU  35  12.492  -8.868   3.178
  243   1HB   LEU  35          2HB       LEU  35  14.036  -7.337   2.047
  244   2HB   LEU  35          1HB       LEU  35  13.554  -6.044   3.129
  245    HG   LEU  35           HG       LEU  35  14.356  -7.909   4.923
  246   1HD1  LEU  35          1HD1      LEU  35  15.311  -8.844   2.430
  247   2HD1  LEU  35          2HD1      LEU  35  16.695  -8.234   3.335
  248   3HD1  LEU  35          3HD1      LEU  35  15.658  -9.473   4.041
  249   1HD2  LEU  35          1HD2      LEU  35  14.995  -5.480   4.663
  250   2HD2  LEU  35          2HD2      LEU  35  16.263  -6.551   5.258
  251   3HD2  LEU  35          3HD2      LEU  35  16.274  -6.024   3.577
  252    H    CYS  36           H        CYS  36  11.780  -5.545   4.266
  253    HA   CYS  36           HA       CYS  36  11.839  -5.978   6.987
  254   1HB   CYS  36          2HB       CYS  36   9.830  -4.109   5.772
  255   2HB   CYS  36          1HB       CYS  36  10.844  -3.875   7.194
  256    H    GLY  37           H        GLY  37   8.944  -5.929   4.939
  257   1HA   GLY  37          1HA       GLY  37   7.130  -7.371   4.994
  258   2HA   GLY  37          2HA       GLY  37   7.844  -8.163   6.395
  259    H    CYS  38           H        CYS  38   7.598  -4.762   6.660
  260    HA   CYS  38           HA       CYS  38   5.647  -5.020   8.763
  261   1HB   CYS  38          2HB       CYS  38   5.895  -2.359   8.494
  262   2HB   CYS  38          1HB       CYS  38   7.066  -3.339   9.363
  263    HG   CYS  38           HG       CYS  38   8.479  -1.480   7.855
  264    H    ARG  39           H        ARG  39   5.539  -2.377   6.511
  265    HA   ARG  39           HA       ARG  39   3.344  -3.293   4.971
  266   1HB   ARG  39          2HB       ARG  39   2.659  -2.112   7.477
  267   2HB   ARG  39          1HB       ARG  39   2.233  -0.967   6.212
  268   1HG   ARG  39          2HG       ARG  39   1.075  -2.942   5.069
  269   2HG   ARG  39          1HG       ARG  39   1.229  -3.760   6.626
  270   1HD   ARG  39          2HD       ARG  39   0.207  -1.424   7.450
  271   2HD   ARG  39          1HD       ARG  39  -0.483  -1.485   5.828
  272    HE   ARG  39           HE       ARG  39  -0.792  -3.856   7.500
  273   1HH1  ARG  39          2HH1      ARG  39  -2.202  -0.904   6.250
  274   2HH1  ARG  39          1HH1      ARG  39  -3.845  -1.437   6.475
  275   1HH2  ARG  39          2HH2      ARG  39  -2.950  -4.574   7.810
  276   2HH2  ARG  39          1HH2      ARG  39  -4.271  -3.526   7.369
  277    H    LEU  40           H        LEU  40   3.016  -1.941   3.197
  278    HA   LEU  40           HA       LEU  40   5.259  -0.333   2.583
  279   1HB   LEU  40          2HB       LEU  40   2.862  -1.272   1.194
  280   2HB   LEU  40          1HB       LEU  40   3.459   0.279   0.629
  281    HG   LEU  40           HG       LEU  40   5.717  -1.365   0.868
  282   1HD1  LEU  40          1HD1      LEU  40   3.318  -2.816  -0.119
  283   2HD1  LEU  40          2HD1      LEU  40   4.885  -3.120  -0.866
  284   3HD1  LEU  40          3HD1      LEU  40   4.666  -3.393   0.864
  285   1HD2  LEU  40          1HD2      LEU  40   4.114  -0.348  -1.458
  286   2HD2  LEU  40          2HD2      LEU  40   5.588   0.327  -0.761
  287   3HD2  LEU  40          3HD2      LEU  40   5.648  -1.197  -1.647
  288    H    GLY  41           H        GLY  41   5.647   1.663   3.099
  289   1HA   GLY  41          1HA       GLY  41   4.961   4.005   2.862
  290   2HA   GLY  41          2HA       GLY  41   3.380   3.513   3.461
  291    H    GLU  42           H        GLU  42   3.726   2.123   5.595
  292    HA   GLU  42           HA       GLU  42   3.963   2.346   7.848
  293   1HB   GLU  42          2HB       GLU  42   6.711   2.574   6.716
  294   2HB   GLU  42          1HB       GLU  42   6.495   2.878   8.434
  295   1HG   GLU  42          2HG       GLU  42   5.719   0.372   6.963
  296   2HG   GLU  42          1HG       GLU  42   7.103   0.571   8.039
  297    H    VAL  43           H        VAL  43   6.561   4.546   7.871
  298    HA   VAL  43           HA       VAL  43   4.734   6.735   8.583
  299    HB   VAL  43           HB       VAL  43   7.682   6.933   9.049
  300   1HG1  VAL  43          1HG1      VAL  43   5.885   7.946  11.071
  301   2HG1  VAL  43          2HG1      VAL  43   7.097   8.798  10.114
  302   3HG1  VAL  43          3HG1      VAL  43   5.469   8.559   9.467
  303   1HG2  VAL  43          1HG2      VAL  43   5.767   5.623  10.978
  304   2HG2  VAL  43          2HG2      VAL  43   6.973   4.761  10.024
  305   3HG2  VAL  43          3HG2      VAL  43   7.481   5.934  11.242
  306    H    GLY  44           H        GLY  44   4.226   7.274   6.501
  307   1HA   GLY  44          1HA       GLY  44   5.513   9.225   5.137
  308   2HA   GLY  44          2HA       GLY  44   6.287   7.764   4.539
  309    H    ARG  45           H        ARG  45   4.933   9.395   2.812
  310    HA   ARG  45           HA       ARG  45   2.600   7.713   2.159
  311   1HB   ARG  45          2HB       ARG  45   1.773   9.858   0.943
  312   2HB   ARG  45          1HB       ARG  45   1.537   9.704   2.677
  313   1HG   ARG  45          2HG       ARG  45   2.597  11.620   2.986
  314   2HG   ARG  45          1HG       ARG  45   4.055  10.931   2.269
  315   1HD   ARG  45          2HD       ARG  45   3.347  12.993   1.134
  316   2HD   ARG  45          1HD       ARG  45   3.320  11.596   0.060
  317    HE   ARG  45           HE       ARG  45   0.768  11.877   1.165
  318   1HH1  ARG  45          2HH1      ARG  45   2.900  13.663  -0.964
  319   2HH1  ARG  45          1HH1      ARG  45   1.609  14.366  -1.887
  320   1HH2  ARG  45          2HH2      ARG  45  -0.940  12.784  -0.051
  321   2HH2  ARG  45          1HH2      ARG  45  -0.580  13.881  -1.360
  322    H    ARG  46           H        ARG  46   5.616   8.150   1.375
  323    HA   ARG  46           HA       ARG  46   5.374   8.495  -1.495
  324   1HB   ARG  46          2HB       ARG  46   7.885   7.556  -0.154
  325   2HB   ARG  46          1HB       ARG  46   7.699   8.577  -1.573
  326   1HG   ARG  46          2HG       ARG  46   6.541   9.982   0.563
  327   2HG   ARG  46          1HG       ARG  46   8.065   9.321   1.162
  328   1HD   ARG  46          2HD       ARG  46   9.058  11.060   0.181
  329   2HD   ARG  46          1HD       ARG  46   8.705  10.268  -1.354
  330    HE   ARG  46           HE       ARG  46   7.067  11.823  -1.769
  331   1HH1  ARG  46          2HH1      ARG  46   8.231  12.184   1.529
  332   2HH1  ARG  46          1HH1      ARG  46   7.189  13.543   1.874
  333   1HH2  ARG  46          2HH2      ARG  46   5.748  13.625  -1.334
  334   2HH2  ARG  46          1HH2      ARG  46   5.814  14.395   0.229
  335    H    LEU  47           H        LEU  47   4.146   6.751  -2.181
  336    HA   LEU  47           HA       LEU  47   4.931   4.071  -1.409
  337   1HB   LEU  47          2HB       LEU  47   2.525   5.160  -2.014
  338   2HB   LEU  47          1HB       LEU  47   2.929   4.404  -3.543
  339    HG   LEU  47           HG       LEU  47   1.536   3.006  -1.991
  340   1HD1  LEU  47          1HD1      LEU  47   3.541   1.110  -2.152
  341   2HD1  LEU  47          2HD1      LEU  47   2.339   1.474  -3.389
  342   3HD1  LEU  47          3HD1      LEU  47   3.923   2.245  -3.445
  343   1HD2  LEU  47          1HD2      LEU  47   2.162   2.975   0.147
  344   2HD2  LEU  47          2HD2      LEU  47   3.426   1.850  -0.353
  345   3HD2  LEU  47          3HD2      LEU  47   3.777   3.574  -0.234
  346    H    TYR  48           H        TYR  48   6.954   3.945  -2.288
  347    HA   TYR  48           HA       TYR  48   7.164   3.819  -5.196
  348   1HB   TYR  48          2HB       TYR  48   9.652   3.225  -4.428
  349   2HB   TYR  48          1HB       TYR  48   9.097   4.887  -4.587
  350    HD1  TYR  48           1HD      TYR  48  10.250   6.093  -2.948
  351    HD2  TYR  48           2HD      TYR  48   8.433   2.396  -1.933
  352    HE1  TYR  48           1HE      TYR  48  10.784   6.489  -0.576
  353    HE2  TYR  48           2HE      TYR  48   8.961   2.772   0.442
  354    HH   TYR  48           HH       TYR  48  10.278   5.811   1.569
  355    H    TYR  49           H        TYR  49   8.255   1.851  -6.101
  356    HA   TYR  49           HA       TYR  49   8.191  -0.528  -4.465
  357   1HB   TYR  49          2HB       TYR  49   6.408  -1.652  -5.445
  358   2HB   TYR  49          1HB       TYR  49   5.784  -0.013  -5.299
  359    HD1  TYR  49           1HD      TYR  49   6.272   1.491  -7.474
  360    HD2  TYR  49           2HD      TYR  49   6.055  -2.758  -7.408
  361    HE1  TYR  49           1HE      TYR  49   5.737   1.490  -9.873
  362    HE2  TYR  49           2HE      TYR  49   5.515  -2.770  -9.812
  363    HH   TYR  49           HH       TYR  49   6.107  -0.782 -11.843
  364    H    LYS  50           H        LYS  50   8.791  -2.480  -5.782
  365    HA   LYS  50           HA       LYS  50  10.925  -1.684  -7.621
  366   1HB   LYS  50          2HB       LYS  50  10.583  -3.752  -5.640
  367   2HB   LYS  50          1HB       LYS  50  11.029  -4.458  -7.186
  368   1HG   LYS  50          2HG       LYS  50  12.636  -2.135  -6.583
  369   2HG   LYS  50          1HG       LYS  50  12.733  -3.353  -5.308
  370   1HD   LYS  50          2HD       LYS  50  13.740  -4.880  -6.658
  371   2HD   LYS  50          1HD       LYS  50  12.911  -4.305  -8.107
  372   1HE   LYS  50          2HE       LYS  50  14.484  -2.733  -8.554
  373   2HE   LYS  50          1HE       LYS  50  14.847  -2.455  -6.852
  374   1HZ   LYS  50          1HZ       LYS  50  16.334  -3.915  -8.645
  375   2HZ   LYS  50          2HZ       LYS  50  15.604  -5.078  -7.647
  376   3HZ   LYS  50          3HZ       LYS  50  16.551  -3.848  -6.963
  377    H    LEU  51           H        LEU  51  11.333  -2.976  -9.521
  378    HA   LEU  51           HA       LEU  51   9.628  -2.917 -11.501
  379   1HB   LEU  51          2HB       LEU  51  10.774  -5.396 -12.007
  380   2HB   LEU  51          1HB       LEU  51  11.401  -3.823 -12.470
  381    HG   LEU  51           HG       LEU  51  12.406  -3.907 -10.011
  382   1HD1  LEU  51          1HD1      LEU  51  12.134  -6.807 -10.787
  383   2HD1  LEU  51          2HD1      LEU  51  13.161  -6.196  -9.491
  384   3HD1  LEU  51          3HD1      LEU  51  11.409  -6.016  -9.387
  385   1HD2  LEU  51          1HD2      LEU  51  13.389  -4.109 -12.544
  386   2HD2  LEU  51          2HD2      LEU  51  14.368  -4.044 -11.078
  387   3HD2  LEU  51          3HD2      LEU  51  13.972  -5.602 -11.807
  388    H    GLY  52           H        GLY  52   9.715  -5.790  -9.392
  389   1HA   GLY  52          1HA       GLY  52   6.910  -6.263 -10.124
  390   2HA   GLY  52          2HA       GLY  52   8.059  -7.586 -10.259
  391    H    ARG  53           H        ARG  53   8.338  -5.212  -7.742
  392    HA   ARG  53           HA       ARG  53   7.210  -7.097  -5.794
  393   1HB   ARG  53          2HB       ARG  53   9.843  -5.674  -5.374
  394   2HB   ARG  53          1HB       ARG  53   9.092  -6.853  -4.309
  395   1HG   ARG  53          2HG       ARG  53   9.321  -8.235  -6.658
  396   2HG   ARG  53          1HG       ARG  53  10.774  -7.236  -6.648
  397   1HD   ARG  53          2HD       ARG  53  11.062  -8.041  -4.222
  398   2HD   ARG  53          1HD       ARG  53   9.892  -9.292  -4.645
  399    HE   ARG  53           HE       ARG  53  11.840  -9.323  -6.619
  400   1HH1  ARG  53          2HH1      ARG  53  11.652  -9.896  -3.155
  401   2HH1  ARG  53          1HH1      ARG  53  12.989 -11.016  -3.148
  402   1HH2  ARG  53          2HH2      ARG  53  13.602 -10.757  -6.602
  403   2HH2  ARG  53          1HH2      ARG  53  14.089 -11.513  -5.110
  404    H    LYS  54           H        LYS  54   6.443  -6.135  -3.898
  405    HA   LYS  54           HA       LYS  54   6.219  -3.198  -4.045
  406   1HB   LYS  54          2HB       LYS  54   4.303  -3.875  -2.236
  407   2HB   LYS  54          1HB       LYS  54   4.000  -3.644  -3.951
  408   1HG   LYS  54          2HG       LYS  54   3.221  -5.704  -4.061
  409   2HG   LYS  54          1HG       LYS  54   4.818  -6.317  -3.634
  410   1HD   LYS  54          2HD       LYS  54   3.893  -5.570  -1.199
  411   2HD   LYS  54          1HD       LYS  54   2.390  -6.048  -1.993
  412   1HE   LYS  54          2HE       LYS  54   2.888  -8.170  -1.589
  413   2HE   LYS  54          1HE       LYS  54   4.297  -8.013  -2.642
  414   1HZ   LYS  54          1HZ       LYS  54   5.145  -6.901  -0.327
  415   2HZ   LYS  54          2HZ       LYS  54   5.450  -8.499  -0.809
  416   3HZ   LYS  54          3HZ       LYS  54   4.154  -8.158   0.231
  417    H    LEU  55           H        LEU  55   7.737  -2.377  -2.789
  418    HA   LEU  55           HA       LEU  55   7.925  -3.141   0.001
  419   1HB   LEU  55          2HB       LEU  55  10.122  -3.914  -0.010
  420   2HB   LEU  55          1HB       LEU  55   9.403  -4.695  -1.401
  421    HG   LEU  55           HG       LEU  55  11.334  -2.373  -1.402
  422   1HD1  LEU  55          1HD1      LEU  55  11.746  -4.862  -2.941
  423   2HD1  LEU  55          2HD1      LEU  55  12.909  -3.839  -2.099
  424   3HD1  LEU  55          3HD1      LEU  55  11.903  -4.963  -1.187
  425   1HD2  LEU  55          1HD2      LEU  55  10.072  -1.760  -3.217
  426   2HD2  LEU  55          2HD2      LEU  55  11.191  -2.894  -3.974
  427   3HD2  LEU  55          3HD2      LEU  55   9.558  -3.412  -3.556
  428    H    CYS  56           H        CYS  56   9.752  -1.731   1.069
  429    HA   CYS  56           HA       CYS  56   9.246   0.979   0.212
  430   1HB   CYS  56          2HB       CYS  56  10.394   1.713   2.185
  431   2HB   CYS  56          1HB       CYS  56   9.322   0.396   2.632
  432    H    ARG  57           H        ARG  57  11.405   2.369   0.683
  433    HA   ARG  57           HA       ARG  57  13.124   1.625  -1.545
  434   1HB   ARG  57          2HB       ARG  57  12.118   3.944  -1.220
  435   2HB   ARG  57          1HB       ARG  57  13.268   4.149   0.098
  436   1HG   ARG  57          2HG       ARG  57  14.602   4.994  -1.470
  437   2HG   ARG  57          1HG       ARG  57  14.890   3.311  -1.915
  438   1HD   ARG  57          2HD       ARG  57  13.830   3.542  -3.860
  439   2HD   ARG  57          1HD       ARG  57  12.467   4.375  -3.109
  440    HE   ARG  57           HE       ARG  57  13.910   6.413  -3.182
  441   1HH1  ARG  57          2HH1      ARG  57  14.225   3.831  -5.533
  442   2HH1  ARG  57          1HH1      ARG  57  15.107   4.814  -6.670
  443   1HH2  ARG  57          2HH2      ARG  57  15.079   7.673  -4.650
  444   2HH2  ARG  57          1HH2      ARG  57  15.632   6.998  -6.150
  445    H    ARG  58           H        ARG  58  13.108   1.153   1.756
  446    HA   ARG  58           HA       ARG  58  15.989   1.474   2.047
  447   1HB   ARG  58          2HB       ARG  58  14.651   0.200   4.305
  448   2HB   ARG  58          1HB       ARG  58  15.654   1.639   4.266
  449   1HG   ARG  58          2HG       ARG  58  12.728   1.560   3.563
  450   2HG   ARG  58          1HG       ARG  58  13.384   2.044   5.126
  451   1HD   ARG  58          2HD       ARG  58  14.794   3.681   3.564
  452   2HD   ARG  58          1HD       ARG  58  13.384   3.477   2.529
  453    HE   ARG  58           HE       ARG  58  13.553   5.126   4.780
  454   1HH1  ARG  58          2HH1      ARG  58  11.316   2.743   3.459
  455   2HH1  ARG  58          1HH1      ARG  58   9.916   3.523   4.115
  456   1HH2  ARG  58          2HH2      ARG  58  11.696   6.128   5.631
  457   2HH2  ARG  58          1HH2      ARG  58  10.123   5.428   5.353
  458    H    ASP  59           H        ASP  59  13.576  -1.101   2.367
  459    HA   ASP  59           HA       ASP  59  15.637  -3.108   2.444
  460   1HB   ASP  59          2HB       ASP  59  14.023  -4.621   2.983
  461   2HB   ASP  59          1HB       ASP  59  13.237  -3.149   3.515
  462    H    TYR  60           H        TYR  60  14.285  -1.296   0.053
  463    HA   TYR  60           HA       TYR  60  14.560  -3.196  -2.109
  464   1HB   TYR  60          2HB       TYR  60  13.240  -1.613  -3.026
  465   2HB   TYR  60          1HB       TYR  60  13.679  -0.428  -1.805
  466    HD1  TYR  60           1HD      TYR  60  14.524  -1.797  -5.104
  467    HD2  TYR  60           2HD      TYR  60  15.385   1.224  -2.236
  468    HE1  TYR  60           1HE      TYR  60  15.840  -0.578  -6.789
  469    HE2  TYR  60           2HE      TYR  60  16.695   2.455  -3.911
  470    HH   TYR  60           HH       TYR  60  18.007   1.357  -6.377
  471    H    LEU  61           H        LEU  61  16.438  -0.585  -0.631
  472    HA   LEU  61           HA       LEU  61  18.589  -0.769  -2.488
  473   1HB   LEU  61          2HB       LEU  61  17.818   0.849  -0.240
  474   2HB   LEU  61          1HB       LEU  61  19.508   0.396  -0.099
  475    HG   LEU  61           HG       LEU  61  18.570   1.471  -2.709
  476   1HD1  LEU  61          1HD1      LEU  61  18.633   3.719  -2.026
  477   2HD1  LEU  61          2HD1      LEU  61  17.597   2.897  -0.859
  478   3HD1  LEU  61          3HD1      LEU  61  19.261   3.300  -0.431
  479   1HD2  LEU  61          1HD2      LEU  61  20.765   1.286  -3.017
  480   2HD2  LEU  61          2HD2      LEU  61  20.946   2.654  -1.919
  481   3HD2  LEU  61          3HD2      LEU  61  21.056   1.005  -1.300
  482    H    ARG  62           H        ARG  62  18.157  -1.799   0.861
  483    HA   ARG  62           HA       ARG  62  19.615  -4.201   0.469
  484   1HB   ARG  62          2HB       ARG  62  21.260  -2.063   1.045
  485   2HB   ARG  62          1HB       ARG  62  20.949  -2.739   2.636
  486   1HG   ARG  62          2HG       ARG  62  22.545  -4.215   2.247
  487   2HG   ARG  62          1HG       ARG  62  21.512  -4.931   1.007
  488   1HD   ARG  62          2HD       ARG  62  22.611  -3.899  -0.703
  489   2HD   ARG  62          1HD       ARG  62  23.082  -2.518   0.285
  490    HE   ARG  62           HE       ARG  62  24.763  -4.016   1.314
  491   1HH1  ARG  62          2HH1      ARG  62  23.437  -4.826  -1.824
  492   2HH1  ARG  62          1HH1      ARG  62  24.853  -5.699  -2.340
  493   1HH2  ARG  62          2HH2      ARG  62  26.602  -5.166   0.661
  494   2HH2  ARG  62          1HH2      ARG  62  26.662  -5.894  -0.920
  495    H    LEU  63           H        LEU  63  19.589  -2.309   3.425
  496    HA   LEU  63           HA       LEU  63  17.133  -3.657   4.248
  497   1HB   LEU  63          2HB       LEU  63  18.318  -3.270   6.669
  498   2HB   LEU  63          1HB       LEU  63  18.239  -4.802   5.822
  499    HG   LEU  63           HG       LEU  63  20.554  -3.105   5.141
  500   1HD1  LEU  63          1HD1      LEU  63  21.414  -2.850   7.169
  501   2HD1  LEU  63          2HD1      LEU  63  19.872  -3.384   7.844
  502   3HD1  LEU  63          3HD1      LEU  63  21.157  -4.556   7.543
  503   1HD2  LEU  63          1HD2      LEU  63  21.413  -5.603   5.872
  504   2HD2  LEU  63          2HD2      LEU  63  19.785  -5.920   5.266
  505   3HD2  LEU  63          3HD2      LEU  63  20.969  -5.110   4.238
  506    H    GLY  64           H        GLY  64  19.410  -1.013   4.617
  507   1HA   GLY  64          1HA       GLY  64  17.119   0.735   5.264
  508   2HA   GLY  64          2HA       GLY  64  18.726   1.000   5.929
  509    H    GLY  65           H        GLY  65  20.466   0.993   4.058
  510   1HA   GLY  65          1HA       GLY  65  19.418   2.380   1.704
  511   2HA   GLY  65          2HA       GLY  65  20.617   3.207   2.688
  512    H    SER  66           H        SER  66  22.679   2.847   2.302
  513    HA   SER  66           HA       SER  66  23.365   0.884   0.259
  514   1HB   SER  66          2HB       SER  66  25.670   2.305   0.974
  515   2HB   SER  66          1HB       SER  66  24.658   2.577  -0.445
  516    HG   SER  66           HG       SER  66  24.350   3.790   2.115
  517    H    GLY  67           H        GLY  67  23.530   1.404   3.607
  518   1HA   GLY  67          1HA       GLY  67  24.859   0.513   5.317
  519   2HA   GLY  67          2HA       GLY  67  24.030  -0.899   4.701
  520    H    GLY  68           H        GLY  68  26.746   0.910   3.288
  521   1HA   GLY  68          1HA       GLY  68  28.312  -1.592   3.439
  522   2HA   GLY  68          2HA       GLY  68  28.430  -0.439   2.115
  523    H    HIS  69           H        HIS  69  28.759   1.931   3.167
  524    HA   HIS  69           HA       HIS  69  30.968   1.665   5.096
  525   1HB   HIS  69          2HB       HIS  69  30.893   3.057   2.470
  526   2HB   HIS  69          1HB       HIS  69  31.752   3.860   3.781
  527    HD2  HIS  69           2HD      HIS  69  33.160   1.197   5.083
  528    HE1  HIS  69           1HE      HIS  69  34.777   0.763   1.196
  529    HE2  HIS  69           2HE      HIS  69  35.025   0.123   3.638
  530    H    MET  70           H        MET  70  29.848   4.675   3.684
  531    HA   MET  70           HA       MET  70  28.853   5.454   6.350
  532   1HB   MET  70          2HB       MET  70  29.412   7.492   4.243
  533   2HB   MET  70          1HB       MET  70  29.567   7.617   5.988
  534   1HG   MET  70          2HG       MET  70  31.565   6.121   5.827
  535   2HG   MET  70          1HG       MET  70  31.446   6.264   4.074
  536   1HE   MET  70          1HE       MET  70  32.250   9.339   7.212
  537   2HE   MET  70          2HE       MET  70  32.076   7.590   7.347
  538   3HE   MET  70          3HE       MET  70  33.645   8.293   6.954
  539    H    GLY  71           H        GLY  71  28.135   5.396   2.927
  540   1HA   GLY  71          1HA       GLY  71  25.903   5.234   2.068
  541   2HA   GLY  71          2HA       GLY  71  25.322   6.007   3.539
  542    H    SER  72           H        SER  72  25.857   6.497   0.345
  543    HA   SER  72           HA       SER  72  26.848   9.185   0.584
  544   1HB   SER  72          2HB       SER  72  26.217   8.525  -2.109
  545   2HB   SER  72          1HB       SER  72  27.804   8.720  -1.365
  546    HG   SER  72           HG       SER  72  27.162   6.570  -2.331
  547    H    GLY  73           H        GLY  73  23.904   8.069   1.037
  548   1HA   GLY  73          1HA       GLY  73  22.594  10.286  -0.413
  549   2HA   GLY  73          2HA       GLY  73  21.761   8.881   0.245
  550    H    GLY  74           H        GLY  74  22.638   8.653   2.735
  551   1HA   GLY  74          1HA       GLY  74  23.014   9.870   4.764
  552   2HA   GLY  74          2HA       GLY  74  22.313  11.292   4.006
  553    H    ASP  75           H        ASP  75  21.463  10.584   6.482
  554    HA   ASP  75           HA       ASP  75  19.188   8.870   6.433
  555   1HB   ASP  75          2HB       ASP  75  19.901   9.017   8.590
  556   2HB   ASP  75          1HB       ASP  75  20.509  10.654   8.387
  557    H    VAL  76           H        VAL  76  17.295   9.272   5.570
  558    HA   VAL  76           HA       VAL  76  16.662  12.013   4.796
  559    HB   VAL  76           HB       VAL  76  14.738  10.038   3.890
  560   1HG1  VAL  76          1HG1      VAL  76  15.859  12.435   3.039
  561   2HG1  VAL  76          2HG1      VAL  76  16.412  11.241   1.865
  562   3HG1  VAL  76          3HG1      VAL  76  14.687  11.445   2.168
  563   1HG2  VAL  76          1HG2      VAL  76  17.638   9.438   3.542
  564   2HG2  VAL  76          2HG2      VAL  76  16.280   8.338   3.779
  565   3HG2  VAL  76          3HG2      VAL  76  16.530   9.107   2.211
  566    H    MET  77           H        MET  77  15.310  13.195   5.908
  567    HA   MET  77           HA       MET  77  13.715  12.035   8.016
  568   1HB   MET  77          2HB       MET  77  13.441  14.905   7.280
  569   2HB   MET  77          1HB       MET  77  13.527  14.158   8.868
  570   1HG   MET  77          2HG       MET  77  15.798  14.172   8.909
  571   2HG   MET  77          1HG       MET  77  15.944  14.089   7.160
  572   1HE   MET  77          1HE       MET  77  13.913  16.289   9.527
  573   2HE   MET  77          2HE       MET  77  15.473  16.667  10.262
  574   3HE   MET  77          3HE       MET  77  14.604  17.905   9.353
  575    H    VAL  78           H        VAL  78  11.406  12.514   8.256
  576    HA   VAL  78           HA       VAL  78   9.980  12.157   5.758
  577    HB   VAL  78           HB       VAL  78   8.712  12.520   8.472
  578   1HG1  VAL  78          1HG1      VAL  78   7.401  10.585   6.905
  579   2HG1  VAL  78          2HG1      VAL  78   6.837  12.204   7.322
  580   3HG1  VAL  78          3HG1      VAL  78   7.749  11.943   5.834
  581   1HG2  VAL  78          1HG2      VAL  78  10.403  10.797   8.715
  582   2HG2  VAL  78          2HG2      VAL  78   8.794  10.072   8.722
  583   3HG2  VAL  78          3HG2      VAL  78   9.802   9.972   7.278
  584    H    VAL  79           H        VAL  79  10.898  14.335   5.135
  585    HA   VAL  79           HA       VAL  79   8.995  16.469   5.848
  586    HB   VAL  79           HB       VAL  79  11.222  16.648   7.045
  587   1HG1  VAL  79          1HG1      VAL  79  13.050  16.259   5.850
  588   2HG1  VAL  79          2HG1      VAL  79  12.181  16.434   4.325
  589   3HG1  VAL  79          3HG1      VAL  79  12.821  17.860   5.145
  590   1HG2  VAL  79          1HG2      VAL  79  11.556  19.113   6.221
  591   2HG2  VAL  79          2HG2      VAL  79  10.078  18.785   5.317
  592   3HG2  VAL  79          3HG2      VAL  79  10.085  18.638   7.074
  593    H    GLY  80           H        GLY  80   9.798  14.521   3.508
  594   1HA   GLY  80          1HA       GLY  80   8.991  14.955   1.251
  595   2HA   GLY  80          2HA       GLY  80   9.645  16.583   1.401
  596    H    GLU  81           H        GLU  81  10.520  13.181   1.289
  597    HA   GLU  81           HA       GLU  81  13.269  13.432   1.246
  598   1HB   GLU  81          2HB       GLU  81  11.503  11.344  -0.036
  599   2HB   GLU  81          1HB       GLU  81  13.241  11.175   0.172
  600   1HG   GLU  81          2HG       GLU  81  12.612  10.099   2.044
  601   2HG   GLU  81          1HG       GLU  81  12.572  11.737   2.693
  602    HA   PRO  82           HA       PRO  82  13.854  15.127  -2.836
  603   1HB   PRO  82          2HB       PRO  82  16.435  15.764  -2.564
  604   2HB   PRO  82          1HB       PRO  82  15.176  16.646  -1.694
  605   1HG   PRO  82          2HG       PRO  82  17.047  14.546  -0.703
  606   2HG   PRO  82          1HG       PRO  82  16.462  16.003   0.114
  607   1HD   PRO  82          2HD       PRO  82  15.460  13.433   0.488
  608   2HD   PRO  82          1HD       PRO  82  14.622  14.937   0.919
  609    H    THR  83           H        THR  83  15.836  14.899  -4.460
  610    HA   THR  83           HA       THR  83  16.187  12.029  -4.881
  611    HB   THR  83           HB       THR  83  15.379  13.148  -6.829
  612    HG1  THR  83           1HG      THR  83  17.270  11.625  -6.987
  613   1HG2  THR  83          1HG2      THR  83  16.453  15.041  -7.876
  614   2HG2  THR  83          2HG2      THR  83  17.738  15.025  -6.667
  615   3HG2  THR  83          3HG2      THR  83  16.090  15.438  -6.196
  616    H    LEU  84           H        LEU  84  17.966  11.079  -4.237
  617    HA   LEU  84           HA       LEU  84  20.442  12.656  -4.035
  618   1HB   LEU  84          2HB       LEU  84  19.646  10.321  -2.291
  619   2HB   LEU  84          1HB       LEU  84  21.101  11.289  -2.135
  620    HG   LEU  84           HG       LEU  84  18.684  12.906  -1.999
  621   1HD1  LEU  84          1HD1      LEU  84  19.088  10.836   0.151
  622   2HD1  LEU  84          2HD1      LEU  84  17.903  12.142   0.153
  623   3HD1  LEU  84          3HD1      LEU  84  17.776  10.840  -1.032
  624   1HD2  LEU  84          1HD2      LEU  84  20.679  13.907  -1.323
  625   2HD2  LEU  84          2HD2      LEU  84  19.849  13.539   0.190
  626   3HD2  LEU  84          3HD2      LEU  84  21.165  12.507  -0.367
  627    H    MET  85           H        MET  85  22.041  11.951  -5.300
  628    HA   MET  85           HA       MET  85  21.657   9.394  -6.665
  629   1HB   MET  85          2HB       MET  85  22.325  11.811  -7.664
  630   2HB   MET  85          1HB       MET  85  23.927  11.129  -7.421
  631   1HG   MET  85          2HG       MET  85  22.633   9.062  -8.622
  632   2HG   MET  85          1HG       MET  85  21.867  10.455  -9.384
  633   1HE   MET  85          1HE       MET  85  24.261  11.611 -11.929
  634   2HE   MET  85          2HE       MET  85  22.695  10.823 -11.732
  635   3HE   MET  85          3HE       MET  85  23.093  12.251 -10.771
  636    H    GLY  86           H        GLY  86  22.680   9.723  -3.876
  637   1HA   GLY  86          1HA       GLY  86  25.362   8.567  -4.168
  638   2HA   GLY  86          2HA       GLY  86  24.666   9.176  -2.672
  639    H    GLY  87           H        GLY  87  24.501   7.512  -1.288
  640   1HA   GLY  87          1HA       GLY  87  23.912   4.853  -2.306
  641   2HA   GLY  87          2HA       GLY  87  24.245   5.280  -0.628
  642    H    GLU  88           H        GLU  88  22.449   6.533   0.477
  643    HA   GLU  88           HA       GLU  88  19.962   5.174  -0.016
  644   1HB   GLU  88          2HB       GLU  88  20.398   7.347   2.007
  645   2HB   GLU  88          1HB       GLU  88  19.294   5.977   2.082
  646   1HG   GLU  88          2HG       GLU  88  20.834   5.017   3.352
  647   2HG   GLU  88          1HG       GLU  88  21.726   4.753   1.865
  648    H    PHE  89           H        PHE  89  19.021   5.963  -1.865
  649    HA   PHE  89           HA       PHE  89  18.842   8.778  -2.386
  650   1HB   PHE  89          2HB       PHE  89  16.953   7.110  -3.874
  651   2HB   PHE  89          1HB       PHE  89  18.195   8.205  -4.468
  652    HD1  PHE  89           1HD      PHE  89  20.662   7.278  -4.198
  653    HD2  PHE  89           2HD      PHE  89  17.145   4.893  -4.340
  654    HE1  PHE  89           1HE      PHE  89  22.009   5.345  -4.921
  655    HE2  PHE  89           2HE      PHE  89  18.479   2.960  -5.071
  656    HZ   PHE  89           HZ       PHE  89  20.911   3.184  -5.368
  657    H    GLY  90           H        GLY  90  16.641   9.766  -2.866
  658   1HA   GLY  90          1HA       GLY  90  14.944   9.253  -0.543
  659   2HA   GLY  90          2HA       GLY  90  14.949  10.712  -1.522
  660    H    ASP  91           H        ASP  91  13.436  10.943  -3.051
  661    HA   ASP  91           HA       ASP  91  11.496   8.817  -3.251
  662   1HB   ASP  91          2HB       ASP  91  10.049  10.471  -4.308
  663   2HB   ASP  91          1HB       ASP  91  10.729  11.082  -2.816
  664    H    GLU  92           H        GLU  92  12.374  10.961  -5.893
  665    HA   GLU  92           HA       GLU  92  12.981  10.663  -8.036
  666   1HB   GLU  92          2HB       GLU  92  14.221   8.333  -6.716
  667   2HB   GLU  92          1HB       GLU  92  14.042   8.229  -8.464
  668   1HG   GLU  92          2HG       GLU  92  15.599   9.801  -8.854
  669   2HG   GLU  92          1HG       GLU  92  15.117  10.769  -7.462
  670    H    ASP  93           H        ASP  93  11.422   7.789  -6.729
  671    HA   ASP  93           HA       ASP  93   9.668   7.726  -9.091
  672   1HB   ASP  93          2HB       ASP  93  11.545   6.018  -9.242
  673   2HB   ASP  93          1HB       ASP  93  10.831   5.233  -7.838
  674    H    GLU  94           H        GLU  94   9.204   8.815  -6.513
  675    HA   GLU  94           HA       GLU  94   7.690   6.930  -4.966
  676   1HB   GLU  94          2HB       GLU  94   7.211   8.758  -3.497
  677   2HB   GLU  94          1HB       GLU  94   8.897   8.881  -3.974
  678   1HG   GLU  94          2HG       GLU  94   8.546  10.962  -4.632
  679   2HG   GLU  94          1HG       GLU  94   7.393  10.382  -5.834
  680    H    ARG  95           H        ARG  95   5.411   7.286  -4.446
  681    HA   ARG  95           HA       ARG  95   3.756   8.687  -6.338
  682   1HB   ARG  95          2HB       ARG  95   4.548   6.267  -7.166
  683   2HB   ARG  95          1HB       ARG  95   3.208   5.771  -6.148
  684   1HG   ARG  95          2HG       ARG  95   1.932   7.623  -7.540
  685   2HG   ARG  95          1HG       ARG  95   3.201   7.258  -8.714
  686   1HD   ARG  95          2HD       ARG  95   1.036   5.907  -8.877
  687   2HD   ARG  95          1HD       ARG  95   2.553   5.006  -8.883
  688    HE   ARG  95           HE       ARG  95   0.652   5.197  -6.647
  689   1HH1  ARG  95          2HH1      ARG  95   3.357   3.607  -8.225
  690   2HH1  ARG  95          1HH1      ARG  95   3.607   2.475  -6.931
  691   1HH2  ARG  95          2HH2      ARG  95   0.975   3.705  -4.953
  692   2HH2  ARG  95          1HH2      ARG  95   2.229   2.509  -5.081
  693    H    LEU  96           H        LEU  96   1.310   7.658  -5.774
  694    HA   LEU  96           HA       LEU  96   1.172   7.953  -2.853
  695   1HB   LEU  96          2HB       LEU  96  -1.086   8.360  -4.794
  696   2HB   LEU  96          1HB       LEU  96  -0.993   8.890  -3.127
  697    HG   LEU  96           HG       LEU  96   1.043   9.975  -4.995
  698   1HD1  LEU  96          1HD1      LEU  96  -1.748  10.107  -5.577
  699   2HD1  LEU  96          2HD1      LEU  96  -1.176  11.711  -5.120
  700   3HD1  LEU  96          3HD1      LEU  96  -0.397  10.839  -6.441
  701   1HD2  LEU  96          1HD2      LEU  96   1.359  11.285  -3.236
  702   2HD2  LEU  96          2HD2      LEU  96  -0.278  11.917  -3.419
  703   3HD2  LEU  96          3HD2      LEU  96   0.014  10.510  -2.397
  704    H    ILE  97           H        ILE  97  -1.298   7.127  -2.282
  705    HA   ILE  97           HA       ILE  97  -1.847   4.533  -3.411
  706    HB   ILE  97           HB       ILE  97  -2.049   4.103  -0.614
  707   1HG1  ILE  97          2HG1      ILE  97   0.724   3.998  -0.636
  708   2HG1  ILE  97          1HG1      ILE  97   0.362   5.560  -1.361
  709   1HG2  ILE  97          1HG2      ILE  97  -1.958   2.308  -2.141
  710   2HG2  ILE  97          2HG2      ILE  97  -0.418   2.856  -2.808
  711   3HG2  ILE  97          3HG2      ILE  97  -0.488   2.209  -1.168
  712   1HD1  ILE  97          1HD1      ILE  97   0.691   5.492   1.149
  713   2HD1  ILE  97          2HD1      ILE  97  -0.754   6.310   0.557
  714   3HD1  ILE  97          3HD1      ILE  97  -0.873   4.682   1.226
  715    H    THR  98           H        THR  98  -4.010   4.035  -3.202
  716    HA   THR  98           HA       THR  98  -5.579   5.981  -1.680
  717    HB   THR  98           HB       THR  98  -5.718   5.132  -4.466
  718    HG1  THR  98           1HG      THR  98  -7.263   7.152  -3.204
  719   1HG2  THR  98          1HG2      THR  98  -8.146   5.033  -4.641
  720   2HG2  THR  98          2HG2      THR  98  -8.277   5.087  -2.882
  721   3HG2  THR  98          3HG2      THR  98  -7.508   3.708  -3.667
  722    H    ARG  99           H        ARG  99  -6.834   5.177  -0.148
  723    HA   ARG  99           HA       ARG  99  -7.134   2.263   0.011
  724   1HB   ARG  99          2HB       ARG  99  -7.043   4.460   2.002
  725   2HB   ARG  99          1HB       ARG  99  -8.157   3.143   2.352
  726   1HG   ARG  99          2HG       ARG  99  -6.260   1.558   2.003
  727   2HG   ARG  99          1HG       ARG  99  -5.192   2.957   1.900
  728   1HD   ARG  99          2HD       ARG  99  -4.979   2.384   4.102
  729   2HD   ARG  99          1HD       ARG  99  -6.269   3.587   4.191
  730    HE   ARG  99           HE       ARG  99  -6.761   0.668   4.178
  731   1HH1  ARG  99          2HH1      ARG  99  -7.388   3.884   5.444
  732   2HH1  ARG  99          1HH1      ARG  99  -8.689   3.353   6.469
  733   1HH2  ARG  99          2HH2      ARG  99  -8.396  -0.033   5.545
  734   2HH2  ARG  99          1HH2      ARG  99  -9.252   1.107   6.553
  735    H    LEU 100           H        LEU 100  -8.790   1.711  -1.193
  736    HA   LEU 100           HA       LEU 100 -11.161   3.421  -1.255
  737   1HB   LEU 100          2HB       LEU 100  -9.771   2.412  -3.275
  738   2HB   LEU 100          1HB       LEU 100 -10.851   1.050  -3.024
  739    HG   LEU 100           HG       LEU 100 -12.578   3.204  -3.095
  740   1HD1  LEU 100          1HD1      LEU 100 -10.973   3.681  -5.516
  741   2HD1  LEU 100          2HD1      LEU 100 -11.896   4.807  -4.522
  742   3HD1  LEU 100          3HD1      LEU 100 -10.286   4.299  -4.014
  743   1HD2  LEU 100          1HD2      LEU 100 -11.764   1.008  -4.880
  744   2HD2  LEU 100          2HD2      LEU 100 -13.364   1.467  -4.294
  745   3HD2  LEU 100          3HD2      LEU 100 -12.639   2.331  -5.650
  746    H    GLU 101           H        GLU 101 -13.202   2.122  -1.760
  747    HA   GLU 101           HA       GLU 101 -13.494   0.016   0.277
  748   1HB   GLU 101          2HB       GLU 101 -15.871   1.222  -1.056
  749   2HB   GLU 101          1HB       GLU 101 -15.690   0.626   0.588
  750   1HG   GLU 101          2HG       GLU 101 -13.998   2.818   0.455
  751   2HG   GLU 101          1HG       GLU 101 -15.437   3.305  -0.444
  752    H    ASN 102           H        ASN 102 -14.286  -1.966  -0.302
  753    HA   ASN 102           HA       ASN 102 -14.353  -2.580  -3.150
  754   1HB   ASN 102          2HB       ASN 102 -13.270  -4.248  -1.791
  755   2HB   ASN 102          1HB       ASN 102 -14.640  -4.312  -0.683
  756   1HD2  ASN 102          1HD2      ASN 102 -15.503  -6.243  -0.873
  757   2HD2  ASN 102          2HD2      ASN 102 -15.922  -7.026  -2.365
  758    H    THR 103           H        THR 103 -16.453  -2.185  -0.392
  759    HA   THR 103           HA       THR 103 -18.774  -2.445  -2.178
  760    HB   THR 103           HB       THR 103 -19.792  -2.525   0.380
  761    HG1  THR 103           1HG      THR 103 -17.949  -4.523   0.657
  762   1HG2  THR 103          1HG2      THR 103 -20.804  -4.122  -0.771
  763   2HG2  THR 103          2HG2      THR 103 -19.472  -5.174  -0.297
  764   3HG2  THR 103          3HG2      THR 103 -19.422  -4.333  -1.844
  765    H    GLN 104           H        GLN 104 -19.260  -1.195   0.951
  766    HA   GLN 104           HA       GLN 104 -18.600   1.505   0.559
  767   1HB   GLN 104          2HB       GLN 104 -21.144   2.230   0.721
  768   2HB   GLN 104          1HB       GLN 104 -20.362   1.995  -0.835
  769   1HG   GLN 104          2HG       GLN 104 -21.368  -0.151  -1.098
  770   2HG   GLN 104          1HG       GLN 104 -21.992  -0.118   0.550
  771   1HE2  GLN 104          1HE2      GLN 104 -22.013   2.125  -2.209
  772   2HE2  GLN 104          2HE2      GLN 104 -23.733   2.396  -2.183
  773    H    PHE 105           H        PHE 105 -17.758   1.306   2.568
  774    HA   PHE 105           HA       PHE 105 -19.657   0.798   4.776
  775   1HB   PHE 105          2HB       PHE 105 -18.091  -1.102   4.230
  776   2HB   PHE 105          1HB       PHE 105 -16.753  -0.050   4.658
  777    HD1  PHE 105           1HD      PHE 105 -18.194  -2.771   5.787
  778    HD2  PHE 105           2HD      PHE 105 -17.646   1.241   7.107
  779    HE1  PHE 105           1HE      PHE 105 -18.343  -3.524   8.124
  780    HE2  PHE 105           2HE      PHE 105 -17.796   0.490   9.445
  781    HZ   PHE 105           HZ       PHE 105 -18.148  -1.893   9.956
  782    H    ASP 106           H        ASP 106 -16.397   2.028   4.113
  783    HA   ASP 106           HA       ASP 106 -16.104   3.411   6.526
  784   1HB   ASP 106          2HB       ASP 106 -14.430   2.815   4.504
  785   2HB   ASP 106          1HB       ASP 106 -14.710   4.518   4.160
  786    H    ALA 107           H        ALA 107 -16.416   4.969   3.342
  787    HA   ALA 107           HA       ALA 107 -18.269   6.874   4.581
  788   1HB   ALA 107          1HB       ALA 107 -16.796   8.522   4.609
  789   2HB   ALA 107          2HB       ALA 107 -15.567   7.463   3.918
  790   3HB   ALA 107          3HB       ALA 107 -16.628   8.390   2.860
  791    H    ALA 108           H        ALA 108 -17.540   4.883   1.981
  792    HA   ALA 108           HA       ALA 108 -18.623   6.387  -0.164
  793   1HB   ALA 108          1HB       ALA 108 -19.078   3.681  -0.730
  794   2HB   ALA 108          2HB       ALA 108 -17.720   4.677  -1.250
  795   3HB   ALA 108          3HB       ALA 108 -17.602   3.734   0.235
  796    H    ASN 109           H        ASN 109 -20.115   5.059   2.529
  797    HA   ASN 109           HA       ASN 109 -22.737   5.141   1.187
  798   1HB   ASN 109          2HB       ASN 109 -21.805   2.928   2.366
  799   2HB   ASN 109          1HB       ASN 109 -22.442   3.732   3.797
  800   1HD2  ASN 109          1HD2      ASN 109 -23.678   1.591   3.538
  801   2HD2  ASN 109          2HD2      ASN 109 -25.206   1.707   2.708
  802    H    GLY 110           H        GLY 110 -21.216   7.354   2.250
  803   1HA   GLY 110          1HA       GLY 110 -23.252   8.523   3.900
  804   2HA   GLY 110          2HA       GLY 110 -21.776   8.191   4.791
  805    H    ILE 111           H        ILE 111 -19.745   9.003   3.641
  806    HA   ILE 111           HA       ILE 111 -20.244  11.777   2.831
  807    HB   ILE 111           HB       ILE 111 -17.498  10.743   3.386
  808   1HG1  ILE 111          2HG1      ILE 111 -18.967   9.916   5.246
  809   2HG1  ILE 111          1HG1      ILE 111 -17.714  11.038   5.765
  810   1HG2  ILE 111          1HG2      ILE 111 -18.352  13.316   4.477
  811   2HG2  ILE 111          2HG2      ILE 111 -16.942  12.904   3.502
  812   3HG2  ILE 111          3HG2      ILE 111 -18.498  13.192   2.725
  813   1HD1  ILE 111          1HD1      ILE 111 -20.647  11.333   5.766
  814   2HD1  ILE 111          2HD1      ILE 111 -19.440  11.924   6.907
  815   3HD1  ILE 111          3HD1      ILE 111 -19.704  12.773   5.384
  816    H    ASP 112           H        ASP 112 -17.220  10.369   2.073
  817    HA   ASP 112           HA       ASP 112 -17.918   9.568  -0.602
  818   1HB   ASP 112          2HB       ASP 112 -17.661  12.020  -0.868
  819   2HB   ASP 112          1HB       ASP 112 -16.042  11.914  -0.189
  820    H    ASP 113           H        ASP 113 -16.604   7.971  -1.226
  821    HA   ASP 113           HA       ASP 113 -14.860   6.771   0.565
  822   1HB   ASP 113          2HB       ASP 113 -15.223   5.123  -0.901
  823   2HB   ASP 113          1HB       ASP 113 -15.842   6.269  -2.081
  824    H    GLU 114           H        GLU 114 -12.926   7.286   1.242
  825    HA   GLU 114           HA       GLU 114 -10.824   8.274  -0.451
  826   1HB   GLU 114          2HB       GLU 114 -12.474  10.222   0.297
  827   2HB   GLU 114          1HB       GLU 114 -11.539  10.116   1.781
  828   1HG   GLU 114          2HG       GLU 114  -9.760  10.148  -0.450
  829   2HG   GLU 114          1HG       GLU 114 -10.899  11.482  -0.594
  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1 -21.054 -11.188  -7.509
    2   2H    GLY   1          2H        GLY   1 -21.067  -9.501  -7.715
    3   3H    GLY   1          3H        GLY   1 -19.992 -10.214  -6.616
    4   1HA   GLY   1          2HA       GLY   1 -19.304 -11.498  -8.844
    5   2HA   GLY   1          1HA       GLY   1 -19.802  -9.943  -9.493
    6    H    SER   2           H        SER   2 -17.137 -11.170  -9.353
    7    HA   SER   2           HA       SER   2 -15.670  -9.690  -7.362
    8   1HB   SER   2          2HB       SER   2 -14.253 -10.846  -9.700
    9   2HB   SER   2          1HB       SER   2 -13.873 -10.953  -7.981
   10    HG   SER   2           HG       SER   2 -15.734 -12.407  -7.837
   11    H    LEU   3           H        LEU   3 -14.972  -7.657  -7.540
   12    HA   LEU   3           HA       LEU   3 -15.025  -6.415 -10.198
   13   1HB   LEU   3          2HB       LEU   3 -14.699  -4.888  -7.640
   14   2HB   LEU   3          1HB       LEU   3 -15.325  -4.331  -9.179
   15    HG   LEU   3           HG       LEU   3 -16.769  -6.274  -7.375
   16   1HD1  LEU   3          1HD1      LEU   3 -17.312  -4.539  -6.106
   17   2HD1  LEU   3          2HD1      LEU   3 -16.464  -3.423  -7.178
   18   3HD1  LEU   3          3HD1      LEU   3 -18.147  -3.845  -7.495
   19   1HD2  LEU   3          1HD2      LEU   3 -17.937  -6.636  -9.247
   20   2HD2  LEU   3          2HD2      LEU   3 -18.604  -5.025  -8.984
   21   3HD2  LEU   3          3HD2      LEU   3 -17.230  -5.244 -10.066
   22    H    LEU   4           H        LEU   4 -13.107  -6.018  -7.234
   23    HA   LEU   4           HA       LEU   4 -10.720  -5.667  -8.919
   24   1HB   LEU   4          2HB       LEU   4 -10.851  -5.110  -5.972
   25   2HB   LEU   4          1HB       LEU   4  -9.721  -4.477  -7.157
   26    HG   LEU   4           HG       LEU   4 -12.486  -3.711  -7.703
   27   1HD1  LEU   4          1HD1      LEU   4 -11.881  -1.926  -5.686
   28   2HD1  LEU   4          2HD1      LEU   4 -13.100  -3.201  -5.621
   29   3HD1  LEU   4          3HD1      LEU   4 -11.480  -3.496  -4.987
   30   1HD2  LEU   4          1HD2      LEU   4 -10.001  -2.864  -8.393
   31   2HD2  LEU   4          2HD2      LEU   4 -11.469  -1.898  -8.552
   32   3HD2  LEU   4          3HD2      LEU   4 -10.429  -1.696  -7.142
   33    H    THR   5           H        THR   5  -8.735  -6.655  -8.194
   34    HA   THR   5           HA       THR   5  -9.062  -8.991  -6.465
   35    HB   THR   5           HB       THR   5  -7.206  -9.705  -8.472
   36    HG1  THR   5           1HG      THR   5  -8.047  -8.477 -10.064
   37   1HG2  THR   5          1HG2      THR   5  -8.299 -11.630  -8.201
   38   2HG2  THR   5          2HG2      THR   5  -9.808 -10.916  -8.773
   39   3HG2  THR   5          3HG2      THR   5  -9.355 -10.779  -7.076
   40    H    CYS   6           H        CYS   6  -7.396  -9.326  -5.113
   41    HA   CYS   6           HA       CYS   6  -5.366  -7.284  -4.987
   42   1HB   CYS   6          2HB       CYS   6  -6.014  -7.596  -2.846
   43   2HB   CYS   6          1HB       CYS   6  -6.573  -9.236  -3.147
   44    H    GLY   7           H        GLY   7  -3.248  -7.518  -5.339
   45   1HA   GLY   7          1HA       GLY   7  -2.432  -9.551  -7.108
   46   2HA   GLY   7          2HA       GLY   7  -1.380  -8.350  -6.372
   47    H    GLY   8           H        GLY   8  -2.531  -9.560  -3.702
   48   1HA   GLY   8          1HA       GLY   8  -0.413 -11.585  -3.529
   49   2HA   GLY   8          2HA       GLY   8  -1.191 -10.789  -2.169
   50    H    CYS   9           H        CYS   9  -3.877 -11.199  -3.208
   51    HA   CYS   9           HA       CYS   9  -4.157 -13.935  -2.253
   52   1HB   CYS   9          2HB       CYS   9  -6.120 -11.680  -2.634
   53   2HB   CYS   9          1HB       CYS   9  -6.600 -13.300  -2.137
   54    H    GLN  10           H        GLN  10  -5.429 -11.948  -4.895
   55    HA   GLN  10           HA       GLN  10  -6.285 -12.448  -6.938
   56   1HB   GLN  10          2HB       GLN  10  -4.278 -14.299  -6.718
   57   2HB   GLN  10          1HB       GLN  10  -5.684 -15.327  -6.953
   58   1HG   GLN  10          2HG       GLN  10  -4.313 -14.472  -8.994
   59   2HG   GLN  10          1HG       GLN  10  -6.073 -14.559  -9.070
   60   1HE2  GLN  10          1HE2      GLN  10  -3.404 -12.358  -8.344
   61   2HE2  GLN  10          2HE2      GLN  10  -4.207 -10.926  -8.916
   62    H    GLN  11           H        GLN  11  -7.436 -13.231  -4.156
   63    HA   GLN  11           HA       GLN  11  -9.551 -15.050  -5.014
   64   1HB   GLN  11          2HB       GLN  11 -10.038 -15.361  -2.700
   65   2HB   GLN  11          1HB       GLN  11  -8.291 -15.415  -2.862
   66   1HG   GLN  11          2HG       GLN  11  -8.148 -13.105  -2.076
   67   2HG   GLN  11          1HG       GLN  11  -9.904 -13.057  -1.910
   68   1HE2  GLN  11          1HE2      GLN  11  -7.257 -13.189  -0.155
   69   2HE2  GLN  11          2HE2      GLN  11  -7.784 -14.173   1.173
   70    H    ASN  12           H        ASN  12  -9.115 -11.992  -5.455
   71    HA   ASN  12           HA       ASN  12 -10.440 -10.220  -5.925
   72   1HB   ASN  12          2HB       ASN  12 -12.197 -11.300  -6.904
   73   2HB   ASN  12          1HB       ASN  12 -12.465 -12.352  -5.519
   74   1HD2  ASN  12          1HD2      ASN  12 -12.824  -8.985  -6.582
   75   2HD2  ASN  12          2HD2      ASN  12 -14.280  -8.683  -5.676
   76    H    ILE  13           H        ILE  13 -10.861  -8.418  -4.860
   77    HA   ILE  13           HA       ILE  13 -10.801  -8.495  -1.966
   78    HB   ILE  13           HB       ILE  13 -10.949  -6.096  -3.772
   79   1HG1  ILE  13          2HG1      ILE  13  -8.399  -7.028  -2.548
   80   2HG1  ILE  13          1HG1      ILE  13  -8.984  -7.857  -3.982
   81   1HG2  ILE  13          1HG2      ILE  13  -9.614  -6.055  -1.128
   82   2HG2  ILE  13          2HG2      ILE  13 -10.507  -4.787  -1.970
   83   3HG2  ILE  13          3HG2      ILE  13 -11.378  -6.086  -1.158
   84   1HD1  ILE  13          1HD1      ILE  13  -8.771  -5.964  -5.311
   85   2HD1  ILE  13          2HD1      ILE  13  -8.702  -4.881  -3.916
   86   3HD1  ILE  13          3HD1      ILE  13  -7.337  -5.939  -4.281
   87    H    GLY  14           H        GLY  14 -12.751  -9.125  -1.183
   88   1HA   GLY  14          1HA       GLY  14 -15.163  -7.789  -2.219
   89   2HA   GLY  14          2HA       GLY  14 -15.131  -9.293  -1.303
   90    H    ASP  15           H        ASP  15 -13.026  -7.061   0.008
   91    HA   ASP  15           HA       ASP  15 -14.640  -6.758   2.352
   92   1HB   ASP  15          2HB       ASP  15 -11.913  -5.724   1.579
   93   2HB   ASP  15          1HB       ASP  15 -12.690  -5.259   3.090
   94    H    ARG  16           H        ARG  16 -14.374  -4.369   3.360
   95    HA   ARG  16           HA       ARG  16 -16.028  -2.737   1.614
   96   1HB   ARG  16          2HB       ARG  16 -15.863  -1.280   3.889
   97   2HB   ARG  16          1HB       ARG  16 -17.057  -2.540   3.614
   98   1HG   ARG  16          2HG       ARG  16 -16.299  -3.660   5.357
   99   2HG   ARG  16          1HG       ARG  16 -14.696  -3.754   4.628
  100   1HD   ARG  16          2HD       ARG  16 -14.183  -1.520   5.556
  101   2HD   ARG  16          1HD       ARG  16 -15.758  -1.515   6.350
  102    HE   ARG  16           HE       ARG  16 -14.787  -3.743   7.350
  103   1HH1  ARG  16          2HH1      ARG  16 -13.158  -0.660   6.888
  104   2HH1  ARG  16          1HH1      ARG  16 -11.989  -0.957   8.141
  105   1HH2  ARG  16          2HH2      ARG  16 -13.277  -4.103   9.019
  106   2HH2  ARG  16          1HH2      ARG  16 -12.074  -2.896   9.377
  107    H    TYR  17           H        TYR  17 -12.787  -2.765   2.900
  108    HA   TYR  17           HA       TYR  17 -12.238  -0.281   1.431
  109   1HB   TYR  17          2HB       TYR  17 -12.499  -0.330   4.184
  110   2HB   TYR  17          1HB       TYR  17 -10.763  -0.521   3.960
  111    HD1  TYR  17           1HD      TYR  17 -13.531   1.544   2.551
  112    HD2  TYR  17           2HD      TYR  17  -9.522   1.445   3.977
  113    HE1  TYR  17           1HE      TYR  17 -13.355   3.963   2.187
  114    HE2  TYR  17           2HE      TYR  17  -9.340   3.875   3.613
  115    HH   TYR  17           HH       TYR  17 -11.933   5.706   2.045
  116    H    PHE  18           H        PHE  18 -10.075  -0.156   0.630
  117    HA   PHE  18           HA       PHE  18  -8.232  -2.306   1.229
  118   1HB   PHE  18          2HB       PHE  18  -8.203  -3.390  -0.842
  119   2HB   PHE  18          1HB       PHE  18  -9.913  -3.164  -0.514
  120    HD1  PHE  18           1HD      PHE  18  -7.647  -3.174  -3.024
  121    HD2  PHE  18           2HD      PHE  18 -10.687  -0.647  -1.447
  122    HE1  PHE  18           1HE      PHE  18  -7.905  -2.114  -5.225
  123    HE2  PHE  18           2HE      PHE  18 -10.949   0.412  -3.648
  124    HZ   PHE  18           HZ       PHE  18  -9.556  -0.319  -5.541
  125    H    LEU  19           H        LEU  19  -6.423  -2.167  -0.682
  126    HA   LEU  19           HA       LEU  19  -5.709   0.665  -1.000
  127   1HB   LEU  19          2HB       LEU  19  -4.194  -1.566   0.284
  128   2HB   LEU  19          1HB       LEU  19  -3.305  -0.352  -0.606
  129    HG   LEU  19           HG       LEU  19  -5.233   0.524   1.495
  130   1HD1  LEU  19          1HD1      LEU  19  -2.570  -0.774   1.938
  131   2HD1  LEU  19          2HD1      LEU  19  -3.177   0.455   3.048
  132   3HD1  LEU  19          3HD1      LEU  19  -4.090  -1.032   2.795
  133   1HD2  LEU  19          1HD2      LEU  19  -2.600   1.762   1.240
  134   2HD2  LEU  19          2HD2      LEU  19  -3.582   1.850  -0.223
  135   3HD2  LEU  19          3HD2      LEU  19  -4.202   2.498   1.296
  136    H    LYS  20           H        LYS  20  -4.556   1.131  -2.888
  137    HA   LYS  20           HA       LYS  20  -3.449  -0.953  -4.509
  138   1HB   LYS  20          2HB       LYS  20  -5.142  -1.361  -5.926
  139   2HB   LYS  20          1HB       LYS  20  -6.182  -0.374  -4.914
  140   1HG   LYS  20          2HG       LYS  20  -4.526   1.107  -6.841
  141   2HG   LYS  20          1HG       LYS  20  -5.754   0.063  -7.537
  142   1HD   LYS  20          2HD       LYS  20  -6.628   1.740  -5.273
  143   2HD   LYS  20          1HD       LYS  20  -6.226   2.595  -6.763
  144   1HE   LYS  20          2HE       LYS  20  -7.939   0.177  -6.964
  145   2HE   LYS  20          1HE       LYS  20  -8.656   1.638  -6.288
  146   1HZ   LYS  20          1HZ       LYS  20  -8.893   1.318  -8.756
  147   2HZ   LYS  20          2HZ       LYS  20  -7.227   1.630  -8.885
  148   3HZ   LYS  20          3HZ       LYS  20  -8.269   2.818  -8.262
  149    H    ALA  21           H        ALA  21  -2.093  -0.067  -6.228
  150    HA   ALA  21           HA       ALA  21  -2.072   2.597  -7.051
  151   1HB   ALA  21          1HB       ALA  21  -1.575   3.213  -4.757
  152   2HB   ALA  21          2HB       ALA  21  -0.178   2.138  -4.750
  153   3HB   ALA  21          3HB       ALA  21  -0.193   3.558  -5.795
  154    H    ILE  22           H        ILE  22   0.280   0.196  -5.941
  155    HA   ILE  22           HA       ILE  22   2.448   0.655  -7.396
  156    HB   ILE  22           HB       ILE  22   1.173  -1.975  -6.703
  157   1HG1  ILE  22          2HG1      ILE  22   3.390  -0.263  -5.618
  158   2HG1  ILE  22          1HG1      ILE  22   1.977  -0.902  -4.788
  159   1HG2  ILE  22          1HG2      ILE  22   3.525  -2.929  -7.210
  160   2HG2  ILE  22          2HG2      ILE  22   2.380  -2.706  -8.534
  161   3HG2  ILE  22          3HG2      ILE  22   3.675  -1.537  -8.283
  162   1HD1  ILE  22          1HD1      ILE  22   4.536  -2.272  -5.481
  163   2HD1  ILE  22          2HD1      ILE  22   3.709  -2.159  -3.928
  164   3HD1  ILE  22          3HD1      ILE  22   3.066  -3.204  -5.197
  165    H    ASP  23           H        ASP  23  -0.182  -1.359  -8.633
  166    HA   ASP  23           HA       ASP  23  -0.180  -0.467 -11.263
  167   1HB   ASP  23          2HB       ASP  23   2.126  -1.521 -11.263
  168   2HB   ASP  23          1HB       ASP  23   1.343  -3.071 -10.982
  169    H    GLN  24           H        GLN  24  -0.961  -2.501  -8.762
  170    HA   GLN  24           HA       GLN  24  -3.322  -3.468 -10.144
  171   1HB   GLN  24          2HB       GLN  24  -3.063  -5.727  -9.272
  172   2HB   GLN  24          1HB       GLN  24  -1.676  -5.312 -10.268
  173   1HG   GLN  24          2HG       GLN  24  -1.129  -4.589  -7.565
  174   2HG   GLN  24          1HG       GLN  24  -1.705  -6.254  -7.615
  175   1HE2  GLN  24          1HE2      GLN  24   0.205  -4.423  -9.973
  176   2HE2  GLN  24          2HE2      GLN  24   1.565  -5.504  -9.959
  177    H    TYR  25           H        TYR  25  -4.663  -4.692  -8.314
  178    HA   TYR  25           HA       TYR  25  -4.881  -2.733  -6.162
  179   1HB   TYR  25          2HB       TYR  25  -6.831  -4.974  -6.607
  180   2HB   TYR  25          1HB       TYR  25  -7.110  -3.379  -5.905
  181    HD1  TYR  25           1HD      TYR  25  -6.199  -1.480  -7.784
  182    HD2  TYR  25           2HD      TYR  25  -8.025  -5.245  -8.547
  183    HE1  TYR  25           1HE      TYR  25  -6.953  -0.661  -9.974
  184    HE2  TYR  25           2HE      TYR  25  -8.781  -4.438 -10.749
  185    HH   TYR  25           HH       TYR  25  -7.610  -2.182 -12.369
  186    H    TRP  26           H        TRP  26  -5.146  -3.391  -3.980
  187    HA   TRP  26           HA       TRP  26  -4.011  -6.024  -3.349
  188   1HB   TRP  26          2HB       TRP  26  -3.278  -3.413  -1.995
  189   2HB   TRP  26          1HB       TRP  26  -2.650  -5.004  -1.583
  190    HD1  TRP  26           HD       TRP  26  -2.097  -2.101  -3.926
  191    HE1  TRP  26           1HE      TRP  26  -0.032  -2.568  -5.385
  192    HE3  TRP  26           3HE      TRP  26  -1.369  -7.013  -2.731
  193    HZ2  TRP  26           2HZ      TRP  26   1.693  -4.743  -5.944
  194    HZ3  TRP  26           3HZ      TRP  26   0.506  -8.217  -3.764
  195    HH2  TRP  26           HH       TRP  26   2.004  -7.105  -5.341
  196    H    HIS  27           H        HIS  27  -3.996  -5.708  -0.625
  197    HA   HIS  27           HA       HIS  27  -6.833  -5.266   0.038
  198   1HB   HIS  27          2HB       HIS  27  -4.981  -7.449   0.792
  199   2HB   HIS  27          1HB       HIS  27  -5.960  -6.801   2.103
  200    HD2  HIS  27           2HD      HIS  27  -8.852  -6.643   1.042
  201    HE1  HIS  27           1HE      HIS  27  -8.223 -10.465  -0.674
  202    HE2  HIS  27           2HE      HIS  27  -9.962  -8.865   0.266
  203    H    GLU  28           H        GLU  28  -7.039  -4.732   2.468
  204    HA   GLU  28           HA       GLU  28  -5.633  -2.338   2.934
  205   1HB   GLU  28          2HB       GLU  28  -7.773  -3.845   4.174
  206   2HB   GLU  28          1HB       GLU  28  -6.705  -3.147   5.383
  207   1HG   GLU  28          2HG       GLU  28  -7.068  -1.063   3.646
  208   2HG   GLU  28          1HG       GLU  28  -8.638  -1.862   3.622
  209    H    ASP  29           H        ASP  29  -5.272  -5.599   4.255
  210    HA   ASP  29           HA       ASP  29  -2.829  -4.690   5.646
  211   1HB   ASP  29          2HB       ASP  29  -4.805  -5.551   7.018
  212   2HB   ASP  29          1HB       ASP  29  -4.443  -7.138   6.351
  213    H    CYS  30           H        CYS  30  -3.344  -5.868   2.820
  214    HA   CYS  30           HA       CYS  30  -1.844  -8.343   3.025
  215   1HB   CYS  30          2HB       CYS  30  -3.596  -7.139   1.017
  216   2HB   CYS  30          1HB       CYS  30  -2.182  -7.940   0.332
  217    H    LEU  31           H        LEU  31  -1.404  -5.166   1.480
  218    HA   LEU  31           HA       LEU  31   1.137  -5.794   0.400
  219   1HB   LEU  31          2HB       LEU  31  -0.355  -3.882  -0.303
  220   2HB   LEU  31          1HB       LEU  31   0.156  -3.043   1.152
  221    HG   LEU  31           HG       LEU  31   2.499  -3.137   0.355
  222   1HD1  LEU  31          1HD1      LEU  31   1.727  -5.160  -1.238
  223   2HD1  LEU  31          2HD1      LEU  31   1.660  -3.825  -2.386
  224   3HD1  LEU  31          3HD1      LEU  31   3.163  -4.180  -1.536
  225   1HD2  LEU  31          1HD2      LEU  31   2.309  -1.322  -1.090
  226   2HD2  LEU  31          2HD2      LEU  31   0.811  -1.925  -1.801
  227   3HD2  LEU  31          3HD2      LEU  31   0.808  -1.269  -0.162
  228    H    SER  32           H        SER  32   2.810  -6.367   1.570
  229    HA   SER  32           HA       SER  32   3.475  -4.788   3.955
  230   1HB   SER  32          2HB       SER  32   4.313  -7.338   4.622
  231   2HB   SER  32          1HB       SER  32   2.860  -6.542   5.232
  232    HG   SER  32           HG       SER  32   1.974  -7.441   3.075
  233    H    CYS  33           H        CYS  33   5.755  -5.753   4.746
  234    HA   CYS  33           HA       CYS  33   7.696  -4.911   2.977
  235   1HB   CYS  33          2HB       CYS  33   7.575  -6.401   5.528
  236   2HB   CYS  33          1HB       CYS  33   9.060  -6.576   4.610
  237    H    ASP  34           H        ASP  34   8.099  -5.811   1.042
  238    HA   ASP  34           HA       ASP  34   7.802  -8.637   0.538
  239   1HB   ASP  34          2HB       ASP  34   7.554  -6.623  -1.124
  240   2HB   ASP  34          1HB       ASP  34   9.295  -6.786  -1.286
  241    H    LEU  35           H        LEU  35  10.385  -6.356   1.083
  242    HA   LEU  35           HA       LEU  35  12.470  -8.267   0.589
  243   1HB   LEU  35          2HB       LEU  35  12.651  -5.804   0.180
  244   2HB   LEU  35          1HB       LEU  35  12.670  -5.563   1.914
  245    HG   LEU  35           HG       LEU  35  14.728  -7.051   1.969
  246   1HD1  LEU  35          1HD1      LEU  35  14.521  -8.114  -0.180
  247   2HD1  LEU  35          2HD1      LEU  35  14.579  -6.553  -1.000
  248   3HD1  LEU  35          3HD1      LEU  35  16.003  -7.157  -0.151
  249   1HD2  LEU  35          1HD2      LEU  35  15.407  -4.689   0.329
  250   2HD2  LEU  35          2HD2      LEU  35  14.475  -4.397   1.798
  251   3HD2  LEU  35          3HD2      LEU  35  16.037  -5.209   1.891
  252    H    CYS  36           H        CYS  36  11.635  -6.389   3.491
  253    HA   CYS  36           HA       CYS  36  13.210  -8.016   5.181
  254   1HB   CYS  36          2HB       CYS  36  11.105  -6.224   6.286
  255   2HB   CYS  36          1HB       CYS  36  12.775  -6.444   6.798
  256    H    GLY  37           H        GLY  37   9.701  -7.443   5.228
  257   1HA   GLY  37          1HA       GLY  37   8.290  -9.473   5.115
  258   2HA   GLY  37          2HA       GLY  37   9.396 -10.191   6.277
  259    H    CYS  38           H        CYS  38   8.732  -6.902   6.916
  260    HA   CYS  38           HA       CYS  38   6.765  -7.725   8.942
  261   1HB   CYS  38          2HB       CYS  38   7.869  -5.209   9.642
  262   2HB   CYS  38          1HB       CYS  38   8.067  -6.751  10.465
  263    HG   CYS  38           HG       CYS  38  10.286  -4.978   8.813
  264    H    ARG  39           H        ARG  39   7.431  -4.355   8.317
  265    HA   ARG  39           HA       ARG  39   5.098  -4.083   6.609
  266   1HB   ARG  39          2HB       ARG  39   4.863  -3.695   9.364
  267   2HB   ARG  39          1HB       ARG  39   4.994  -2.074   8.699
  268   1HG   ARG  39          2HG       ARG  39   2.974  -2.172   7.711
  269   2HG   ARG  39          1HG       ARG  39   3.140  -3.880   7.301
  270   1HD   ARG  39          2HD       ARG  39   2.984  -4.050   9.985
  271   2HD   ARG  39          1HD       ARG  39   2.013  -2.604   9.710
  272    HE   ARG  39           HE       ARG  39   0.386  -3.900   8.732
  273   1HH1  ARG  39          2HH1      ARG  39   3.291  -5.818   9.209
  274   2HH1  ARG  39          1HH1      ARG  39   2.543  -7.303   8.702
  275   1HH2  ARG  39          2HH2      ARG  39  -0.611  -5.874   8.107
  276   2HH2  ARG  39          1HH2      ARG  39   0.324  -7.346   8.129
  277    H    LEU  40           H        LEU  40   5.087  -2.174   5.410
  278    HA   LEU  40           HA       LEU  40   7.705  -1.029   5.048
  279   1HB   LEU  40          2HB       LEU  40   5.425   0.056   3.516
  280   2HB   LEU  40          1HB       LEU  40   7.014  -0.441   2.966
  281    HG   LEU  40           HG       LEU  40   5.463  -2.733   3.816
  282   1HD1  LEU  40          1HD1      LEU  40   3.441  -1.993   3.165
  283   2HD1  LEU  40          2HD1      LEU  40   4.113  -0.710   2.157
  284   3HD1  LEU  40          3HD1      LEU  40   4.057  -2.368   1.554
  285   1HD2  LEU  40          1HD2      LEU  40   6.041  -2.522   0.997
  286   2HD2  LEU  40          2HD2      LEU  40   7.441  -2.100   1.982
  287   3HD2  LEU  40          3HD2      LEU  40   6.652  -3.663   2.196
  288    H    GLY  41           H        GLY  41   7.257  -0.175   7.415
  289   1HA   GLY  41          1HA       GLY  41   7.286   1.775   8.655
  290   2HA   GLY  41          2HA       GLY  41   6.984   2.672   7.168
  291    H    GLU  42           H        GLU  42   5.090   0.086   8.609
  292    HA   GLU  42           HA       GLU  42   2.928  -0.113   9.199
  293   1HB   GLU  42          2HB       GLU  42   3.586   2.633  10.192
  294   2HB   GLU  42          1HB       GLU  42   1.983   1.947  10.425
  295   1HG   GLU  42          2HG       GLU  42   4.592   1.124  11.600
  296   2HG   GLU  42          1HG       GLU  42   3.039   1.393  12.391
  297    H    VAL  43           H        VAL  43   2.410   3.300   8.594
  298    HA   VAL  43           HA       VAL  43   0.322   2.688   6.701
  299    HB   VAL  43           HB       VAL  43   1.344   5.467   7.205
  300   1HG1  VAL  43          1HG1      VAL  43  -1.018   6.046   6.887
  301   2HG1  VAL  43          2HG1      VAL  43  -0.380   5.151   5.508
  302   3HG1  VAL  43          3HG1      VAL  43  -1.408   4.337   6.687
  303   1HG2  VAL  43          1HG2      VAL  43   1.051   5.157   9.409
  304   2HG2  VAL  43          2HG2      VAL  43  -0.671   5.188   9.031
  305   3HG2  VAL  43          3HG2      VAL  43   0.170   3.646   9.176
  306    H    GLY  44           H        GLY  44   0.484   2.686   4.549
  307   1HA   GLY  44          1HA       GLY  44   3.075   2.897   3.344
  308   2HA   GLY  44          2HA       GLY  44   1.568   2.517   2.525
  309    H    ARG  45           H        ARG  45   3.733   5.019   3.541
  310    HA   ARG  45           HA       ARG  45   2.231   6.962   1.908
  311   1HB   ARG  45          2HB       ARG  45   2.775   7.287   4.493
  312   2HB   ARG  45          1HB       ARG  45   4.313   7.847   3.850
  313   1HG   ARG  45          2HG       ARG  45   2.570   9.213   2.288
  314   2HG   ARG  45          1HG       ARG  45   1.670   9.113   3.804
  315   1HD   ARG  45          2HD       ARG  45   4.176  10.550   3.164
  316   2HD   ARG  45          1HD       ARG  45   2.854  11.001   4.239
  317    HE   ARG  45           HE       ARG  45   3.810   9.288   5.812
  318   1HH1  ARG  45          2HH1      ARG  45   5.802  10.905   3.422
  319   2HH1  ARG  45          1HH1      ARG  45   7.262  10.779   4.363
  320   1HH2  ARG  45          2HH2      ARG  45   5.746   9.064   7.028
  321   2HH2  ARG  45          1HH2      ARG  45   7.242   9.662   6.364
  322    H    ARG  46           H        ARG  46   5.308   5.480   2.591
  323    HA   ARG  46           HA       ARG  46   6.393   6.704   0.140
  324   1HB   ARG  46          2HB       ARG  46   8.046   5.797   2.504
  325   2HB   ARG  46          1HB       ARG  46   8.592   6.698   1.095
  326   1HG   ARG  46          2HG       ARG  46   6.749   8.407   1.998
  327   2HG   ARG  46          1HG       ARG  46   7.194   7.636   3.521
  328   1HD   ARG  46          2HD       ARG  46   8.822   9.184   3.554
  329   2HD   ARG  46          1HD       ARG  46   9.637   8.081   2.444
  330    HE   ARG  46           HE       ARG  46   8.077   9.709   0.863
  331   1HH1  ARG  46          2HH1      ARG  46  10.691  10.166   3.152
  332   2HH1  ARG  46          1HH1      ARG  46  11.323  11.561   2.331
  333   1HH2  ARG  46          2HH2      ARG  46   8.890  11.555  -0.194
  334   2HH2  ARG  46          1HH2      ARG  46  10.307  12.357   0.427
  335    H    LEU  47           H        LEU  47   5.471   4.912  -0.983
  336    HA   LEU  47           HA       LEU  47   6.978   2.412  -0.628
  337   1HB   LEU  47          2HB       LEU  47   4.537   2.405   0.222
  338   2HB   LEU  47          1HB       LEU  47   4.094   2.445  -1.473
  339    HG   LEU  47           HG       LEU  47   4.296   0.168  -0.116
  340   1HD1  LEU  47          1HD1      LEU  47   5.441  -0.148  -2.795
  341   2HD1  LEU  47          2HD1      LEU  47   3.958  -0.806  -2.104
  342   3HD1  LEU  47          3HD1      LEU  47   3.984   0.844  -2.726
  343   1HD2  LEU  47          1HD2      LEU  47   6.364  -0.911  -0.255
  344   2HD2  LEU  47          2HD2      LEU  47   7.024   0.299  -1.356
  345   3HD2  LEU  47          3HD2      LEU  47   6.748   0.706   0.336
  346    H    TYR  48           H        TYR  48   8.240   2.341  -2.324
  347    HA   TYR  48           HA       TYR  48   7.008   2.649  -4.960
  348   1HB   TYR  48          2HB       TYR  48   8.467   4.223  -5.570
  349   2HB   TYR  48          1HB       TYR  48   9.062   4.269  -3.917
  350    HD1  TYR  48           1HD      TYR  48  11.135   3.272  -3.324
  351    HD2  TYR  48           2HD      TYR  48   9.641   2.937  -7.281
  352    HE1  TYR  48           1HE      TYR  48  13.343   2.478  -4.077
  353    HE2  TYR  48           2HE      TYR  48  11.839   2.140  -8.061
  354    HH   TYR  48           HH       TYR  48  14.017   1.920  -7.508
  355    H    TYR  49           H        TYR  49   7.161   0.911  -6.165
  356    HA   TYR  49           HA       TYR  49   8.759  -1.299  -5.161
  357   1HB   TYR  49          2HB       TYR  49   7.374  -2.728  -6.387
  358   2HB   TYR  49          1HB       TYR  49   6.278  -1.450  -5.862
  359    HD1  TYR  49           1HD      TYR  49   5.786   0.430  -7.559
  360    HD2  TYR  49           2HD      TYR  49   7.539  -3.293  -8.628
  361    HE1  TYR  49           1HE      TYR  49   5.097   0.787  -9.891
  362    HE2  TYR  49           2HE      TYR  49   6.858  -2.949 -10.969
  363    HH   TYR  49           HH       TYR  49   4.622  -0.598 -11.905
  364    H    LYS  50           H        LYS  50  10.315  -2.360  -6.367
  365    HA   LYS  50           HA       LYS  50  11.784  -0.663  -8.150
  366   1HB   LYS  50          2HB       LYS  50  12.247  -3.153  -6.654
  367   2HB   LYS  50          1HB       LYS  50  13.079  -3.070  -8.198
  368   1HG   LYS  50          2HG       LYS  50  13.654  -0.628  -7.212
  369   2HG   LYS  50          1HG       LYS  50  13.532  -1.562  -5.719
  370   1HD   LYS  50          2HD       LYS  50  15.425  -2.698  -6.136
  371   2HD   LYS  50          1HD       LYS  50  15.047  -2.883  -7.850
  372   1HE   LYS  50          2HE       LYS  50  15.704  -0.508  -8.188
  373   2HE   LYS  50          1HE       LYS  50  16.214  -0.453  -6.502
  374   1HZ   LYS  50          1HZ       LYS  50  18.176  -1.153  -7.229
  375   2HZ   LYS  50          2HZ       LYS  50  17.573  -1.520  -8.774
  376   3HZ   LYS  50          3HZ       LYS  50  17.461  -2.662  -7.525
  377    H    LEU  51           H        LEU  51  12.739  -1.645 -10.154
  378    HA   LEU  51           HA       LEU  51  11.066  -1.777 -12.181
  379   1HB   LEU  51          2HB       LEU  51  12.728  -2.740 -13.532
  380   2HB   LEU  51          1HB       LEU  51  13.562  -1.848 -12.278
  381    HG   LEU  51           HG       LEU  51  13.139  -4.825 -12.109
  382   1HD1  LEU  51          1HD1      LEU  51  14.672  -3.501 -14.041
  383   2HD1  LEU  51          2HD1      LEU  51  15.816  -4.083 -12.832
  384   3HD1  LEU  51          3HD1      LEU  51  14.712  -5.212 -13.618
  385   1HD2  LEU  51          1HD2      LEU  51  14.830  -2.809 -10.678
  386   2HD2  LEU  51          2HD2      LEU  51  13.749  -4.034 -10.014
  387   3HD2  LEU  51          3HD2      LEU  51  15.291  -4.511 -10.727
  388    H    GLY  52           H        GLY  52  11.958  -4.756 -10.431
  389   1HA   GLY  52          1HA       GLY  52   9.460  -5.925 -11.452
  390   2HA   GLY  52          2HA       GLY  52  10.963  -6.822 -11.617
  391    H    ARG  53           H        ARG  53  10.461  -4.847  -8.814
  392    HA   ARG  53           HA       ARG  53   9.690  -7.196  -7.231
  393   1HB   ARG  53          2HB       ARG  53  11.847  -5.333  -6.258
  394   2HB   ARG  53          1HB       ARG  53  11.400  -6.912  -5.626
  395   1HG   ARG  53          2HG       ARG  53  12.148  -7.438  -8.229
  396   2HG   ARG  53          1HG       ARG  53  13.292  -6.205  -7.695
  397   1HD   ARG  53          2HD       ARG  53  14.308  -7.600  -6.268
  398   2HD   ARG  53          1HD       ARG  53  12.784  -8.301  -5.719
  399    HE   ARG  53           HE       ARG  53  14.229  -9.104  -8.167
  400   1HH1  ARG  53          2HH1      ARG  53  12.070  -9.820  -5.488
  401   2HH1  ARG  53          1HH1      ARG  53  11.882 -11.497  -5.929
  402   1HH2  ARG  53          2HH2      ARG  53  13.993 -11.302  -8.728
  403   2HH2  ARG  53          1HH2      ARG  53  12.978 -12.331  -7.761
  404    H    LYS  54           H        LYS  54   7.877  -6.639  -6.213
  405    HA   LYS  54           HA       LYS  54   7.270  -3.863  -5.649
  406   1HB   LYS  54          2HB       LYS  54   5.177  -4.895  -4.593
  407   2HB   LYS  54          1HB       LYS  54   5.380  -5.071  -6.329
  408   1HG   LYS  54          2HG       LYS  54   5.254  -7.271  -6.166
  409   2HG   LYS  54          1HG       LYS  54   6.580  -7.300  -4.999
  410   1HD   LYS  54          2HD       LYS  54   5.099  -7.033  -3.169
  411   2HD   LYS  54          1HD       LYS  54   3.756  -6.604  -4.229
  412   1HE   LYS  54          2HE       LYS  54   3.428  -8.848  -3.464
  413   2HE   LYS  54          1HE       LYS  54   3.842  -8.895  -5.180
  414   1HZ   LYS  54          1HZ       LYS  54   4.974 -10.494  -3.471
  415   2HZ   LYS  54          2HZ       LYS  54   6.002  -9.170  -3.207
  416   3HZ   LYS  54          3HZ       LYS  54   5.858  -9.840  -4.762
  417    H    LEU  55           H        LEU  55   9.450  -4.171  -4.336
  418    HA   LEU  55           HA       LEU  55   8.925  -5.060  -1.616
  419   1HB   LEU  55          2HB       LEU  55  11.193  -5.182  -1.287
  420   2HB   LEU  55          1HB       LEU  55  11.051  -5.577  -2.988
  421    HG   LEU  55           HG       LEU  55  11.476  -2.722  -2.432
  422   1HD1  LEU  55          1HD1      LEU  55  12.881  -4.250  -0.768
  423   2HD1  LEU  55          2HD1      LEU  55  13.922  -4.369  -2.188
  424   3HD1  LEU  55          3HD1      LEU  55  13.541  -2.789  -1.503
  425   1HD2  LEU  55          1HD2      LEU  55  13.159  -3.085  -4.245
  426   2HD2  LEU  55          2HD2      LEU  55  12.654  -4.775  -4.287
  427   3HD2  LEU  55          3HD2      LEU  55  11.501  -3.501  -4.679
  428    H    CYS  56           H        CYS  56  10.126  -3.606   0.064
  429    HA   CYS  56           HA       CYS  56   8.658  -1.207   0.259
  430   1HB   CYS  56          2HB       CYS  56  10.876  -1.270   2.058
  431   2HB   CYS  56          1HB       CYS  56   9.175  -1.603   2.403
  432    H    ARG  57           H        ARG  57   9.519   0.933   0.507
  433    HA   ARG  57           HA       ARG  57  11.650   1.423  -1.425
  434   1HB   ARG  57          2HB       ARG  57  10.059   2.890  -2.082
  435   2HB   ARG  57          1HB       ARG  57   9.261   2.869  -0.519
  436   1HG   ARG  57          2HG       ARG  57   9.979   5.075  -0.840
  437   2HG   ARG  57          1HG       ARG  57  11.121   4.368   0.304
  438   1HD   ARG  57          2HD       ARG  57  12.800   4.170  -1.334
  439   2HD   ARG  57          1HD       ARG  57  11.655   4.425  -2.651
  440    HE   ARG  57           HE       ARG  57  11.566   6.721  -1.126
  441   1HH1  ARG  57          2HH1      ARG  57  14.015   4.960  -2.891
  442   2HH1  ARG  57          1HH1      ARG  57  14.885   6.381  -3.381
  443   1HH2  ARG  57          2HH2      ARG  57  12.757   8.602  -1.671
  444   2HH2  ARG  57          1HH2      ARG  57  14.196   8.458  -2.646
  445    H    ARG  58           H        ARG  58  10.741   2.246   1.898
  446    HA   ARG  58           HA       ARG  58  13.154   3.730   2.335
  447   1HB   ARG  58          2HB       ARG  58  11.089   2.681   4.278
  448   2HB   ARG  58          1HB       ARG  58  12.430   3.719   4.729
  449   1HG   ARG  58          2HG       ARG  58   9.914   4.370   3.320
  450   2HG   ARG  58          1HG       ARG  58  10.825   5.299   4.508
  451   1HD   ARG  58          2HD       ARG  58  12.020   4.886   1.814
  452   2HD   ARG  58          1HD       ARG  58  10.689   6.031   1.969
  453    HE   ARG  58           HE       ARG  58  12.908   6.348   3.834
  454   1HH1  ARG  58          2HH1      ARG  58  11.271   7.462   0.914
  455   2HH1  ARG  58          1HH1      ARG  58  12.205   8.927   0.817
  456   1HH2  ARG  58          2HH2      ARG  58  14.105   8.293   3.694
  457   2HH2  ARG  58          1HH2      ARG  58  13.792   9.402   2.382
  458    H    ASP  59           H        ASP  59  12.211   0.430   2.577
  459    HA   ASP  59           HA       ASP  59  14.504  -0.302   4.204
  460   1HB   ASP  59          2HB       ASP  59  12.411  -2.026   2.857
  461   2HB   ASP  59          1HB       ASP  59  13.659  -2.613   3.952
  462    H    TYR  60           H        TYR  60  13.523  -0.198   0.876
  463    HA   TYR  60           HA       TYR  60  15.659  -1.692  -0.265
  464   1HB   TYR  60          2HB       TYR  60  14.328  -1.234  -2.031
  465   2HB   TYR  60          1HB       TYR  60  13.555   0.104  -1.191
  466    HD1  TYR  60           1HD      TYR  60  14.533   2.400  -1.357
  467    HD2  TYR  60           2HD      TYR  60  16.050  -0.864  -3.634
  468    HE1  TYR  60           1HE      TYR  60  15.673   3.982  -2.852
  469    HE2  TYR  60           2HE      TYR  60  17.205   0.716  -5.126
  470    HH   TYR  60           HH       TYR  60  17.789   2.844  -5.463
  471    H    LEU  61           H        LEU  61  15.245   1.524   0.964
  472    HA   LEU  61           HA       LEU  61  17.470   2.779  -0.124
  473   1HB   LEU  61          2HB       LEU  61  15.388   3.405   1.580
  474   2HB   LEU  61          1HB       LEU  61  16.823   3.687   2.553
  475    HG   LEU  61           HG       LEU  61  17.085   4.823  -0.102
  476   1HD1  LEU  61          1HD1      LEU  61  14.539   5.130   1.253
  477   2HD1  LEU  61          2HD1      LEU  61  15.348   6.674   0.981
  478   3HD1  LEU  61          3HD1      LEU  61  15.019   5.599  -0.378
  479   1HD2  LEU  61          1HD2      LEU  61  17.403   6.886   1.426
  480   2HD2  LEU  61          2HD2      LEU  61  17.358   5.711   2.741
  481   3HD2  LEU  61          3HD2      LEU  61  18.589   5.581   1.483
  482    H    ARG  62           H        ARG  62  17.294   0.451   2.415
  483    HA   ARG  62           HA       ARG  62  19.682   1.127   3.777
  484   1HB   ARG  62          2HB       ARG  62  17.760  -1.048   3.763
  485   2HB   ARG  62          1HB       ARG  62  19.401  -1.638   3.965
  486   1HG   ARG  62          2HG       ARG  62  17.850   0.229   5.716
  487   2HG   ARG  62          1HG       ARG  62  18.633  -1.295   6.136
  488   1HD   ARG  62          2HD       ARG  62  20.530  -0.253   6.645
  489   2HD   ARG  62          1HD       ARG  62  20.555   0.571   5.087
  490    HE   ARG  62           HE       ARG  62  18.678   1.850   6.738
  491   1HH1  ARG  62          2HH1      ARG  62  22.145   1.348   6.567
  492   2HH1  ARG  62          1HH1      ARG  62  22.525   2.867   7.332
  493   1HH2  ARG  62          2HH2      ARG  62  19.168   3.825   7.730
  494   2HH2  ARG  62          1HH2      ARG  62  20.826   4.286   7.987
  495    H    LEU  63           H        LEU  63  19.053  -0.484   0.765
  496    HA   LEU  63           HA       LEU  63  21.914  -1.156   0.557
  497   1HB   LEU  63          2HB       LEU  63  21.058  -2.723  -1.311
  498   2HB   LEU  63          1HB       LEU  63  20.860  -3.200   0.364
  499    HG   LEU  63           HG       LEU  63  18.560  -1.725  -0.663
  500   1HD1  LEU  63          1HD1      LEU  63  18.305  -4.344  -1.756
  501   2HD1  LEU  63          2HD1      LEU  63  18.164  -2.784  -2.569
  502   3HD1  LEU  63          3HD1      LEU  63  19.736  -3.574  -2.440
  503   1HD2  LEU  63          1HD2      LEU  63  18.734  -4.505   0.461
  504   2HD2  LEU  63          2HD2      LEU  63  18.766  -3.055   1.464
  505   3HD2  LEU  63          3HD2      LEU  63  17.352  -3.411   0.470
  506    H    GLY  64           H        GLY  64  19.139   0.200  -1.160
  507   1HA   GLY  64          1HA       GLY  64  20.898   0.907  -3.399
  508   2HA   GLY  64          2HA       GLY  64  19.143   0.906  -3.427
  509    H    GLY  65           H        GLY  65  19.642   2.388  -0.657
  510   1HA   GLY  65          1HA       GLY  65  19.876   5.046  -1.925
  511   2HA   GLY  65          2HA       GLY  65  18.848   4.711  -0.535
  512    H    SER  66           H        SER  66  22.145   3.650  -1.167
  513    HA   SER  66           HA       SER  66  23.869   3.450   0.341
  514   1HB   SER  66          2HB       SER  66  23.775   6.452   0.334
  515   2HB   SER  66          1HB       SER  66  25.176   5.383   0.247
  516    HG   SER  66           HG       SER  66  23.198   5.559  -1.788
  517    H    GLY  67           H        GLY  67  21.582   3.162   1.827
  518   1HA   GLY  67          1HA       GLY  67  20.500   3.596   3.836
  519   2HA   GLY  67          2HA       GLY  67  22.072   3.059   4.383
  520    H    GLY  68           H        GLY  68  21.174   6.177   2.932
  521   1HA   GLY  68          1HA       GLY  68  21.306   8.315   3.752
  522   2HA   GLY  68          2HA       GLY  68  20.835   7.612   5.290
  523    H    HIS  69           H        HIS  69  23.804   6.877   3.547
  524    HA   HIS  69           HA       HIS  69  25.451   7.174   5.784
  525   1HB   HIS  69          2HB       HIS  69  25.820   6.738   2.907
  526   2HB   HIS  69          1HB       HIS  69  27.159   7.590   3.667
  527    HD2  HIS  69           2HD      HIS  69  25.143   4.319   4.609
  528    HE1  HIS  69           1HE      HIS  69  29.290   3.753   5.240
  529    HE2  HIS  69           2HE      HIS  69  26.983   2.753   5.560
  530    H    MET  70           H        MET  70  25.369   9.288   2.922
  531    HA   MET  70           HA       MET  70  26.408  11.496   4.556
  532   1HB   MET  70          2HB       MET  70  26.006  11.256   1.567
  533   2HB   MET  70          1HB       MET  70  26.697  12.654   2.381
  534   1HG   MET  70          2HG       MET  70  28.207  10.501   3.273
  535   2HG   MET  70          1HG       MET  70  27.947  10.193   1.559
  536   1HE   MET  70          1HE       MET  70  30.033  12.132  -0.334
  537   2HE   MET  70          2HE       MET  70  30.946  11.023   0.692
  538   3HE   MET  70          3HE       MET  70  29.333  10.581   0.130
  539    H    GLY  71           H        GLY  71  23.556  10.245   3.271
  540   1HA   GLY  71          1HA       GLY  71  21.411  11.204   3.931
  541   2HA   GLY  71          2HA       GLY  71  22.141  12.795   3.734
  542    H    SER  72           H        SER  72  23.560  12.008   1.344
  543    HA   SER  72           HA       SER  72  21.395  12.269  -0.582
  544   1HB   SER  72          2HB       SER  72  24.264  12.269  -1.395
  545   2HB   SER  72          1HB       SER  72  22.931  13.273  -1.971
  546    HG   SER  72           HG       SER  72  23.027  14.415   0.013
  547    H    GLY  73           H        GLY  73  22.070  11.097  -2.784
  548   1HA   GLY  73          1HA       GLY  73  23.419   8.649  -2.720
  549   2HA   GLY  73          2HA       GLY  73  21.728   8.334  -2.348
  550    H    GLY  74           H        GLY  74  21.940   7.080  -4.420
  551   1HA   GLY  74          1HA       GLY  74  20.446   7.857  -6.422
  552   2HA   GLY  74          2HA       GLY  74  21.874   8.818  -6.782
  553    H    ASP  75           H        ASP  75  20.927   7.054  -8.612
  554    HA   ASP  75           HA       ASP  75  22.632   4.679  -8.436
  555   1HB   ASP  75          2HB       ASP  75  20.248   4.444  -9.177
  556   2HB   ASP  75          1HB       ASP  75  20.638   5.428 -10.585
  557    H    VAL  76           H        VAL  76  24.527   4.596  -9.451
  558    HA   VAL  76           HA       VAL  76  25.524   6.911 -10.771
  559    HB   VAL  76           HB       VAL  76  26.832   4.193 -10.747
  560   1HG1  VAL  76          1HG1      VAL  76  28.194   6.865 -10.688
  561   2HG1  VAL  76          2HG1      VAL  76  28.840   5.298 -11.175
  562   3HG1  VAL  76          3HG1      VAL  76  27.682   6.134 -12.210
  563   1HG2  VAL  76          1HG2      VAL  76  28.026   5.117  -8.704
  564   2HG2  VAL  76          2HG2      VAL  76  26.746   6.330  -8.631
  565   3HG2  VAL  76          3HG2      VAL  76  26.350   4.617  -8.476
  566    H    MET  77           H        MET  77  24.519   7.377 -12.625
  567    HA   MET  77           HA       MET  77  23.917   5.379 -14.596
  568   1HB   MET  77          2HB       MET  77  23.780   8.358 -15.005
  569   2HB   MET  77          1HB       MET  77  22.813   7.103 -15.775
  570   1HG   MET  77          2HG       MET  77  21.611   6.691 -13.780
  571   2HG   MET  77          1HG       MET  77  22.714   7.680 -12.834
  572   1HE   MET  77          1HE       MET  77  20.986   8.791 -11.698
  573   2HE   MET  77          2HE       MET  77  21.878  10.243 -12.149
  574   3HE   MET  77          3HE       MET  77  20.121  10.207 -12.292
  575    H    VAL  78           H        VAL  78  24.676   5.363 -16.761
  576    HA   VAL  78           HA       VAL  78  27.474   5.455 -16.928
  577    HB   VAL  78           HB       VAL  78  27.216   4.866 -19.292
  578   1HG1  VAL  78          1HG1      VAL  78  26.712   3.304 -17.233
  579   2HG1  VAL  78          2HG1      VAL  78  25.091   3.297 -17.930
  580   3HG1  VAL  78          3HG1      VAL  78  26.464   2.745 -18.888
  581   1HG2  VAL  78          1HG2      VAL  78  25.388   5.284 -20.516
  582   2HG2  VAL  78          2HG2      VAL  78  24.306   4.686 -19.258
  583   3HG2  VAL  78          3HG2      VAL  78  24.901   6.345 -19.193
  584    H    VAL  79           H        VAL  79  25.217   7.921 -17.424
  585    HA   VAL  79           HA       VAL  79  26.777   9.449 -19.301
  586    HB   VAL  79           HB       VAL  79  24.976  11.179 -17.976
  587   1HG1  VAL  79          1HG1      VAL  79  23.777  11.036 -20.179
  588   2HG1  VAL  79          2HG1      VAL  79  25.500  11.402 -20.279
  589   3HG1  VAL  79          3HG1      VAL  79  24.922   9.774 -20.633
  590   1HG2  VAL  79          1HG2      VAL  79  23.148  10.038 -17.411
  591   2HG2  VAL  79          2HG2      VAL  79  23.159   9.148 -18.933
  592   3HG2  VAL  79          3HG2      VAL  79  24.107   8.566 -17.565
  593    H    GLY  80           H        GLY  80  27.723   8.613 -16.477
  594   1HA   GLY  80          1HA       GLY  80  29.324   9.487 -15.072
  595   2HA   GLY  80          2HA       GLY  80  29.284  10.967 -16.020
  596    H    GLU  81           H        GLU  81  26.603   9.390 -14.374
  597    HA   GLU  81           HA       GLU  81  26.338  11.788 -12.688
  598   1HB   GLU  81          2HB       GLU  81  24.016   9.976 -13.197
  599   2HB   GLU  81          1HB       GLU  81  24.031  11.704 -12.873
  600   1HG   GLU  81          2HG       GLU  81  25.362  11.295 -15.330
  601   2HG   GLU  81          1HG       GLU  81  23.879  10.344 -15.367
  602    HA   PRO  82           HA       PRO  82  27.070   8.490  -9.695
  603   1HB   PRO  82          2HB       PRO  82  28.636   9.876  -8.041
  604   2HB   PRO  82          1HB       PRO  82  29.226   9.365  -9.623
  605   1HG   PRO  82          2HG       PRO  82  28.262  12.047  -8.736
  606   2HG   PRO  82          1HG       PRO  82  29.618  11.639  -9.802
  607   1HD   PRO  82          2HD       PRO  82  27.076  12.430 -10.635
  608   2HD   PRO  82          1HD       PRO  82  28.281  11.608 -11.644
  609    H    THR  83           H        THR  83  27.448   9.629  -6.980
  610    HA   THR  83           HA       THR  83  24.834   9.490  -6.019
  611    HB   THR  83           HB       THR  83  26.445  10.990  -4.196
  612    HG1  THR  83           1HG      THR  83  28.399  10.258  -4.550
  613   1HG2  THR  83          1HG2      THR  83  26.477   8.174  -3.660
  614   2HG2  THR  83          2HG2      THR  83  24.885   8.637  -4.263
  615   3HG2  THR  83          3HG2      THR  83  25.560   9.446  -2.849
  616    H    LEU  84           H        LEU  84  23.242  10.915  -6.244
  617    HA   LEU  84           HA       LEU  84  23.752  13.659  -6.964
  618   1HB   LEU  84          2HB       LEU  84  21.214  12.109  -6.450
  619   2HB   LEU  84          1HB       LEU  84  21.234  13.807  -6.887
  620    HG   LEU  84           HG       LEU  84  22.803  12.458  -8.812
  621   1HD1  LEU  84          1HD1      LEU  84  20.854  11.006  -9.703
  622   2HD1  LEU  84          2HD1      LEU  84  21.912  10.354  -8.452
  623   3HD1  LEU  84          3HD1      LEU  84  20.323  10.987  -8.022
  624   1HD2  LEU  84          1HD2      LEU  84  21.240  13.363 -10.343
  625   2HD2  LEU  84          2HD2      LEU  84  19.974  13.437  -9.115
  626   3HD2  LEU  84          3HD2      LEU  84  21.369  14.515  -9.013
  627    H    MET  85           H        MET  85  23.877  15.328  -5.618
  628    HA   MET  85           HA       MET  85  23.765  14.818  -2.794
  629   1HB   MET  85          2HB       MET  85  25.260  16.479  -4.344
  630   2HB   MET  85          1HB       MET  85  24.089  17.607  -3.669
  631   1HG   MET  85          2HG       MET  85  25.190  17.650  -1.757
  632   2HG   MET  85          1HG       MET  85  25.011  15.907  -1.584
  633   1HE   MET  85          1HE       MET  85  27.050  17.137  -0.198
  634   2HE   MET  85          2HE       MET  85  28.694  16.744  -0.705
  635   3HE   MET  85          3HE       MET  85  27.972  18.286  -1.169
  636    H    GLY  86           H        GLY  86  21.314  15.282  -4.787
  637   1HA   GLY  86          1HA       GLY  86  19.870  17.234  -3.156
  638   2HA   GLY  86          2HA       GLY  86  19.314  16.532  -4.669
  639    H    GLY  87           H        GLY  87  20.502  14.021  -2.938
  640   1HA   GLY  87          1HA       GLY  87  19.598  12.567  -1.336
  641   2HA   GLY  87          2HA       GLY  87  18.194  13.615  -1.216
  642    H    GLU  88           H        GLU  88  18.609  13.229  -4.423
  643    HA   GLU  88           HA       GLU  88  16.462  11.341  -4.607
  644   1HB   GLU  88          2HB       GLU  88  18.101  12.457  -6.874
  645   2HB   GLU  88          1HB       GLU  88  16.438  11.880  -6.918
  646   1HG   GLU  88          2HG       GLU  88  15.811  13.984  -6.661
  647   2HG   GLU  88          1HG       GLU  88  16.405  13.887  -5.013
  648    H    PHE  89           H        PHE  89  16.922   9.284  -4.214
  649    HA   PHE  89           HA       PHE  89  19.487   8.164  -4.866
  650   1HB   PHE  89          2HB       PHE  89  17.098   6.621  -3.877
  651   2HB   PHE  89          1HB       PHE  89  18.808   6.262  -3.642
  652    HD1  PHE  89           1HD      PHE  89  20.115   8.304  -2.448
  653    HD2  PHE  89           2HD      PHE  89  15.972   7.423  -2.046
  654    HE1  PHE  89           1HE      PHE  89  20.068   9.521  -0.309
  655    HE2  PHE  89           2HE      PHE  89  15.921   8.631   0.098
  656    HZ   PHE  89           HZ       PHE  89  17.970   9.682   0.966
  657    H    GLY  90           H        GLY  90  18.814   5.531  -5.564
  658   1HA   GLY  90          1HA       GLY  90  18.445   5.944  -8.399
  659   2HA   GLY  90          2HA       GLY  90  18.897   4.441  -7.613
  660    H    ASP  91           H        ASP  91  16.058   6.400  -6.887
  661    HA   ASP  91           HA       ASP  91  14.379   4.098  -7.489
  662   1HB   ASP  91          2HB       ASP  91  12.599   5.605  -6.411
  663   2HB   ASP  91          1HB       ASP  91  13.870   4.980  -5.365
  664    H    GLU  92           H        GLU  92  12.740   6.991  -7.588
  665    HA   GLU  92           HA       GLU  92  13.088   7.813 -10.243
  666   1HB   GLU  92          2HB       GLU  92  10.497   7.127 -10.700
  667   2HB   GLU  92          1HB       GLU  92  11.872   6.216 -11.301
  668   1HG   GLU  92          2HG       GLU  92  11.002   4.442 -10.303
  669   2HG   GLU  92          1HG       GLU  92  11.432   5.189  -8.765
  670    H    ASP  93           H        ASP  93  10.259   7.360  -8.159
  671    HA   ASP  93           HA       ASP  93  10.348  10.187  -7.439
  672   1HB   ASP  93          2HB       ASP  93   8.767   9.875  -9.403
  673   2HB   ASP  93          1HB       ASP  93   7.754   8.921  -8.323
  674    H    GLU  94           H        GLU  94   9.076   6.968  -6.927
  675    HA   GLU  94           HA       GLU  94   8.580   5.797  -5.073
  676   1HB   GLU  94          2HB       GLU  94  10.283   6.457  -3.698
  677   2HB   GLU  94          1HB       GLU  94   9.849   8.163  -3.786
  678   1HG   GLU  94          2HG       GLU  94   7.758   7.410  -2.426
  679   2HG   GLU  94          1HG       GLU  94   8.758   6.010  -2.035
  680    H    ARG  95           H        ARG  95   6.544   5.397  -5.167
  681    HA   ARG  95           HA       ARG  95   4.564   7.491  -4.838
  682   1HB   ARG  95          2HB       ARG  95   4.753   5.285  -6.465
  683   2HB   ARG  95          1HB       ARG  95   3.639   4.730  -5.223
  684   1HG   ARG  95          2HG       ARG  95   2.374   6.918  -5.677
  685   2HG   ARG  95          1HG       ARG  95   3.325   6.986  -7.163
  686   1HD   ARG  95          2HD       ARG  95   2.452   4.877  -7.893
  687   2HD   ARG  95          1HD       ARG  95   1.652   4.615  -6.343
  688    HE   ARG  95           HE       ARG  95   0.252   6.593  -6.926
  689   1HH1  ARG  95          2HH1      ARG  95   1.703   4.581  -9.407
  690   2HH1  ARG  95          1HH1      ARG  95   0.635   5.142 -10.663
  691   1HH2  ARG  95          2HH2      ARG  95  -1.139   7.340  -8.564
  692   2HH2  ARG  95          1HH2      ARG  95  -1.013   6.682 -10.171
  693    H    LEU  96           H        LEU  96   2.611   5.384  -4.003
  694    HA   LEU  96           HA       LEU  96   3.394   4.527  -1.398
  695   1HB   LEU  96          2HB       LEU  96   1.169   5.703  -0.510
  696   2HB   LEU  96          1HB       LEU  96   2.750   6.444  -0.378
  697    HG   LEU  96           HG       LEU  96   2.275   7.739  -2.450
  698   1HD1  LEU  96          1HD1      LEU  96   0.427   5.932  -3.025
  699   2HD1  LEU  96          2HD1      LEU  96  -0.609   7.110  -2.214
  700   3HD1  LEU  96          3HD1      LEU  96   0.341   7.592  -3.622
  701   1HD2  LEU  96          1HD2      LEU  96   0.186   8.113  -0.310
  702   2HD2  LEU  96          2HD2      LEU  96   1.867   8.625  -0.160
  703   3HD2  LEU  96          3HD2      LEU  96   0.836   9.339  -1.399
  704    H    ILE  97           H        ILE  97   0.347   4.658  -0.816
  705    HA   ILE  97           HA       ILE  97  -0.654   2.886  -2.853
  706    HB   ILE  97           HB       ILE  97  -1.683   1.892  -0.384
  707   1HG1  ILE  97          2HG1      ILE  97   1.191   1.124  -0.560
  708   2HG1  ILE  97          1HG1      ILE  97   0.814   2.674   0.187
  709   1HG2  ILE  97          1HG2      ILE  97   0.030   0.105  -1.926
  710   2HG2  ILE  97          2HG2      ILE  97  -1.692  -0.006  -1.558
  711   3HG2  ILE  97          3HG2      ILE  97  -1.141   0.985  -2.909
  712   1HD1  ILE  97          1HD1      ILE  97   0.328  -0.065   1.145
  713   2HD1  ILE  97          2HD1      ILE  97   0.703   1.407   2.041
  714   3HD1  ILE  97          3HD1      ILE  97  -0.940   1.115   1.475
  715    H    THR  98           H        THR  98  -2.768   3.310  -3.239
  716    HA   THR  98           HA       THR  98  -3.784   5.635  -1.883
  717    HB   THR  98           HB       THR  98  -4.054   4.398  -4.503
  718    HG1  THR  98           1HG      THR  98  -3.920   6.450  -5.069
  719   1HG2  THR  98          1HG2      THR  98  -6.325   5.061  -4.966
  720   2HG2  THR  98          2HG2      THR  98  -6.535   5.589  -3.295
  721   3HG2  THR  98          3HG2      THR  98  -6.287   3.880  -3.656
  722    H    ARG  99           H        ARG  99  -5.199   5.550  -0.305
  723    HA   ARG  99           HA       ARG  99  -6.354   3.036   0.474
  724   1HB   ARG  99          2HB       ARG  99  -5.805   5.594   1.697
  725   2HB   ARG  99          1HB       ARG  99  -7.455   5.090   2.041
  726   1HG   ARG  99          2HG       ARG  99  -4.965   3.488   2.571
  727   2HG   ARG  99          1HG       ARG  99  -5.948   4.327   3.774
  728   1HD   ARG  99          2HD       ARG  99  -7.817   2.822   2.500
  729   2HD   ARG  99          1HD       ARG  99  -6.408   1.773   2.403
  730    HE   ARG  99           HE       ARG  99  -6.957   1.200   4.527
  731   1HH1  ARG  99          2HH1      ARG  99  -7.468   4.682   4.299
  732   2HH1  ARG  99          1HH1      ARG  99  -7.991   4.823   5.948
  733   1HH2  ARG  99          2HH2      ARG  99  -7.722   1.377   6.597
  734   2HH2  ARG  99          1HH2      ARG  99  -8.149   2.935   7.259
  735    H    LEU 100           H        LEU 100  -8.005   2.342  -0.713
  736    HA   LEU 100           HA       LEU 100 -10.209   4.214  -1.256
  737   1HB   LEU 100          2HB       LEU 100  -8.590   3.142  -3.159
  738   2HB   LEU 100          1HB       LEU 100  -9.871   1.939  -3.091
  739    HG   LEU 100           HG       LEU 100 -11.492   3.903  -3.383
  740   1HD1  LEU 100          1HD1      LEU 100  -9.042   5.322  -3.269
  741   2HD1  LEU 100          2HD1      LEU 100  -9.707   5.506  -4.892
  742   3HD1  LEU 100          3HD1      LEU 100 -10.675   5.954  -3.488
  743   1HD2  LEU 100          1HD2      LEU 100 -10.461   4.015  -5.931
  744   2HD2  LEU 100          2HD2      LEU 100  -9.837   2.488  -5.310
  745   3HD2  LEU 100          3HD2      LEU 100 -11.574   2.791  -5.315
  746    H    GLU 101           H        GLU 101 -12.081   2.620  -2.209
  747    HA   GLU 101           HA       GLU 101 -12.498   0.501  -0.212
  748   1HB   GLU 101          2HB       GLU 101 -15.004   1.612  -0.687
  749   2HB   GLU 101          1HB       GLU 101 -14.029   1.809   0.766
  750   1HG   GLU 101          2HG       GLU 101 -13.384   3.907   0.221
  751   2HG   GLU 101          1HG       GLU 101 -13.424   3.589  -1.510
  752    H    ASN 102           H        ASN 102 -13.767  -1.229  -0.887
  753    HA   ASN 102           HA       ASN 102 -13.957  -1.540  -3.767
  754   1HB   ASN 102          2HB       ASN 102 -13.144  -3.499  -2.797
  755   2HB   ASN 102          1HB       ASN 102 -14.243  -3.391  -1.422
  756   1HD2  ASN 102          1HD2      ASN 102 -15.741  -4.878  -1.426
  757   2HD2  ASN 102          2HD2      ASN 102 -16.486  -5.588  -2.827
  758    H    THR 103           H        THR 103 -16.122  -1.633  -0.961
  759    HA   THR 103           HA       THR 103 -18.449  -1.811  -2.636
  760    HB   THR 103           HB       THR 103 -18.931  -1.163   0.175
  761    HG1  THR 103           1HG      THR 103 -17.832  -3.700  -0.073
  762   1HG2  THR 103          1HG2      THR 103 -20.740  -2.275  -0.473
  763   2HG2  THR 103          2HG2      THR 103 -19.770  -3.745  -0.384
  764   3HG2  THR 103          3HG2      THR 103 -19.932  -2.884  -1.917
  765    H    GLN 104           H        GLN 104 -18.556   0.310   0.124
  766    HA   GLN 104           HA       GLN 104 -18.216   2.764  -1.222
  767   1HB   GLN 104          2HB       GLN 104 -20.747   3.388  -0.755
  768   2HB   GLN 104          1HB       GLN 104 -20.253   2.683  -2.286
  769   1HG   GLN 104          2HG       GLN 104 -21.010   0.510  -1.588
  770   2HG   GLN 104          1HG       GLN 104 -21.370   1.113   0.027
  771   1HE2  GLN 104          1HE2      GLN 104 -22.102   3.365  -2.386
  772   2HE2  GLN 104          2HE2      GLN 104 -23.812   3.060  -2.483
  773    H    PHE 105           H        PHE 105 -16.929   3.073   0.605
  774    HA   PHE 105           HA       PHE 105 -18.434   3.557   3.091
  775   1HB   PHE 105          2HB       PHE 105 -16.768   1.417   2.781
  776   2HB   PHE 105          1HB       PHE 105 -15.674   2.612   3.466
  777    HD1  PHE 105           1HD      PHE 105 -18.340   3.859   4.882
  778    HD2  PHE 105           2HD      PHE 105 -16.287   0.131   4.881
  779    HE1  PHE 105           1HE      PHE 105 -19.224   3.375   7.128
  780    HE2  PHE 105           2HE      PHE 105 -17.163  -0.359   7.128
  781    HZ   PHE 105           HZ       PHE 105 -18.636   1.265   8.254
  782    H    ASP 106           H        ASP 106 -18.318   5.733   2.110
  783    HA   ASP 106           HA       ASP 106 -15.857   7.090   3.003
  784   1HB   ASP 106          2HB       ASP 106 -16.361   7.061   0.447
  785   2HB   ASP 106          1HB       ASP 106 -17.613   8.225   0.847
  786    H    ALA 107           H        ALA 107 -19.185   7.647   2.048
  787    HA   ALA 107           HA       ALA 107 -20.910   8.812   2.956
  788   1HB   ALA 107          1HB       ALA 107 -20.074   7.570   5.088
  789   2HB   ALA 107          2HB       ALA 107 -19.494   9.169   5.559
  790   3HB   ALA 107          3HB       ALA 107 -21.211   8.911   5.237
  791    H    ALA 108           H        ALA 108 -18.659  10.003   1.615
  792    HA   ALA 108           HA       ALA 108 -17.922  12.039   0.943
  793   1HB   ALA 108          1HB       ALA 108 -19.396  13.795   1.009
  794   2HB   ALA 108          2HB       ALA 108 -20.472  12.422   1.275
  795   3HB   ALA 108          3HB       ALA 108 -19.945  13.406   2.639
  796    H    ASN 109           H        ASN 109 -17.032  10.843   3.521
  797    HA   ASN 109           HA       ASN 109 -16.084  13.287   4.861
  798   1HB   ASN 109          2HB       ASN 109 -17.431  11.232   6.005
  799   2HB   ASN 109          1HB       ASN 109 -15.769  10.707   6.264
  800   1HD2  ASN 109          1HD2      ASN 109 -17.842  11.631   8.146
  801   2HD2  ASN 109          2HD2      ASN 109 -17.110  12.947   9.018
  802    H    GLY 110           H        GLY 110 -15.101  10.913   2.775
  803   1HA   GLY 110          1HA       GLY 110 -12.301  11.132   3.705
  804   2HA   GLY 110          2HA       GLY 110 -12.929   9.752   2.811
  805    H    ILE 111           H        ILE 111 -13.742  10.193   0.620
  806    HA   ILE 111           HA       ILE 111 -12.322  12.435  -0.660
  807    HB   ILE 111           HB       ILE 111 -12.732   9.801  -2.045
  808   1HG1  ILE 111          2HG1      ILE 111  -9.991  10.159  -1.309
  809   2HG1  ILE 111          1HG1      ILE 111 -10.974  10.273   0.147
  810   1HG2  ILE 111          1HG2      ILE 111 -10.416  11.399  -2.750
  811   2HG2  ILE 111          2HG2      ILE 111 -11.714  10.774  -3.772
  812   3HG2  ILE 111          3HG2      ILE 111 -11.924  12.300  -2.913
  813   1HD1  ILE 111          1HD1      ILE 111 -10.339   8.011  -0.092
  814   2HD1  ILE 111          2HD1      ILE 111 -12.044   8.109  -0.536
  815   3HD1  ILE 111          3HD1      ILE 111 -10.813   7.990  -1.792
  816    H    ASP 112           H        ASP 112 -14.725   9.949  -1.362
  817    HA   ASP 112           HA       ASP 112 -16.830  11.797  -1.754
  818   1HB   ASP 112          2HB       ASP 112 -15.290  11.766  -3.964
  819   2HB   ASP 112          1HB       ASP 112 -16.326  10.389  -4.322
  820    H    ASP 113           H        ASP 113 -18.780  10.754  -1.656
  821    HA   ASP 113           HA       ASP 113 -18.716   8.035  -0.802
  822   1HB   ASP 113          2HB       ASP 113 -20.390  10.072  -0.277
  823   2HB   ASP 113          1HB       ASP 113 -21.317   9.259  -1.534
  824    H    GLU 114           H        GLU 114 -18.688   6.309  -2.036
  825    HA   GLU 114           HA       GLU 114 -19.415   6.508  -4.847
  826   1HB   GLU 114          2HB       GLU 114 -17.276   5.399  -3.929
  827   2HB   GLU 114          1HB       GLU 114 -18.324   4.067  -3.462
  828   1HG   GLU 114          2HG       GLU 114 -17.413   3.452  -5.525
  829   2HG   GLU 114          1HG       GLU 114 -19.056   3.976  -5.883
  Start of MODEL    4
    1   1H    GLY   1          1H        GLY   1 -23.060  -4.637 -11.459
    2   2H    GLY   1          2H        GLY   1 -23.062  -5.732 -10.166
    3   3H    GLY   1          3H        GLY   1 -22.347  -6.169 -11.639
    4   1HA   GLY   1          2HA       GLY   1 -20.677  -4.432 -11.353
    5   2HA   GLY   1          1HA       GLY   1 -21.402  -4.042  -9.801
    6    H    SER   2           H        SER   2 -18.687  -4.983 -10.434
    7    HA   SER   2           HA       SER   2 -18.713  -7.480  -8.877
    8   1HB   SER   2          2HB       SER   2 -16.268  -7.501 -10.082
    9   2HB   SER   2          1HB       SER   2 -17.695  -8.311 -10.723
   10    HG   SER   2           HG       SER   2 -17.611  -7.018 -12.356
   11    H    LEU   3           H        LEU   3 -16.950  -7.801  -7.414
   12    HA   LEU   3           HA       LEU   3 -16.094  -5.337  -6.144
   13   1HB   LEU   3          2HB       LEU   3 -15.863  -8.249  -5.435
   14   2HB   LEU   3          1HB       LEU   3 -14.965  -7.026  -4.558
   15    HG   LEU   3           HG       LEU   3 -17.800  -6.385  -4.759
   16   1HD1  LEU   3          1HD1      LEU   3 -17.640  -8.428  -2.773
   17   2HD1  LEU   3          2HD1      LEU   3 -18.752  -8.285  -4.136
   18   3HD1  LEU   3          3HD1      LEU   3 -17.203  -9.105  -4.343
   19   1HD2  LEU   3          1HD2      LEU   3 -17.370  -6.386  -2.195
   20   2HD2  LEU   3          2HD2      LEU   3 -15.677  -6.538  -2.662
   21   3HD2  LEU   3          3HD2      LEU   3 -16.620  -5.149  -3.204
   22    H    LEU   4           H        LEU   4 -13.633  -5.880  -5.169
   23    HA   LEU   4           HA       LEU   4 -12.018  -5.835  -7.606
   24   1HB   LEU   4          2HB       LEU   4 -10.961  -5.171  -4.888
   25   2HB   LEU   4          1HB       LEU   4 -10.447  -4.567  -6.457
   26    HG   LEU   4           HG       LEU   4 -13.181  -3.798  -5.872
   27   1HD1  LEU   4          1HD1      LEU   4 -11.686  -2.113  -4.162
   28   2HD1  LEU   4          2HD1      LEU   4 -13.048  -3.159  -3.757
   29   3HD1  LEU   4          3HD1      LEU   4 -11.400  -3.781  -3.662
   30   1HD2  LEU   4          1HD2      LEU   4 -11.047  -2.891  -7.347
   31   2HD2  LEU   4          2HD2      LEU   4 -12.548  -2.012  -7.054
   32   3HD2  LEU   4          3HD2      LEU   4 -11.141  -1.724  -6.027
   33    H    THR   5           H        THR   5  -9.794  -6.787  -7.425
   34    HA   THR   5           HA       THR   5  -9.711  -9.143  -5.677
   35    HB   THR   5           HB       THR   5  -8.500 -10.239  -7.774
   36    HG1  THR   5           1HG      THR   5 -10.340  -8.355  -8.890
   37   1HG2  THR   5          1HG2      THR   5 -10.438 -11.142  -6.536
   38   2HG2  THR   5          2HG2      THR   5 -10.559 -11.416  -8.275
   39   3HG2  THR   5          3HG2      THR   5 -11.506 -10.136  -7.516
   40    H    CYS   6           H        CYS   6  -7.820  -9.348  -4.662
   41    HA   CYS   6           HA       CYS   6  -5.749  -7.443  -5.129
   42   1HB   CYS   6          2HB       CYS   6  -5.527  -7.815  -2.936
   43   2HB   CYS   6          1HB       CYS   6  -6.557  -9.237  -3.029
   44    H    GLY   7           H        GLY   7  -3.631  -7.840  -5.762
   45   1HA   GLY   7          1HA       GLY   7  -3.418  -9.667  -7.919
   46   2HA   GLY   7          2HA       GLY   7  -2.140  -8.628  -7.315
   47    H    GLY   8           H        GLY   8  -2.705  -9.994  -4.587
   48   1HA   GLY   8          1HA       GLY   8  -0.755 -12.122  -5.046
   49   2HA   GLY   8          2HA       GLY   8  -1.223 -11.462  -3.487
   50    H    CYS   9           H        CYS   9  -4.003 -11.689  -3.720
   51    HA   CYS   9           HA       CYS   9  -4.248 -14.561  -3.292
   52   1HB   CYS   9          2HB       CYS   9  -6.234 -12.340  -2.792
   53   2HB   CYS   9          1HB       CYS   9  -6.402 -14.012  -2.273
   54    H    GLN  10           H        GLN  10  -6.067 -12.025  -4.946
   55    HA   GLN  10           HA       GLN  10  -7.526 -12.021  -6.683
   56   1HB   GLN  10          2HB       GLN  10  -5.684 -13.981  -7.471
   57   2HB   GLN  10          1HB       GLN  10  -7.267 -14.719  -7.685
   58   1HG   GLN  10          2HG       GLN  10  -7.460 -13.639  -9.604
   59   2HG   GLN  10          1HG       GLN  10  -7.487 -12.122  -8.705
   60   1HE2  GLN  10          1HE2      GLN  10  -5.003 -11.769  -7.841
   61   2HE2  GLN  10          2HE2      GLN  10  -3.871 -11.716  -9.155
   62    H    GLN  11           H        GLN  11  -7.792 -13.431  -3.958
   63    HA   GLN  11           HA       GLN  11 -10.029 -15.217  -4.363
   64   1HB   GLN  11          2HB       GLN  11  -9.963 -15.547  -1.978
   65   2HB   GLN  11          1HB       GLN  11  -8.315 -15.588  -2.584
   66   1HG   GLN  11          2HG       GLN  11  -7.922 -13.345  -1.798
   67   2HG   GLN  11          1HG       GLN  11  -9.605 -13.189  -1.303
   68   1HE2  GLN  11          1HE2      GLN  11  -6.672 -13.501  -0.083
   69   2HE2  GLN  11          2HE2      GLN  11  -7.008 -14.430   1.342
   70    H    ASN  12           H        ASN  12  -9.923 -12.152  -4.832
   71    HA   ASN  12           HA       ASN  12 -11.457 -10.487  -4.942
   72   1HB   ASN  12          2HB       ASN  12 -13.203 -12.163  -5.227
   73   2HB   ASN  12          1HB       ASN  12 -13.272 -12.418  -3.489
   74   1HD2  ASN  12          1HD2      ASN  12 -14.385 -11.012  -2.212
   75   2HD2  ASN  12          2HD2      ASN  12 -15.340  -9.709  -2.846
   76    H    ILE  13           H        ILE  13 -11.477  -8.668  -3.809
   77    HA   ILE  13           HA       ILE  13 -10.713  -8.765  -1.005
   78    HB   ILE  13           HB       ILE  13 -11.198  -6.307  -2.666
   79   1HG1  ILE  13          2HG1      ILE  13  -8.457  -7.403  -2.224
   80   2HG1  ILE  13          1HG1      ILE  13  -9.450  -8.112  -3.490
   81   1HG2  ILE  13          1HG2      ILE  13 -10.819  -5.298  -0.721
   82   2HG2  ILE  13          2HG2      ILE  13 -10.346  -6.814   0.044
   83   3HG2  ILE  13          3HG2      ILE  13  -9.155  -5.866  -0.844
   84   1HD1  ILE  13          1HD1      ILE  13  -9.335  -6.271  -4.807
   85   2HD1  ILE  13          2HD1      ILE  13  -9.221  -5.165  -3.434
   86   3HD1  ILE  13          3HD1      ILE  13  -7.806  -6.092  -3.937
   87    H    GLY  14           H        GLY  14 -12.285  -9.039   0.425
   88   1HA   GLY  14          1HA       GLY  14 -14.887  -7.723  -0.075
   89   2HA   GLY  14          2HA       GLY  14 -14.678  -9.208   0.849
   90    H    ASP  15           H        ASP  15 -12.258  -6.950   1.411
   91    HA   ASP  15           HA       ASP  15 -12.981  -6.623   4.140
   92   1HB   ASP  15          2HB       ASP  15 -10.842  -5.312   2.451
   93   2HB   ASP  15          1HB       ASP  15 -11.037  -5.002   4.173
   94    H    ARG  16           H        ARG  16 -12.556  -4.122   4.934
   95    HA   ARG  16           HA       ARG  16 -14.808  -2.658   3.757
   96   1HB   ARG  16          2HB       ARG  16 -14.227  -1.155   5.875
   97   2HB   ARG  16          1HB       ARG  16 -15.224  -2.597   5.999
   98   1HG   ARG  16          2HG       ARG  16 -13.820  -3.462   7.466
   99   2HG   ARG  16          1HG       ARG  16 -12.505  -3.369   6.293
  100   1HD   ARG  16          2HD       ARG  16 -12.955  -0.753   7.274
  101   2HD   ARG  16          1HD       ARG  16 -12.905  -1.835   8.666
  102    HE   ARG  16           HE       ARG  16 -10.764  -1.809   6.639
  103   1HH1  ARG  16          2HH1      ARG  16 -11.810  -1.755   9.987
  104   2HH1  ARG  16          1HH1      ARG  16 -10.187  -1.754  10.612
  105   1HH2  ARG  16          2HH2      ARG  16  -8.642  -1.812   7.467
  106   2HH2  ARG  16          1HH2      ARG  16  -8.401  -1.760   9.197
  107    H    TYR  17           H        TYR  17 -11.378  -2.512   4.268
  108    HA   TYR  17           HA       TYR  17 -11.247  -0.134   2.540
  109   1HB   TYR  17          2HB       TYR  17 -10.695   0.006   5.246
  110   2HB   TYR  17          1HB       TYR  17  -9.110  -0.319   4.564
  111    HD1  TYR  17           1HD      TYR  17  -7.814   1.545   4.218
  112    HD2  TYR  17           2HD      TYR  17 -12.030   1.881   3.752
  113    HE1  TYR  17           1HE      TYR  17  -7.564   3.937   3.712
  114    HE2  TYR  17           2HE      TYR  17 -11.787   4.271   3.231
  115    HH   TYR  17           HH       TYR  17 -10.138   6.100   3.718
  116    H    PHE  18           H        PHE  18  -9.074  -0.053   1.405
  117    HA   PHE  18           HA       PHE  18  -7.448  -2.412   1.594
  118   1HB   PHE  18          2HB       PHE  18  -7.898  -3.437  -0.466
  119   2HB   PHE  18          1HB       PHE  18  -9.482  -3.087   0.204
  120    HD1  PHE  18           1HD      PHE  18  -7.762  -3.181  -2.714
  121    HD2  PHE  18           2HD      PHE  18 -10.234  -0.508  -0.510
  122    HE1  PHE  18           1HE      PHE  18  -8.375  -2.031  -4.800
  123    HE2  PHE  18           2HE      PHE  18 -10.855   0.639  -2.590
  124    HZ   PHE  18           HZ       PHE  18  -9.926  -0.120  -4.737
  125    H    LEU  19           H        LEU  19  -5.924  -2.472  -0.406
  126    HA   LEU  19           HA       LEU  19  -4.941   0.266  -0.834
  127   1HB   LEU  19          2HB       LEU  19  -3.555  -2.294  -0.161
  128   2HB   LEU  19          1HB       LEU  19  -2.709  -1.094  -1.113
  129    HG   LEU  19           HG       LEU  19  -3.970  -0.213   1.434
  130   1HD1  LEU  19          1HD1      LEU  19  -1.964  -2.301   1.241
  131   2HD1  LEU  19          2HD1      LEU  19  -1.403  -0.905   2.163
  132   3HD1  LEU  19          3HD1      LEU  19  -2.885  -1.737   2.635
  133   1HD2  LEU  19          1HD2      LEU  19  -2.725   1.222  -0.305
  134   2HD2  LEU  19          2HD2      LEU  19  -2.306   1.420   1.399
  135   3HD2  LEU  19          3HD2      LEU  19  -1.262   0.471   0.338
  136    H    LYS  20           H        LYS  20  -4.405   0.819  -2.906
  137    HA   LYS  20           HA       LYS  20  -3.876  -1.131  -4.905
  138   1HB   LYS  20          2HB       LYS  20  -5.936  -1.490  -5.711
  139   2HB   LYS  20          1HB       LYS  20  -6.632  -0.335  -4.589
  140   1HG   LYS  20          2HG       LYS  20  -5.309   0.871  -6.913
  141   2HG   LYS  20          1HG       LYS  20  -6.705  -0.123  -7.296
  142   1HD   LYS  20          2HD       LYS  20  -6.996   1.787  -5.056
  143   2HD   LYS  20          1HD       LYS  20  -6.909   2.463  -6.685
  144   1HE   LYS  20          2HE       LYS  20  -8.696   0.143  -6.337
  145   2HE   LYS  20          1HE       LYS  20  -9.195   1.627  -5.527
  146   1HZ   LYS  20          1HZ       LYS  20  -9.455   2.730  -7.500
  147   2HZ   LYS  20          2HZ       LYS  20  -9.920   1.165  -7.961
  148   3HZ   LYS  20          3HZ       LYS  20  -8.370   1.737  -8.349
  149    H    ALA  21           H        ALA  21  -2.936  -0.157  -6.749
  150    HA   ALA  21           HA       ALA  21  -3.229   2.368  -7.690
  151   1HB   ALA  21          1HB       ALA  21  -2.051   2.680  -5.204
  152   2HB   ALA  21          2HB       ALA  21  -0.710   2.850  -6.340
  153   3HB   ALA  21          3HB       ALA  21  -2.131   3.886  -6.490
  154    H    ILE  22           H        ILE  22  -0.626   0.169  -6.765
  155    HA   ILE  22           HA       ILE  22   1.361   0.695  -8.454
  156    HB   ILE  22           HB       ILE  22   0.480  -2.169  -8.280
  157   1HG1  ILE  22          2HG1      ILE  22   1.399  -0.369  -6.067
  158   2HG1  ILE  22          1HG1      ILE  22   0.128  -1.580  -6.054
  159   1HG2  ILE  22          1HG2      ILE  22   2.551  -2.622  -8.926
  160   2HG2  ILE  22          2HG2      ILE  22   2.746  -0.898  -9.256
  161   3HG2  ILE  22          3HG2      ILE  22   3.245  -1.560  -7.698
  162   1HD1  ILE  22          1HD1      ILE  22   1.981  -3.302  -6.272
  163   2HD1  ILE  22          2HD1      ILE  22   3.091  -1.987  -5.872
  164   3HD1  ILE  22          3HD1      ILE  22   1.833  -2.462  -4.727
  165    H    ASP  23           H        ASP  23  -1.356  -1.363  -9.369
  166    HA   ASP  23           HA       ASP  23  -1.576  -0.418 -11.991
  167   1HB   ASP  23          2HB       ASP  23   0.636  -1.855 -11.987
  168   2HB   ASP  23          1HB       ASP  23  -0.485  -3.211 -12.023
  169    H    GLN  24           H        GLN  24  -2.225  -2.527  -9.461
  170    HA   GLN  24           HA       GLN  24  -4.836  -3.193 -10.551
  171   1HB   GLN  24          2HB       GLN  24  -4.562  -5.550  -9.718
  172   2HB   GLN  24          1HB       GLN  24  -3.571  -5.153 -11.115
  173   1HG   GLN  24          2HG       GLN  24  -2.332  -4.768  -8.463
  174   2HG   GLN  24          1HG       GLN  24  -2.636  -6.429  -8.969
  175   1HE2  GLN  24          1HE2      GLN  24  -0.265  -4.341  -8.786
  176   2HE2  GLN  24          2HE2      GLN  24   0.646  -4.705 -10.220
  177    H    TYR  25           H        TYR  25  -5.827  -4.707  -8.565
  178    HA   TYR  25           HA       TYR  25  -5.756  -2.859  -6.296
  179   1HB   TYR  25          2HB       TYR  25  -7.678  -5.156  -6.618
  180   2HB   TYR  25          1HB       TYR  25  -7.873  -3.684  -5.667
  181    HD1  TYR  25           1HD      TYR  25  -9.454  -5.157  -8.104
  182    HD2  TYR  25           2HD      TYR  25  -7.157  -1.615  -7.618
  183    HE1  TYR  25           1HE      TYR  25 -10.656  -4.118  -9.993
  184    HE2  TYR  25           2HE      TYR  25  -8.347  -0.564  -9.493
  185    HH   TYR  25           HH       TYR  25 -10.996  -2.238 -11.165
  186    H    TRP  26           H        TRP  26  -5.597  -3.642  -4.141
  187    HA   TRP  26           HA       TRP  26  -4.348  -6.285  -3.890
  188   1HB   TRP  26          2HB       TRP  26  -3.330  -3.737  -2.616
  189   2HB   TRP  26          1HB       TRP  26  -2.653  -5.344  -2.391
  190    HD1  TRP  26           HD       TRP  26  -2.668  -2.413  -4.794
  191    HE1  TRP  26           1HE      TRP  26  -0.884  -2.817  -6.605
  192    HE3  TRP  26           3HE      TRP  26  -1.515  -7.270  -3.704
  193    HZ2  TRP  26           2HZ      TRP  26   0.782  -4.947  -7.469
  194    HZ3  TRP  26           3HZ      TRP  26   0.173  -8.423  -5.071
  195    HH2  TRP  26           HH       TRP  26   1.300  -7.281  -6.914
  196    H    HIS  27           H        HIS  27  -3.720  -6.108  -1.241
  197    HA   HIS  27           HA       HIS  27  -6.344  -5.861   0.081
  198   1HB   HIS  27          2HB       HIS  27  -4.324  -8.016   0.110
  199   2HB   HIS  27          1HB       HIS  27  -4.942  -7.563   1.691
  200    HD2  HIS  27           2HD      HIS  27  -8.054  -7.324   1.208
  201    HE1  HIS  27           1HE      HIS  27  -7.730 -11.134  -0.619
  202    HE2  HIS  27           2HE      HIS  27  -9.266  -9.552   0.654
  203    H    GLU  28           H        GLU  28  -6.270  -5.226   2.312
  204    HA   GLU  28           HA       GLU  28  -4.472  -3.147   2.957
  205   1HB   GLU  28          2HB       GLU  28  -6.709  -4.564   4.207
  206   2HB   GLU  28          1HB       GLU  28  -5.495  -4.048   5.362
  207   1HG   GLU  28          2HG       GLU  28  -5.705  -1.759   4.139
  208   2HG   GLU  28          1HG       GLU  28  -7.256  -2.411   3.609
  209    H    ASP  29           H        ASP  29  -4.539  -6.582   3.637
  210    HA   ASP  29           HA       ASP  29  -2.129  -6.364   5.293
  211   1HB   ASP  29          2HB       ASP  29  -4.273  -7.649   5.983
  212   2HB   ASP  29          1HB       ASP  29  -3.719  -8.882   4.860
  213    H    CYS  30           H        CYS  30  -2.732  -6.683   2.153
  214    HA   CYS  30           HA       CYS  30  -0.713  -8.756   1.715
  215   1HB   CYS  30          2HB       CYS  30  -2.995  -7.755   0.090
  216   2HB   CYS  30          1HB       CYS  30  -1.587  -8.401  -0.751
  217    H    LEU  31           H        LEU  31  -1.577  -5.504   0.556
  218    HA   LEU  31           HA       LEU  31   0.961  -5.124  -0.715
  219   1HB   LEU  31          2HB       LEU  31  -1.478  -3.770  -0.682
  220   2HB   LEU  31          1HB       LEU  31  -0.352  -2.664   0.082
  221    HG   LEU  31           HG       LEU  31  -0.269  -3.778  -2.710
  222   1HD1  LEU  31          1HD1      LEU  31  -0.158  -1.433  -3.317
  223   2HD1  LEU  31          2HD1      LEU  31  -1.566  -1.745  -2.304
  224   3HD1  LEU  31          3HD1      LEU  31  -0.137  -0.975  -1.614
  225   1HD2  LEU  31          1HD2      LEU  31   1.941  -3.556  -2.886
  226   2HD2  LEU  31          2HD2      LEU  31   1.937  -2.022  -2.017
  227   3HD2  LEU  31          3HD2      LEU  31   1.981  -3.543  -1.124
  228    H    SER  32           H        SER  32   2.649  -5.420   0.627
  229    HA   SER  32           HA       SER  32   2.924  -3.517   2.837
  230   1HB   SER  32          2HB       SER  32   4.018  -6.070   3.614
  231   2HB   SER  32          1HB       SER  32   2.825  -5.076   4.448
  232    HG   SER  32           HG       SER  32   1.784  -6.341   2.267
  233    H    CYS  33           H        CYS  33   5.282  -4.234   3.862
  234    HA   CYS  33           HA       CYS  33   7.166  -3.709   1.778
  235   1HB   CYS  33          2HB       CYS  33   8.397  -2.982   3.501
  236   2HB   CYS  33          1HB       CYS  33   7.034  -3.347   4.539
  237    H    ASP  34           H        ASP  34   7.530  -5.263   0.388
  238    HA   ASP  34           HA       ASP  34   6.876  -7.940   0.930
  239   1HB   ASP  34          2HB       ASP  34   7.073  -6.447  -1.319
  240   2HB   ASP  34          1HB       ASP  34   8.520  -7.436  -1.464
  241    H    LEU  35           H        LEU  35   9.918  -6.282   0.884
  242    HA   LEU  35           HA       LEU  35  11.598  -8.505   0.532
  243   1HB   LEU  35          2HB       LEU  35  12.447  -6.303   0.183
  244   2HB   LEU  35          1HB       LEU  35  12.063  -5.827   1.823
  245    HG   LEU  35           HG       LEU  35  13.760  -7.635   2.532
  246   1HD1  LEU  35          1HD1      LEU  35  15.602  -7.719   0.695
  247   2HD1  LEU  35          2HD1      LEU  35  14.248  -8.848   0.635
  248   3HD1  LEU  35          3HD1      LEU  35  14.255  -7.425  -0.405
  249   1HD2  LEU  35          1HD2      LEU  35  15.263  -5.976   2.840
  250   2HD2  LEU  35          2HD2      LEU  35  15.202  -5.459   1.155
  251   3HD2  LEU  35          3HD2      LEU  35  13.929  -4.971   2.272
  252    H    CYS  36           H        CYS  36  10.407  -6.966   3.481
  253    HA   CYS  36           HA       CYS  36  11.616  -9.127   5.036
  254   1HB   CYS  36          2HB       CYS  36  10.604  -6.712   6.408
  255   2HB   CYS  36          1HB       CYS  36  12.076  -7.640   6.686
  256    H    GLY  37           H        GLY  37   8.686  -7.122   4.867
  257   1HA   GLY  37          1HA       GLY  37   6.613  -8.477   4.721
  258   2HA   GLY  37          2HA       GLY  37   7.248  -9.412   6.067
  259    H    CYS  38           H        CYS  38   7.418  -5.881   5.859
  260    HA   CYS  38           HA       CYS  38   5.819  -5.749   8.294
  261   1HB   CYS  38          2HB       CYS  38   7.071  -3.376   6.948
  262   2HB   CYS  38          1HB       CYS  38   6.751  -3.640   8.657
  263    HG   CYS  38           HG       CYS  38   9.279  -4.879   6.755
  264    H    ARG  39           H        ARG  39   5.648  -2.902   6.457
  265    HA   ARG  39           HA       ARG  39   3.571  -3.393   4.682
  266   1HB   ARG  39          2HB       ARG  39   2.461  -3.790   7.042
  267   2HB   ARG  39          1HB       ARG  39   2.413  -2.034   7.090
  268   1HG   ARG  39          2HG       ARG  39   0.458  -2.213   6.040
  269   2HG   ARG  39          1HG       ARG  39   1.398  -2.607   4.601
  270   1HD   ARG  39          2HD       ARG  39  -0.485  -4.192   5.203
  271   2HD   ARG  39          1HD       ARG  39   1.094  -4.915   4.903
  272    HE   ARG  39           HE       ARG  39   1.330  -5.304   7.233
  273   1HH1  ARG  39          2HH1      ARG  39  -1.825  -4.111   6.289
  274   2HH1  ARG  39          1HH1      ARG  39  -2.580  -4.541   7.792
  275   1HH2  ARG  39          2HH2      ARG  39   0.333  -5.906   9.197
  276   2HH2  ARG  39          1HH2      ARG  39  -1.356  -5.578   9.446
  277    H    LEU  40           H        LEU  40   2.428  -1.293   4.078
  278    HA   LEU  40           HA       LEU  40   3.977   1.093   4.759
  279   1HB   LEU  40          2HB       LEU  40   3.172   1.027   1.949
  280   2HB   LEU  40          1HB       LEU  40   4.687   1.535   2.665
  281    HG   LEU  40           HG       LEU  40   4.281  -1.375   2.655
  282   1HD1  LEU  40          1HD1      LEU  40   4.924  -1.499   0.220
  283   2HD1  LEU  40          2HD1      LEU  40   3.255  -1.041   0.554
  284   3HD1  LEU  40          3HD1      LEU  40   4.430   0.190   0.092
  285   1HD2  LEU  40          1HD2      LEU  40   6.390   0.470   2.817
  286   2HD2  LEU  40          2HD2      LEU  40   6.485  -1.291   2.839
  287   3HD2  LEU  40          3HD2      LEU  40   6.623  -0.419   1.311
  288    H    GLY  41           H        GLY  41   2.744   3.021   4.629
  289   1HA   GLY  41          1HA       GLY  41  -0.117   2.633   4.016
  290   2HA   GLY  41          2HA       GLY  41   0.364   3.196   5.612
  291    H    GLU  42           H        GLU  42   2.541   4.524   3.542
  292    HA   GLU  42           HA       GLU  42   1.180   7.081   3.650
  293   1HB   GLU  42          2HB       GLU  42   3.856   6.674   2.364
  294   2HB   GLU  42          1HB       GLU  42   3.247   8.075   3.232
  295   1HG   GLU  42          2HG       GLU  42   4.644   7.302   4.820
  296   2HG   GLU  42          1HG       GLU  42   3.239   6.321   5.238
  297    H    VAL  43           H        VAL  43   1.500   8.528   1.614
  298    HA   VAL  43           HA       VAL  43   0.746   6.990  -0.790
  299    HB   VAL  43           HB       VAL  43  -0.655   9.473   0.231
  300   1HG1  VAL  43          1HG1      VAL  43  -2.239   8.254  -1.689
  301   2HG1  VAL  43          2HG1      VAL  43  -1.292   9.729  -1.886
  302   3HG1  VAL  43          3HG1      VAL  43  -0.608   8.170  -2.354
  303   1HG2  VAL  43          1HG2      VAL  43  -2.586   8.021   0.618
  304   2HG2  VAL  43          2HG2      VAL  43  -1.630   6.619   0.137
  305   3HG2  VAL  43          3HG2      VAL  43  -1.201   7.522   1.590
  306    H    GLY  44           H        GLY  44   1.514   7.795  -2.746
  307   1HA   GLY  44          1HA       GLY  44   2.056  10.526  -3.119
  308   2HA   GLY  44          2HA       GLY  44   3.576   9.717  -2.805
  309    H    ARG  45           H        ARG  45   1.572   7.558  -4.443
  310    HA   ARG  45           HA       ARG  45   1.426   8.482  -7.034
  311   1HB   ARG  45          2HB       ARG  45   4.032   8.379  -6.628
  312   2HB   ARG  45          1HB       ARG  45   3.803   6.671  -6.961
  313   1HG   ARG  45          2HG       ARG  45   3.036   7.089  -9.146
  314   2HG   ARG  45          1HG       ARG  45   2.813   8.809  -8.821
  315   1HD   ARG  45          2HD       ARG  45   5.347   7.274  -9.253
  316   2HD   ARG  45          1HD       ARG  45   4.789   8.749 -10.046
  317    HE   ARG  45           HE       ARG  45   5.088   9.514  -7.462
  318   1HH1  ARG  45          2HH1      ARG  45   7.239   7.999  -9.788
  319   2HH1  ARG  45          1HH1      ARG  45   8.680   8.605  -9.028
  320   1HH2  ARG  45          2HH2      ARG  45   6.988  10.324  -6.487
  321   2HH2  ARG  45          1HH2      ARG  45   8.545   9.904  -7.152
  322    H    ARG  46           H        ARG  46   2.970   5.362  -6.316
  323    HA   ARG  46           HA       ARG  46   0.472   3.993  -6.074
  324   1HB   ARG  46          2HB       ARG  46   0.598   2.732  -8.168
  325   2HB   ARG  46          1HB       ARG  46   0.464   4.460  -8.461
  326   1HG   ARG  46          2HG       ARG  46   2.806   4.618  -8.989
  327   2HG   ARG  46          1HG       ARG  46   3.057   2.930  -8.539
  328   1HD   ARG  46          2HD       ARG  46   2.949   3.028 -10.916
  329   2HD   ARG  46          1HD       ARG  46   1.450   2.292 -10.348
  330    HE   ARG  46           HE       ARG  46   1.595   5.155 -11.057
  331   1HH1  ARG  46          2HH1      ARG  46   0.194   1.972 -11.482
  332   2HH1  ARG  46          1HH1      ARG  46  -1.177   2.550 -12.383
  333   1HH2  ARG  46          2HH2      ARG  46  -0.184   5.919 -12.262
  334   2HH2  ARG  46          1HH2      ARG  46  -1.369   4.798 -12.866
  335    H    LEU  47           H        LEU  47   3.738   4.105  -5.663
  336    HA   LEU  47           HA       LEU  47   4.195   2.385  -3.817
  337   1HB   LEU  47          2HB       LEU  47   3.214   0.531  -5.305
  338   2HB   LEU  47          1HB       LEU  47   4.716   0.621  -6.208
  339    HG   LEU  47           HG       LEU  47   5.857   0.260  -3.899
  340   1HD1  LEU  47          1HD1      LEU  47   3.617  -1.377  -3.061
  341   2HD1  LEU  47          2HD1      LEU  47   4.631  -0.276  -2.131
  342   3HD1  LEU  47          3HD1      LEU  47   3.251   0.348  -3.035
  343   1HD2  LEU  47          1HD2      LEU  47   4.677  -2.292  -4.420
  344   2HD2  LEU  47          2HD2      LEU  47   5.008  -1.466  -5.943
  345   3HD2  LEU  47          3HD2      LEU  47   6.308  -1.721  -4.780
  346    H    TYR  48           H        TYR  48   6.435   2.277  -3.285
  347    HA   TYR  48           HA       TYR  48   8.151   3.248  -5.449
  348   1HB   TYR  48          2HB       TYR  48   9.835   3.787  -3.585
  349   2HB   TYR  48          1HB       TYR  48   8.474   4.869  -3.819
  350    HD1  TYR  48           1HD      TYR  48   7.989   1.674  -2.129
  351    HD2  TYR  48           2HD      TYR  48   8.778   5.814  -1.604
  352    HE1  TYR  48           1HE      TYR  48   7.505   1.451   0.280
  353    HE2  TYR  48           2HE      TYR  48   8.305   5.609   0.801
  354    HH   TYR  48           HH       TYR  48   6.897   4.005   2.283
  355    H    TYR  49           H        TYR  49   8.509   1.309  -6.419
  356    HA   TYR  49           HA       TYR  49   9.822  -0.741  -4.774
  357   1HB   TYR  49          2HB       TYR  49   9.156  -2.331  -6.607
  358   2HB   TYR  49          1HB       TYR  49   7.822  -1.639  -5.691
  359    HD1  TYR  49           1HD      TYR  49   6.094  -0.476  -6.785
  360    HD2  TYR  49           2HD      TYR  49   9.662  -1.391  -8.892
  361    HE1  TYR  49           1HE      TYR  49   5.021   0.227  -8.891
  362    HE2  TYR  49           2HE      TYR  49   8.614  -0.690 -11.002
  363    HH   TYR  49           HH       TYR  49   6.404  -0.438 -11.959
  364    H    LYS  50           H        LYS  50  11.320  -2.189  -6.147
  365    HA   LYS  50           HA       LYS  50  13.360  -0.466  -7.247
  366   1HB   LYS  50          2HB       LYS  50  13.670  -2.599  -5.795
  367   2HB   LYS  50          1HB       LYS  50  13.445  -3.468  -7.302
  368   1HG   LYS  50          2HG       LYS  50  15.604  -3.217  -7.709
  369   2HG   LYS  50          1HG       LYS  50  15.340  -1.479  -7.844
  370   1HD   LYS  50          2HD       LYS  50  15.441  -1.698  -5.178
  371   2HD   LYS  50          1HD       LYS  50  16.464  -3.066  -5.614
  372   1HE   LYS  50          2HE       LYS  50  17.204  -0.876  -7.251
  373   2HE   LYS  50          1HE       LYS  50  17.113  -0.297  -5.589
  374   1HZ   LYS  50          1HZ       LYS  50  18.868  -2.349  -6.750
  375   2HZ   LYS  50          2HZ       LYS  50  18.468  -2.443  -5.104
  376   3HZ   LYS  50          3HZ       LYS  50  19.256  -1.067  -5.710
  377    H    LEU  51           H        LEU  51  14.348  -0.894  -9.318
  378    HA   LEU  51           HA       LEU  51  13.002  -0.269 -11.434
  379   1HB   LEU  51          2HB       LEU  51  14.702  -0.994 -12.819
  380   2HB   LEU  51          1HB       LEU  51  15.473  -0.857 -11.253
  381    HG   LEU  51           HG       LEU  51  14.446  -3.491 -12.278
  382   1HD1  LEU  51          1HD1      LEU  51  16.262  -3.862 -13.549
  383   2HD1  LEU  51          2HD1      LEU  51  16.290  -2.101 -13.663
  384   3HD1  LEU  51          3HD1      LEU  51  17.323  -2.924 -12.496
  385   1HD2  LEU  51          1HD2      LEU  51  16.223  -2.563 -10.071
  386   2HD2  LEU  51          2HD2      LEU  51  14.904  -3.736 -10.041
  387   3HD2  LEU  51          3HD2      LEU  51  16.454  -4.170 -10.766
  388    H    GLY  52           H        GLY  52  13.157  -3.728 -10.557
  389   1HA   GLY  52          1HA       GLY  52  10.781  -4.114 -12.248
  390   2HA   GLY  52          2HA       GLY  52  12.175  -5.157 -12.459
  391    H    ARG  53           H        ARG  53  11.435  -4.144  -9.225
  392    HA   ARG  53           HA       ARG  53   9.720  -6.411  -8.748
  393   1HB   ARG  53          2HB       ARG  53  11.106  -7.482  -7.063
  394   2HB   ARG  53          1HB       ARG  53  11.915  -7.479  -8.620
  395   1HG   ARG  53          2HG       ARG  53  13.430  -5.801  -7.936
  396   2HG   ARG  53          1HG       ARG  53  12.489  -5.446  -6.486
  397   1HD   ARG  53          2HD       ARG  53  13.327  -7.206  -5.347
  398   2HD   ARG  53          1HD       ARG  53  13.389  -8.236  -6.778
  399    HE   ARG  53           HE       ARG  53  15.432  -6.308  -5.923
  400   1HH1  ARG  53          2HH1      ARG  53  14.391  -8.893  -8.051
  401   2HH1  ARG  53          1HH1      ARG  53  15.975  -9.152  -8.720
  402   1HH2  ARG  53          2HH2      ARG  53  17.524  -6.662  -6.787
  403   2HH2  ARG  53          1HH2      ARG  53  17.763  -7.900  -7.987
  404    H    LYS  54           H        LYS  54   8.335  -6.059  -7.172
  405    HA   LYS  54           HA       LYS  54   8.317  -3.500  -5.882
  406   1HB   LYS  54          2HB       LYS  54   6.226  -4.362  -4.799
  407   2HB   LYS  54          1HB       LYS  54   6.211  -4.424  -6.554
  408   1HG   LYS  54          2HG       LYS  54   7.047  -6.874  -6.169
  409   2HG   LYS  54          1HG       LYS  54   6.314  -6.647  -4.582
  410   1HD   LYS  54          2HD       LYS  54   4.246  -5.839  -5.866
  411   2HD   LYS  54          1HD       LYS  54   5.009  -6.561  -7.283
  412   1HE   LYS  54          2HE       LYS  54   4.495  -8.060  -4.719
  413   2HE   LYS  54          1HE       LYS  54   3.370  -8.040  -6.081
  414   1HZ   LYS  54          1HZ       LYS  54   6.076  -9.222  -5.936
  415   2HZ   LYS  54          2HZ       LYS  54   5.373  -8.843  -7.432
  416   3HZ   LYS  54          3HZ       LYS  54   4.618  -9.957  -6.401
  417    H    LEU  55           H        LEU  55   9.154  -2.986  -3.973
  418    HA   LEU  55           HA       LEU  55   9.271  -4.840  -1.794
  419   1HB   LEU  55          2HB       LEU  55  11.454  -5.355  -1.724
  420   2HB   LEU  55          1HB       LEU  55  11.423  -4.976  -3.434
  421    HG   LEU  55           HG       LEU  55  11.934  -2.636  -1.766
  422   1HD1  LEU  55          1HD1      LEU  55  13.117  -3.945  -0.274
  423   2HD1  LEU  55          2HD1      LEU  55  13.639  -5.077  -1.520
  424   3HD1  LEU  55          3HD1      LEU  55  14.360  -3.468  -1.432
  425   1HD2  LEU  55          1HD2      LEU  55  13.669  -2.270  -3.393
  426   2HD2  LEU  55          2HD2      LEU  55  13.505  -3.922  -3.990
  427   3HD2  LEU  55          3HD2      LEU  55  12.192  -2.766  -4.219
  428    H    CYS  56           H        CYS  56  10.533  -3.648   0.101
  429    HA   CYS  56           HA       CYS  56   9.138  -1.228   0.579
  430   1HB   CYS  56          2HB       CYS  56  11.189  -1.404   2.441
  431   2HB   CYS  56          1HB       CYS  56   9.565  -2.082   2.614
  432    H    ARG  57           H        ARG  57  10.277   0.802   1.270
  433    HA   ARG  57           HA       ARG  57  12.558   1.304  -0.517
  434   1HB   ARG  57          2HB       ARG  57  10.263   2.678  -0.522
  435   2HB   ARG  57          1HB       ARG  57  11.134   3.588   0.707
  436   1HG   ARG  57          2HG       ARG  57  11.401   4.544  -1.528
  437   2HG   ARG  57          1HG       ARG  57  12.937   4.019  -0.839
  438   1HD   ARG  57          2HD       ARG  57  12.719   1.907  -2.135
  439   2HD   ARG  57          1HD       ARG  57  11.286   2.585  -2.908
  440    HE   ARG  57           HE       ARG  57  13.730   4.156  -3.099
  441   1HH1  ARG  57          2HH1      ARG  57  11.532   1.899  -4.602
  442   2HH1  ARG  57          1HH1      ARG  57  12.112   2.194  -6.211
  443   1HH2  ARG  57          2HH2      ARG  57  14.511   4.562  -5.205
  444   2HH2  ARG  57          1HH2      ARG  57  13.810   3.709  -6.560
  445    H    ARG  58           H        ARG  58  11.329   1.849   2.748
  446    HA   ARG  58           HA       ARG  58  13.715   3.157   3.628
  447   1HB   ARG  58          2HB       ARG  58  12.030   1.761   5.639
  448   2HB   ARG  58          1HB       ARG  58  12.714   3.378   5.678
  449   1HG   ARG  58          2HG       ARG  58  10.453   2.742   3.827
  450   2HG   ARG  58          1HG       ARG  58  10.152   3.073   5.530
  451   1HD   ARG  58          2HD       ARG  58  11.323   5.235   5.281
  452   2HD   ARG  58          1HD       ARG  58  11.526   4.899   3.561
  453    HE   ARG  58           HE       ARG  58   8.798   4.682   4.236
  454   1HH1  ARG  58          2HH1      ARG  58  11.293   7.134   3.947
  455   2HH1  ARG  58          1HH1      ARG  58  10.178   8.393   3.507
  456   1HH2  ARG  58          2HH2      ARG  58   7.328   6.332   3.644
  457   2HH2  ARG  58          1HH2      ARG  58   7.933   7.934   3.286
  458    H    ASP  59           H        ASP  59  12.567  -0.135   3.520
  459    HA   ASP  59           HA       ASP  59  14.786  -1.178   5.036
  460   1HB   ASP  59          2HB       ASP  59  12.716  -2.567   3.323
  461   2HB   ASP  59          1HB       ASP  59  13.929  -3.395   4.295
  462    H    TYR  60           H        TYR  60  13.929  -0.687   1.677
  463    HA   TYR  60           HA       TYR  60  16.106  -2.079   0.510
  464   1HB   TYR  60          2HB       TYR  60  14.768  -1.560  -1.237
  465   2HB   TYR  60          1HB       TYR  60  14.013  -0.232  -0.370
  466    HD1  TYR  60           1HD      TYR  60  14.736   2.032  -0.688
  467    HD2  TYR  60           2HD      TYR  60  16.777  -1.171  -2.615
  468    HE1  TYR  60           1HE      TYR  60  15.916   3.649  -2.116
  469    HE2  TYR  60           2HE      TYR  60  17.964   0.439  -4.041
  470    HH   TYR  60           HH       TYR  60  17.981   3.797  -3.430
  471    H    LEU  61           H        LEU  61  15.649   1.181   1.746
  472    HA   LEU  61           HA       LEU  61  18.111   2.245   0.895
  473   1HB   LEU  61          2HB       LEU  61  15.895   3.288   1.959
  474   2HB   LEU  61          1HB       LEU  61  16.877   3.218   3.413
  475    HG   LEU  61           HG       LEU  61  18.629   4.391   1.729
  476   1HD1  LEU  61          1HD1      LEU  61  16.206   4.445   0.315
  477   2HD1  LEU  61          2HD1      LEU  61  16.480   6.086   0.901
  478   3HD1  LEU  61          3HD1      LEU  61  17.711   5.282  -0.075
  479   1HD2  LEU  61          1HD2      LEU  61  16.658   5.353   3.704
  480   2HD2  LEU  61          2HD2      LEU  61  18.413   5.524   3.670
  481   3HD2  LEU  61          3HD2      LEU  61  17.405   6.579   2.680
  482    H    ARG  62           H        ARG  62  17.262   0.180   3.531
  483    HA   ARG  62           HA       ARG  62  19.413   0.762   5.263
  484   1HB   ARG  62          2HB       ARG  62  17.188  -0.864   5.348
  485   2HB   ARG  62          1HB       ARG  62  18.517  -2.016   5.314
  486   1HG   ARG  62          2HG       ARG  62  18.638  -1.722   7.512
  487   2HG   ARG  62          1HG       ARG  62  19.351  -0.146   7.152
  488   1HD   ARG  62          2HD       ARG  62  16.663   0.328   6.891
  489   2HD   ARG  62          1HD       ARG  62  16.722  -0.816   8.232
  490    HE   ARG  62           HE       ARG  62  18.580   0.916   8.998
  491   1HH1  ARG  62          2HH1      ARG  62  15.378   1.439   7.674
  492   2HH1  ARG  62          1HH1      ARG  62  15.138   2.956   8.498
  493   1HH2  ARG  62          2HH2      ARG  62  18.265   2.912  10.098
  494   2HH2  ARG  62          1HH2      ARG  62  16.762   3.777   9.887
  495    H    LEU  63           H        LEU  63  19.202  -1.097   2.359
  496    HA   LEU  63           HA       LEU  63  21.910  -2.136   2.855
  497   1HB   LEU  63          2HB       LEU  63  21.054  -3.748   0.885
  498   2HB   LEU  63          1HB       LEU  63  20.895  -4.119   2.589
  499    HG   LEU  63           HG       LEU  63  18.611  -2.604   1.692
  500   1HD1  LEU  63          1HD1      LEU  63  18.361  -5.177   0.400
  501   2HD1  LEU  63          2HD1      LEU  63  17.995  -3.565  -0.215
  502   3HD1  LEU  63          3HD1      LEU  63  19.636  -4.202  -0.331
  503   1HD2  LEU  63          1HD2      LEU  63  19.217  -5.185   3.045
  504   2HD2  LEU  63          2HD2      LEU  63  18.252  -3.817   3.599
  505   3HD2  LEU  63          3HD2      LEU  63  17.594  -4.934   2.400
  506    H    GLY  64           H        GLY  64  19.779  -0.619   0.495
  507   1HA   GLY  64          1HA       GLY  64  22.137  -0.250  -1.244
  508   2HA   GLY  64          2HA       GLY  64  20.509  -0.496  -1.850
  509    H    GLY  65           H        GLY  65  20.818   1.570   0.900
  510   1HA   GLY  65          1HA       GLY  65  20.838   3.917  -0.874
  511   2HA   GLY  65          2HA       GLY  65  19.604   3.755   0.367
  512    H    SER  66           H        SER  66  20.001   4.664   2.234
  513    HA   SER  66           HA       SER  66  22.759   4.988   3.151
  514   1HB   SER  66          2HB       SER  66  21.061   7.321   3.712
  515   2HB   SER  66          1HB       SER  66  22.735   7.253   3.168
  516    HG   SER  66           HG       SER  66  21.946   7.854   1.323
  517    H    GLY  67           H        GLY  67  20.292   3.375   3.844
  518   1HA   GLY  67          1HA       GLY  67  19.492   4.367   6.446
  519   2HA   GLY  67          2HA       GLY  67  18.967   2.872   5.690
  520    H    GLY  68           H        GLY  68  21.615   1.856   5.171
  521   1HA   GLY  68          1HA       GLY  68  22.154   0.754   7.792
  522   2HA   GLY  68          2HA       GLY  68  22.956   0.318   6.289
  523    H    HIS  69           H        HIS  69  23.427   3.201   5.738
  524    HA   HIS  69           HA       HIS  69  25.952   3.444   7.101
  525   1HB   HIS  69          2HB       HIS  69  24.521   4.977   4.959
  526   2HB   HIS  69          1HB       HIS  69  25.862   5.739   5.806
  527    HD2  HIS  69           2HD      HIS  69  25.187   3.174   3.045
  528    HE1  HIS  69           1HE      HIS  69  29.354   3.261   3.756
  529    HE2  HIS  69           2HE      HIS  69  27.537   2.579   2.123
  530    H    MET  70           H        MET  70  23.235   5.709   6.700
  531    HA   MET  70           HA       MET  70  23.853   6.785   9.362
  532   1HB   MET  70          2HB       MET  70  22.287   8.058   7.107
  533   2HB   MET  70          1HB       MET  70  22.716   8.822   8.633
  534   1HG   MET  70          2HG       MET  70  25.119   7.896   7.535
  535   2HG   MET  70          1HG       MET  70  24.222   8.623   6.203
  536   1HE   MET  70          1HE       MET  70  26.662   9.674   6.467
  537   2HE   MET  70          2HE       MET  70  26.824  11.292   7.153
  538   3HE   MET  70          3HE       MET  70  27.147   9.875   8.151
  539    H    GLY  71           H        GLY  71  20.970   6.445   7.287
  540   1HA   GLY  71          1HA       GLY  71  19.057   5.165   7.887
  541   2HA   GLY  71          2HA       GLY  71  19.561   5.256   9.570
  542    H    SER  72           H        SER  72  18.138   6.374  10.710
  543    HA   SER  72           HA       SER  72  16.523   8.450   9.498
  544   1HB   SER  72          2HB       SER  72  16.380   8.321  12.396
  545   2HB   SER  72          1HB       SER  72  15.119   8.015  11.203
  546    HG   SER  72           HG       SER  72  15.857   5.888  11.007
  547    H    GLY  73           H        GLY  73  18.570   9.617   8.922
  548   1HA   GLY  73          1HA       GLY  73  19.451  11.821   9.399
  549   2HA   GLY  73          2HA       GLY  73  19.316  11.452  11.113
  550    H    GLY  74           H        GLY  74  20.633   9.528  11.835
  551   1HA   GLY  74          1HA       GLY  74  22.520   8.188  11.757
  552   2HA   GLY  74          2HA       GLY  74  22.930   8.892  10.203
  553    H    ASP  75           H        ASP  75  24.484  10.376  10.104
  554    HA   ASP  75           HA       ASP  75  25.575  11.322  12.671
  555   1HB   ASP  75          2HB       ASP  75  26.946   9.735  11.093
  556   2HB   ASP  75          1HB       ASP  75  27.232  11.210  10.174
  557    H    VAL  76           H        VAL  76  25.882  13.435  12.973
  558    HA   VAL  76           HA       VAL  76  24.637  15.291  11.196
  559    HB   VAL  76           HB       VAL  76  26.477  15.969  13.494
  560   1HG1  VAL  76          1HG1      VAL  76  26.008  17.900  12.213
  561   2HG1  VAL  76          2HG1      VAL  76  24.309  17.463  12.038
  562   3HG1  VAL  76          3HG1      VAL  76  24.931  17.970  13.607
  563   1HG2  VAL  76          1HG2      VAL  76  24.084  14.501  13.619
  564   2HG2  VAL  76          2HG2      VAL  76  24.986  15.215  14.956
  565   3HG2  VAL  76          3HG2      VAL  76  23.698  16.131  14.173
  566    H    MET  77           H        MET  77  25.542  15.739   9.313
  567    HA   MET  77           HA       MET  77  28.257  15.429   8.716
  568   1HB   MET  77          2HB       MET  77  26.324  17.175   7.189
  569   2HB   MET  77          1HB       MET  77  27.749  16.350   6.568
  570   1HG   MET  77          2HG       MET  77  26.710  14.223   6.812
  571   2HG   MET  77          1HG       MET  77  25.351  14.926   7.682
  572   1HE   MET  77          1HE       MET  77  24.611  13.558   3.853
  573   2HE   MET  77          2HE       MET  77  26.339  13.568   4.204
  574   3HE   MET  77          3HE       MET  77  25.203  12.943   5.397
  575    H    VAL  78           H        VAL  78  29.824  16.983   8.131
  576    HA   VAL  78           HA       VAL  78  30.232  19.008  10.015
  577    HB   VAL  78           HB       VAL  78  32.051  19.789   8.402
  578   1HG1  VAL  78          1HG1      VAL  78  32.706  17.001   8.718
  579   2HG1  VAL  78          2HG1      VAL  78  33.352  18.408   9.561
  580   3HG1  VAL  78          3HG1      VAL  78  31.885  17.623  10.150
  581   1HG2  VAL  78          1HG2      VAL  78  32.592  18.337   6.548
  582   2HG2  VAL  78          2HG2      VAL  78  31.223  17.293   6.929
  583   3HG2  VAL  78          3HG2      VAL  78  30.944  18.938   6.361
  584    H    VAL  79           H        VAL  79  28.173  19.077   7.415
  585    HA   VAL  79           HA       VAL  79  28.410  21.838   6.678
  586    HB   VAL  79           HB       VAL  79  25.899  20.243   6.280
  587   1HG1  VAL  79          1HG1      VAL  79  27.357  22.284   4.602
  588   2HG1  VAL  79          2HG1      VAL  79  25.841  21.497   4.163
  589   3HG1  VAL  79          3HG1      VAL  79  25.906  22.564   5.566
  590   1HG2  VAL  79          1HG2      VAL  79  27.142  19.609   4.032
  591   2HG2  VAL  79          2HG2      VAL  79  28.563  19.713   5.072
  592   3HG2  VAL  79          3HG2      VAL  79  27.257  18.597   5.473
  593    H    GLY  80           H        GLY  80  27.125  20.145   9.322
  594   1HA   GLY  80          1HA       GLY  80  26.477  21.460  11.253
  595   2HA   GLY  80          2HA       GLY  80  25.655  22.563  10.159
  596    H    GLU  81           H        GLU  81  24.976  19.694   8.887
  597    HA   GLU  81           HA       GLU  81  22.961  18.775  10.717
  598   1HB   GLU  81          2HB       GLU  81  21.145  19.067   8.923
  599   2HB   GLU  81          1HB       GLU  81  21.593  20.478   9.871
  600   1HG   GLU  81          2HG       GLU  81  23.271  20.799   7.821
  601   2HG   GLU  81          1HG       GLU  81  21.986  19.912   7.001
  602    HA   PRO  82           HA       PRO  82  23.777  15.075   8.420
  603   1HB   PRO  82          2HB       PRO  82  21.262  13.946   9.345
  604   2HB   PRO  82          1HB       PRO  82  22.900  13.563   9.871
  605   1HG   PRO  82          2HG       PRO  82  21.078  14.819  11.453
  606   2HG   PRO  82          1HG       PRO  82  22.828  15.057  11.606
  607   1HD   PRO  82          2HD       PRO  82  20.793  16.790  10.249
  608   2HD   PRO  82          1HD       PRO  82  22.160  17.256  11.286
  609    H    THR  83           H        THR  83  21.265  13.489   7.774
  610    HA   THR  83           HA       THR  83  20.723  14.645   5.186
  611    HB   THR  83           HB       THR  83  19.036  12.652   5.159
  612    HG1  THR  83           1HG      THR  83  20.655  11.319   6.932
  613   1HG2  THR  83          1HG2      THR  83  21.325  11.138   5.106
  614   2HG2  THR  83          2HG2      THR  83  21.941  12.769   4.836
  615   3HG2  THR  83          3HG2      THR  83  20.710  12.104   3.761
  616    H    LEU  84           H        LEU  84  18.106  13.169   6.857
  617    HA   LEU  84           HA       LEU  84  16.898  15.795   7.402
  618   1HB   LEU  84          2HB       LEU  84  14.976  13.620   7.014
  619   2HB   LEU  84          1HB       LEU  84  14.936  15.269   6.424
  620    HG   LEU  84           HG       LEU  84  16.703  13.219   5.124
  621   1HD1  LEU  84          1HD1      LEU  84  14.948  12.068   4.424
  622   2HD1  LEU  84          2HD1      LEU  84  13.835  13.191   5.202
  623   3HD1  LEU  84          3HD1      LEU  84  14.403  13.505   3.563
  624   1HD2  LEU  84          1HD2      LEU  84  17.099  15.529   4.536
  625   2HD2  LEU  84          2HD2      LEU  84  16.373  14.677   3.173
  626   3HD2  LEU  84          3HD2      LEU  84  15.390  15.757   4.162
  627    H    MET  85           H        MET  85  15.041  15.452   9.107
  628    HA   MET  85           HA       MET  85  16.163  14.216  11.421
  629   1HB   MET  85          2HB       MET  85  14.110  16.028  10.947
  630   2HB   MET  85          1HB       MET  85  13.265  14.588  11.502
  631   1HG   MET  85          2HG       MET  85  13.871  14.939  13.600
  632   2HG   MET  85          1HG       MET  85  15.563  15.133  13.149
  633   1HE   MET  85          1HE       MET  85  16.786  16.832  13.365
  634   2HE   MET  85          2HE       MET  85  16.411  18.557  13.386
  635   3HE   MET  85          3HE       MET  85  16.196  17.590  14.843
  636    H    GLY  86           H        GLY  86  13.574  13.425   9.192
  637   1HA   GLY  86          1HA       GLY  86  13.709  10.599  10.036
  638   2HA   GLY  86          2HA       GLY  86  12.425  11.296   9.049
  639    H    GLY  87           H        GLY  87  15.937  10.876   9.078
  640   1HA   GLY  87          1HA       GLY  87  16.264  11.448   6.351
  641   2HA   GLY  87          2HA       GLY  87  17.475  10.731   7.396
  642    H    GLU  88           H        GLU  88  14.596   8.926   7.193
  643    HA   GLU  88           HA       GLU  88  15.942   6.968   5.507
  644   1HB   GLU  88          2HB       GLU  88  13.288   6.632   6.898
  645   2HB   GLU  88          1HB       GLU  88  14.378   5.380   6.317
  646   1HG   GLU  88          2HG       GLU  88  16.058   6.367   7.995
  647   2HG   GLU  88          1HG       GLU  88  14.648   7.134   8.716
  648    H    PHE  89           H        PHE  89  15.693   8.493   3.712
  649    HA   PHE  89           HA       PHE  89  13.232   9.383   2.759
  650   1HB   PHE  89          2HB       PHE  89  15.023   8.988   0.548
  651   2HB   PHE  89          1HB       PHE  89  14.492  10.489   1.297
  652    HD1  PHE  89           1HD      PHE  89  15.800  11.526   3.055
  653    HD2  PHE  89           2HD      PHE  89  17.142   8.020   1.063
  654    HE1  PHE  89           1HE      PHE  89  18.083  11.939   3.880
  655    HE2  PHE  89           2HE      PHE  89  19.427   8.418   1.883
  656    HZ   PHE  89           HZ       PHE  89  19.903  10.384   3.290
  657    H    GLY  90           H        GLY  90  12.730   8.839   0.261
  658   1HA   GLY  90          1HA       GLY  90  12.318   5.918   0.142
  659   2HA   GLY  90          2HA       GLY  90  11.199   7.093  -0.539
  660    H    ASP  91           H        ASP  91  11.690   8.104  -2.476
  661    HA   ASP  91           HA       ASP  91  14.073   7.114  -3.864
  662   1HB   ASP  91          2HB       ASP  91  12.532   7.546  -5.962
  663   2HB   ASP  91          1HB       ASP  91  12.469   6.036  -5.080
  664    H    GLU  92           H        GLU  92  11.607   9.438  -4.804
  665    HA   GLU  92           HA       GLU  92  13.657  11.558  -4.683
  666   1HB   GLU  92          2HB       GLU  92  11.557  12.154  -6.587
  667   2HB   GLU  92          1HB       GLU  92  13.301  12.167  -6.808
  668   1HG   GLU  92          2HG       GLU  92  12.850  10.533  -8.279
  669   2HG   GLU  92          1HG       GLU  92  12.847   9.516  -6.838
  670    H    ASP  93           H        ASP  93  10.161  10.889  -4.679
  671    HA   ASP  93           HA       ASP  93   9.883  12.831  -2.515
  672   1HB   ASP  93          2HB       ASP  93   8.473  14.267  -3.552
  673   2HB   ASP  93          1HB       ASP  93   9.245  13.663  -5.009
  674    H    GLU  94           H        GLU  94   9.653   9.849  -3.323
  675    HA   GLU  94           HA       GLU  94   8.763   8.052  -2.305
  676   1HB   GLU  94          2HB       GLU  94   6.952  10.018  -0.915
  677   2HB   GLU  94          1HB       GLU  94   6.833   8.275  -0.708
  678   1HG   GLU  94          2HG       GLU  94   8.742   8.140   0.510
  679   2HG   GLU  94          1HG       GLU  94   9.478   9.535  -0.281
  680    H    ARG  95           H        ARG  95   8.079   6.957  -3.899
  681    HA   ARG  95           HA       ARG  95   5.957   7.684  -5.646
  682   1HB   ARG  95          2HB       ARG  95   8.135   6.115  -5.785
  683   2HB   ARG  95          1HB       ARG  95   6.916   4.889  -5.486
  684   1HG   ARG  95          2HG       ARG  95   5.768   5.427  -7.482
  685   2HG   ARG  95          1HG       ARG  95   6.741   6.887  -7.721
  686   1HD   ARG  95          2HD       ARG  95   7.559   4.013  -7.936
  687   2HD   ARG  95          1HD       ARG  95   7.703   5.291  -9.153
  688    HE   ARG  95           HE       ARG  95   9.215   5.698  -6.701
  689   1HH1  ARG  95          2HH1      ARG  95   9.283   4.464  -9.990
  690   2HH1  ARG  95          1HH1      ARG  95  11.003   4.662 -10.147
  691   1HH2  ARG  95          2HH2      ARG  95  11.437   5.913  -6.898
  692   2HH2  ARG  95          1HH2      ARG  95  12.240   5.466  -8.373
  693    H    LEU  96           H        LEU  96   5.818   6.512  -2.618
  694    HA   LEU  96           HA       LEU  96   4.554   4.305  -2.166
  695   1HB   LEU  96          2HB       LEU  96   4.050   6.984  -1.018
  696   2HB   LEU  96          1HB       LEU  96   3.007   5.660  -0.522
  697    HG   LEU  96           HG       LEU  96   5.859   5.014  -0.453
  698   1HD1  LEU  96          1HD1      LEU  96   4.733   7.253   1.195
  699   2HD1  LEU  96          2HD1      LEU  96   6.101   6.282   1.735
  700   3HD1  LEU  96          3HD1      LEU  96   6.218   7.219   0.246
  701   1HD2  LEU  96          1HD2      LEU  96   3.908   4.860   1.804
  702   2HD2  LEU  96          2HD2      LEU  96   3.777   3.758   0.434
  703   3HD2  LEU  96          3HD2      LEU  96   5.249   3.785   1.406
  704    H    ILE  97           H        ILE  97   2.495   3.434  -1.843
  705    HA   ILE  97           HA       ILE  97   0.675   3.692  -4.007
  706    HB   ILE  97           HB       ILE  97  -0.493   2.390  -1.710
  707   1HG1  ILE  97          2HG1      ILE  97   1.528   0.542  -2.179
  708   2HG1  ILE  97          1HG1      ILE  97   2.383   2.075  -2.024
  709   1HG2  ILE  97          1HG2      ILE  97   0.259   0.511  -3.658
  710   2HG2  ILE  97          2HG2      ILE  97  -1.325   1.253  -3.412
  711   3HG2  ILE  97          3HG2      ILE  97  -0.162   1.995  -4.514
  712   1HD1  ILE  97          1HD1      ILE  97   0.331   1.262  -0.009
  713   2HD1  ILE  97          2HD1      ILE  97   1.982   0.650   0.077
  714   3HD1  ILE  97          3HD1      ILE  97   1.679   2.386   0.162
  715    H    THR  98           H        THR  98  -1.738   3.242  -2.482
  716    HA   THR  98           HA       THR  98  -2.226   5.584  -0.889
  717    HB   THR  98           HB       THR  98  -2.591   6.332  -3.296
  718    HG1  THR  98           1HG      THR  98  -4.116   7.657  -2.567
  719   1HG2  THR  98          1HG2      THR  98  -4.974   4.496  -3.059
  720   2HG2  THR  98          2HG2      THR  98  -3.612   4.297  -4.166
  721   3HG2  THR  98          3HG2      THR  98  -4.706   5.668  -4.351
  722    H    ARG  99           H        ARG  99  -4.226   5.410   0.272
  723    HA   ARG  99           HA       ARG  99  -5.174   2.629   0.418
  724   1HB   ARG  99          2HB       ARG  99  -5.477   4.821   2.482
  725   2HB   ARG  99          1HB       ARG  99  -5.880   3.124   2.690
  726   1HG   ARG  99          2HG       ARG  99  -3.123   3.463   1.894
  727   2HG   ARG  99          1HG       ARG  99  -3.498   4.369   3.361
  728   1HD   ARG  99          2HD       ARG  99  -3.758   1.418   2.864
  729   2HD   ARG  99          1HD       ARG  99  -2.808   2.245   4.097
  730    HE   ARG  99           HE       ARG  99  -5.426   2.933   4.608
  731   1HH1  ARG  99          2HH1      ARG  99  -3.519  -0.016   4.538
  732   2HH1  ARG  99          1HH1      ARG  99  -4.602  -0.867   5.602
  733   1HH2  ARG  99          2HH2      ARG  99  -6.781   1.834   6.045
  734   2HH2  ARG  99          1HH2      ARG  99  -6.432   0.182   6.477
  735    H    LEU 100           H        LEU 100  -7.153   2.192  -0.313
  736    HA   LEU 100           HA       LEU 100  -9.012   4.450  -0.650
  737   1HB   LEU 100          2HB       LEU 100  -7.978   2.879  -2.614
  738   2HB   LEU 100          1HB       LEU 100  -9.467   2.029  -2.256
  739    HG   LEU 100           HG       LEU 100 -10.193   4.724  -2.456
  740   1HD1  LEU 100          1HD1      LEU 100  -8.946   4.315  -5.041
  741   2HD1  LEU 100          2HD1      LEU 100  -8.955   5.740  -4.001
  742   3HD1  LEU 100          3HD1      LEU 100  -7.764   4.467  -3.740
  743   1HD2  LEU 100          1HD2      LEU 100 -10.628   3.311  -4.909
  744   2HD2  LEU 100          2HD2      LEU 100 -10.881   2.228  -3.540
  745   3HD2  LEU 100          3HD2      LEU 100 -11.783   3.740  -3.647
  746    H    GLU 101           H        GLU 101 -11.313   3.556  -0.940
  747    HA   GLU 101           HA       GLU 101 -11.842   1.826   1.366
  748   1HB   GLU 101          2HB       GLU 101 -14.294   2.765   0.721
  749   2HB   GLU 101          1HB       GLU 101 -13.204   3.554   1.853
  750   1HG   GLU 101          2HG       GLU 101 -12.600   5.187   0.346
  751   2HG   GLU 101          1HG       GLU 101 -13.088   4.226  -1.048
  752    H    ASN 102           H        ASN 102 -12.933  -0.037   1.187
  753    HA   ASN 102           HA       ASN 102 -13.549  -0.975  -1.517
  754   1HB   ASN 102          2HB       ASN 102 -12.188  -2.404   0.090
  755   2HB   ASN 102          1HB       ASN 102 -13.666  -2.587   1.037
  756   1HD2  ASN 102          1HD2      ASN 102 -12.968  -4.870   0.448
  757   2HD2  ASN 102          2HD2      ASN 102 -13.683  -5.547  -0.983
  758    H    THR 103           H        THR 103 -14.960  -0.652   1.706
  759    HA   THR 103           HA       THR 103 -17.615  -0.594   0.444
  760    HB   THR 103           HB       THR 103 -17.544  -0.803   3.379
  761    HG1  THR 103           1HG      THR 103 -16.699  -3.000   1.757
  762   1HG2  THR 103          1HG2      THR 103 -19.071  -2.837   2.455
  763   2HG2  THR 103          2HG2      THR 103 -19.144  -1.723   1.089
  764   3HG2  THR 103          3HG2      THR 103 -19.654  -1.190   2.689
  765    H    GLN 104           H        GLN 104 -16.980   0.643   3.692
  766    HA   GLN 104           HA       GLN 104 -16.536   3.338   2.872
  767   1HB   GLN 104          2HB       GLN 104 -18.739   4.130   4.030
  768   2HB   GLN 104          1HB       GLN 104 -18.773   3.628   2.347
  769   1HG   GLN 104          2HG       GLN 104 -19.376   1.296   3.363
  770   2HG   GLN 104          1HG       GLN 104 -19.862   2.260   4.757
  771   1HE2  GLN 104          1HE2      GLN 104 -21.946   2.633   4.775
  772   2HE2  GLN 104          2HE2      GLN 104 -22.950   2.939   3.388
  773    H    PHE 105           H        PHE 105 -14.918   2.159   4.462
  774    HA   PHE 105           HA       PHE 105 -15.635   3.064   7.164
  775   1HB   PHE 105          2HB       PHE 105 -14.871   0.431   6.315
  776   2HB   PHE 105          1HB       PHE 105 -13.652   1.071   7.410
  777    HD1  PHE 105           1HD      PHE 105 -15.857   2.858   8.825
  778    HD2  PHE 105           2HD      PHE 105 -15.445  -1.287   7.958
  779    HE1  PHE 105           1HE      PHE 105 -17.291   2.313  10.751
  780    HE2  PHE 105           2HE      PHE 105 -16.878  -1.837   9.878
  781    HZ   PHE 105           HZ       PHE 105 -17.802  -0.037  11.278
  782    H    ASP 106           H        ASP 106 -14.665   5.052   6.570
  783    HA   ASP 106           HA       ASP 106 -11.901   5.164   5.805
  784   1HB   ASP 106          2HB       ASP 106 -14.094   6.926   5.771
  785   2HB   ASP 106          1HB       ASP 106 -12.905   7.664   6.836
  786    H    ALA 107           H        ALA 107 -13.714   6.061   8.735
  787    HA   ALA 107           HA       ALA 107 -11.250   6.612  10.155
  788   1HB   ALA 107          1HB       ALA 107 -12.928   8.124  10.695
  789   2HB   ALA 107          2HB       ALA 107 -14.151   6.862  10.839
  790   3HB   ALA 107          3HB       ALA 107 -12.901   7.024  12.072
  791    H    ALA 108           H        ALA 108 -12.089   3.836   9.261
  792    HA   ALA 108           HA       ALA 108 -12.228   2.413  11.801
  793   1HB   ALA 108          1HB       ALA 108 -13.517   1.387  10.125
  794   2HB   ALA 108          2HB       ALA 108 -12.228   1.540   8.930
  795   3HB   ALA 108          3HB       ALA 108 -12.066   0.392  10.258
  796    H    ASN 109           H        ASN 109  -9.931   4.031  10.298
  797    HA   ASN 109           HA       ASN 109  -7.778   2.099  10.370
  798   1HB   ASN 109          2HB       ASN 109  -8.121   4.165   8.764
  799   2HB   ASN 109          1HB       ASN 109  -7.320   5.041  10.066
  800   1HD2  ASN 109          1HD2      ASN 109  -5.376   5.445   9.228
  801   2HD2  ASN 109          2HD2      ASN 109  -4.278   4.237   8.630
  802    H    GLY 110           H        GLY 110  -9.076   2.527  12.893
  803   1HA   GLY 110          1HA       GLY 110  -8.121   2.436  15.037
  804   2HA   GLY 110          2HA       GLY 110  -6.711   3.285  14.424
  805    H    ILE 111           H        ILE 111  -9.752   4.591  13.590
  806    HA   ILE 111           HA       ILE 111  -9.357   6.742  15.558
  807    HB   ILE 111           HB       ILE 111 -11.295   7.272  13.422
  808   1HG1  ILE 111          2HG1      ILE 111  -9.410   5.871  12.312
  809   2HG1  ILE 111          1HG1      ILE 111  -9.891   7.387  11.560
  810   1HG2  ILE 111          1HG2      ILE 111 -10.717   9.387  13.829
  811   2HG2  ILE 111          2HG2      ILE 111  -9.860   8.733  15.224
  812   3HG2  ILE 111          3HG2      ILE 111  -8.991   9.038  13.720
  813   1HD1  ILE 111          1HD1      ILE 111  -7.494   7.161  11.541
  814   2HD1  ILE 111          2HD1      ILE 111  -7.965   8.489  12.601
  815   3HD1  ILE 111          3HD1      ILE 111  -7.474   6.943  13.291
  816    H    ASP 112           H        ASP 112 -12.334   6.661  13.918
  817    HA   ASP 112           HA       ASP 112 -13.771   4.834  15.482
  818   1HB   ASP 112          2HB       ASP 112 -13.272   6.584  17.246
  819   2HB   ASP 112          1HB       ASP 112 -14.275   7.697  16.317
  820    H    ASP 113           H        ASP 113 -14.983   4.268  13.768
  821    HA   ASP 113           HA       ASP 113 -16.408   6.416  12.340
  822   1HB   ASP 113          2HB       ASP 113 -14.872   4.505  11.220
  823   2HB   ASP 113          1HB       ASP 113 -16.422   3.666  11.231
  824    H    GLU 114           H        GLU 114 -18.611   5.645  11.482
  825    HA   GLU 114           HA       GLU 114 -20.273   5.136  13.698
  826   1HB   GLU 114          2HB       GLU 114 -20.642   6.077  11.137
  827   2HB   GLU 114          1HB       GLU 114 -21.451   4.518  11.082
  828   1HG   GLU 114          2HG       GLU 114 -22.333   5.613  13.450
  829   2HG   GLU 114          1HG       GLU 114 -22.257   6.993  12.357
  Start of MODEL    5
    1   1H    GLY   1          1H        GLY   1 -16.399 -13.564  -6.723
    2   2H    GLY   1          2H        GLY   1 -14.743 -13.932  -6.610
    3   3H    GLY   1          3H        GLY   1 -15.370 -13.262  -8.035
    4   1HA   GLY   1          2HA       GLY   1 -15.091 -11.943  -5.397
    5   2HA   GLY   1          1HA       GLY   1 -14.233 -11.544  -6.878
    6    H    SER   2           H        SER   2 -16.871 -10.813  -4.938
    7    HA   SER   2           HA       SER   2 -18.685  -9.910  -6.930
    8   1HB   SER   2          2HB       SER   2 -18.926  -8.585  -4.342
    9   2HB   SER   2          1HB       SER   2 -20.068  -9.646  -5.170
   10    HG   SER   2           HG       SER   2 -19.528 -11.035  -3.692
   11    H    LEU   3           H        LEU   3 -16.161  -8.420  -5.042
   12    HA   LEU   3           HA       LEU   3 -16.505  -5.923  -6.567
   13   1HB   LEU   3          2HB       LEU   3 -15.047  -6.323  -3.955
   14   2HB   LEU   3          1HB       LEU   3 -15.287  -4.799  -4.788
   15    HG   LEU   3           HG       LEU   3 -17.846  -5.954  -4.356
   16   1HD1  LEU   3          1HD1      LEU   3 -16.217  -7.012  -2.480
   17   2HD1  LEU   3          2HD1      LEU   3 -16.695  -5.511  -1.687
   18   3HD1  LEU   3          3HD1      LEU   3 -17.924  -6.658  -2.222
   19   1HD2  LEU   3          1HD2      LEU   3 -17.720  -3.869  -2.660
   20   2HD2  LEU   3          2HD2      LEU   3 -16.339  -3.513  -3.696
   21   3HD2  LEU   3          3HD2      LEU   3 -17.943  -3.705  -4.401
   22    H    LEU   4           H        LEU   4 -13.739  -5.243  -5.504
   23    HA   LEU   4           HA       LEU   4 -12.291  -5.984  -7.785
   24   1HB   LEU   4          2HB       LEU   4 -11.258  -4.955  -5.180
   25   2HB   LEU   4          1HB       LEU   4 -10.457  -4.880  -6.740
   26    HG   LEU   4           HG       LEU   4 -11.259  -2.812  -6.675
   27   1HD1  LEU   4          1HD1      LEU   4 -13.938  -3.632  -7.492
   28   2HD1  LEU   4          2HD1      LEU   4 -12.800  -2.516  -8.255
   29   3HD1  LEU   4          3HD1      LEU   4 -12.578  -4.258  -8.428
   30   1HD2  LEU   4          1HD2      LEU   4 -12.331  -3.326  -4.390
   31   2HD2  LEU   4          2HD2      LEU   4 -12.882  -1.924  -5.311
   32   3HD2  LEU   4          3HD2      LEU   4 -13.826  -3.414  -5.328
   33    H    THR   5           H        THR   5 -10.178  -7.098  -7.702
   34    HA   THR   5           HA       THR   5 -10.020  -9.170  -5.631
   35    HB   THR   5           HB       THR   5  -8.655 -10.198  -7.843
   36    HG1  THR   5           1HG      THR   5 -10.698  -8.605  -8.668
   37   1HG2  THR   5          1HG2      THR   5  -9.680 -11.950  -6.941
   38   2HG2  THR   5          2HG2      THR   5 -11.186 -11.422  -7.695
   39   3HG2  THR   5          3HG2      THR   5 -10.782 -10.889  -6.063
   40    H    CYS   6           H        CYS   6  -8.101  -9.277  -4.641
   41    HA   CYS   6           HA       CYS   6  -6.213  -7.198  -5.275
   42   1HB   CYS   6          2HB       CYS   6  -6.387  -7.143  -3.029
   43   2HB   CYS   6          1HB       CYS   6  -6.966  -8.801  -2.940
   44    H    GLY   7           H        GLY   7  -4.226  -7.438  -6.094
   45   1HA   GLY   7          1HA       GLY   7  -3.600  -9.917  -7.385
   46   2HA   GLY   7          2HA       GLY   7  -2.622  -8.457  -7.407
   47    H    GLY   8           H        GLY   8  -3.145  -8.938  -4.257
   48   1HA   GLY   8          1HA       GLY   8  -0.522 -10.117  -3.888
   49   2HA   GLY   8          2HA       GLY   8  -1.547  -9.427  -2.639
   50    H    CYS   9           H        CYS   9  -3.803 -10.817  -2.667
   51    HA   CYS   9           HA       CYS   9  -2.866 -13.550  -2.116
   52   1HB   CYS   9          2HB       CYS   9  -4.693 -13.702  -0.503
   53   2HB   CYS   9          1HB       CYS   9  -3.670 -12.313  -0.158
   54    H    GLN  10           H        GLN  10  -5.160 -11.670  -3.882
   55    HA   GLN  10           HA       GLN  10  -6.636 -12.151  -5.521
   56   1HB   GLN  10          2HB       GLN  10  -4.738 -14.329  -5.628
   57   2HB   GLN  10          1HB       GLN  10  -6.343 -14.878  -6.094
   58   1HG   GLN  10          2HG       GLN  10  -4.858 -12.553  -7.295
   59   2HG   GLN  10          1HG       GLN  10  -5.053 -14.145  -8.020
   60   1HE2  GLN  10          1HE2      GLN  10  -7.292 -14.847  -8.407
   61   2HE2  GLN  10          2HE2      GLN  10  -8.459 -13.654  -8.884
   62    H    GLN  11           H        GLN  11  -7.148 -12.764  -2.593
   63    HA   GLN  11           HA       GLN  11  -9.212 -14.811  -2.812
   64   1HB   GLN  11          2HB       GLN  11  -9.201 -14.942  -0.509
   65   2HB   GLN  11          1HB       GLN  11  -7.544 -14.465  -0.831
   66   1HG   GLN  11          2HG       GLN  11  -8.195 -12.113  -0.378
   67   2HG   GLN  11          1HG       GLN  11  -9.791 -12.695   0.092
   68   1HE2  GLN  11          1HE2      GLN  11  -6.412 -12.619   0.893
   69   2HE2  GLN  11          2HE2      GLN  11  -6.593 -13.097   2.553
   70    H    ASN  12           H        ASN  12  -9.176 -11.856  -3.842
   71    HA   ASN  12           HA       ASN  12 -10.780 -10.370  -4.440
   72   1HB   ASN  12          2HB       ASN  12 -12.542 -11.768  -4.834
   73   2HB   ASN  12          1HB       ASN  12 -12.436 -12.531  -3.255
   74   1HD2  ASN  12          1HD2      ASN  12 -13.432 -11.517  -1.469
   75   2HD2  ASN  12          2HD2      ASN  12 -14.725 -10.379  -1.706
   76    H    ILE  13           H        ILE  13 -11.459  -8.419  -3.663
   77    HA   ILE  13           HA       ILE  13 -10.827  -7.926  -0.854
   78    HB   ILE  13           HB       ILE  13 -11.365  -5.862  -2.961
   79   1HG1  ILE  13          2HG1      ILE  13  -8.585  -6.676  -2.259
   80   2HG1  ILE  13          1HG1      ILE  13  -9.483  -7.671  -3.396
   81   1HG2  ILE  13          1HG2      ILE  13  -9.368  -5.295  -0.935
   82   2HG2  ILE  13          2HG2      ILE  13 -10.780  -4.356  -1.435
   83   3HG2  ILE  13          3HG2      ILE  13 -10.953  -5.653  -0.247
   84   1HD1  ILE  13          1HD1      ILE  13  -7.955  -5.639  -4.151
   85   2HD1  ILE  13          2HD1      ILE  13  -9.413  -6.117  -5.028
   86   3HD1  ILE  13          3HD1      ILE  13  -9.467  -4.764  -3.895
   87    H    GLY  14           H        GLY  14 -12.502  -8.084   0.485
   88   1HA   GLY  14          1HA       GLY  14 -15.106  -6.989  -0.404
   89   2HA   GLY  14          2HA       GLY  14 -14.935  -8.359   0.687
   90    H    ASP  15           H        ASP  15 -12.712  -5.841   1.096
   91    HA   ASP  15           HA       ASP  15 -13.620  -5.335   3.759
   92   1HB   ASP  15          2HB       ASP  15 -11.332  -4.423   2.077
   93   2HB   ASP  15          1HB       ASP  15 -11.745  -3.482   3.502
   94    H    ARG  16           H        ARG  16 -13.225  -2.764   4.302
   95    HA   ARG  16           HA       ARG  16 -15.286  -1.355   2.739
   96   1HB   ARG  16          2HB       ARG  16 -15.859  -0.129   4.598
   97   2HB   ARG  16          1HB       ARG  16 -15.321  -1.598   5.391
   98   1HG   ARG  16          2HG       ARG  16 -12.997  -0.228   5.264
   99   2HG   ARG  16          1HG       ARG  16 -14.152   1.096   5.401
  100   1HD   ARG  16          2HD       ARG  16 -13.678   0.631   7.609
  101   2HD   ARG  16          1HD       ARG  16 -15.144  -0.310   7.341
  102    HE   ARG  16           HE       ARG  16 -12.502  -1.576   7.092
  103   1HH1  ARG  16          2HH1      ARG  16 -15.644  -1.358   8.645
  104   2HH1  ARG  16          1HH1      ARG  16 -15.459  -2.862   9.507
  105   1HH2  ARG  16          2HH2      ARG  16 -12.265  -3.562   8.207
  106   2HH2  ARG  16          1HH2      ARG  16 -13.542  -4.113   9.253
  107    H    TYR  17           H        TYR  17 -11.968  -1.497   3.599
  108    HA   TYR  17           HA       TYR  17 -11.398   0.870   1.958
  109   1HB   TYR  17          2HB       TYR  17 -11.359   0.920   4.726
  110   2HB   TYR  17          1HB       TYR  17  -9.682   0.576   4.325
  111    HD1  TYR  17           1HD      TYR  17  -8.251   2.365   3.923
  112    HD2  TYR  17           2HD      TYR  17 -12.439   2.908   3.422
  113    HE1  TYR  17           1HE      TYR  17  -7.894   4.770   3.545
  114    HE2  TYR  17           2HE      TYR  17 -12.095   5.306   3.034
  115    HH   TYR  17           HH       TYR  17  -9.563   6.966   3.885
  116    H    PHE  18           H        PHE  18  -9.444   0.691   0.814
  117    HA   PHE  18           HA       PHE  18  -7.614  -1.464   1.358
  118   1HB   PHE  18          2HB       PHE  18  -8.028  -2.843  -0.508
  119   2HB   PHE  18          1HB       PHE  18  -9.611  -2.532   0.190
  120    HD1  PHE  18           1HD      PHE  18 -10.375   0.037  -0.891
  121    HD2  PHE  18           2HD      PHE  18  -8.267  -3.156  -2.750
  122    HE1  PHE  18           1HE      PHE  18 -11.184   0.787  -3.085
  123    HE2  PHE  18           2HE      PHE  18  -9.069  -2.409  -4.948
  124    HZ   PHE  18           HZ       PHE  18 -10.531  -0.435  -5.120
  125    H    LEU  19           H        LEU  19  -6.323  -1.738  -0.992
  126    HA   LEU  19           HA       LEU  19  -5.498   0.994  -1.710
  127   1HB   LEU  19          2HB       LEU  19  -3.897  -1.440  -0.984
  128   2HB   LEU  19          1HB       LEU  19  -3.211  -0.200  -2.008
  129    HG   LEU  19           HG       LEU  19  -4.374   0.581   0.627
  130   1HD1  LEU  19          1HD1      LEU  19  -2.933  -1.357   1.089
  131   2HD1  LEU  19          2HD1      LEU  19  -1.605  -0.554   0.250
  132   3HD1  LEU  19          3HD1      LEU  19  -2.262   0.142   1.731
  133   1HD2  LEU  19          1HD2      LEU  19  -3.185   2.482   0.351
  134   2HD2  LEU  19          2HD2      LEU  19  -1.841   1.659  -0.443
  135   3HD2  LEU  19          3HD2      LEU  19  -3.310   2.030  -1.352
  136    H    LYS  20           H        LYS  20  -5.070   1.331  -3.897
  137    HA   LYS  20           HA       LYS  20  -4.490  -0.843  -5.630
  138   1HB   LYS  20          2HB       LYS  20  -6.474  -1.393  -6.467
  139   2HB   LYS  20          1HB       LYS  20  -7.260  -0.275  -5.363
  140   1HG   LYS  20          2HG       LYS  20  -6.153   1.047  -7.701
  141   2HG   LYS  20          1HG       LYS  20  -7.327  -0.189  -8.115
  142   1HD   LYS  20          2HD       LYS  20  -7.940   1.798  -5.966
  143   2HD   LYS  20          1HD       LYS  20  -8.139   2.232  -7.666
  144   1HE   LYS  20          2HE       LYS  20  -9.285  -0.362  -7.058
  145   2HE   LYS  20          1HE       LYS  20  -9.982   0.916  -6.064
  146   1HZ   LYS  20          1HZ       LYS  20  -9.726   1.194  -8.996
  147   2HZ   LYS  20          2HZ       LYS  20 -10.728   2.059  -7.934
  148   3HZ   LYS  20          3HZ       LYS  20 -11.069   0.431  -8.291
  149    H    ALA  21           H        ALA  21  -3.345  -0.121  -7.395
  150    HA   ALA  21           HA       ALA  21  -3.637   2.281  -8.744
  151   1HB   ALA  21          1HB       ALA  21  -3.035   3.775  -7.157
  152   2HB   ALA  21          2HB       ALA  21  -2.102   2.591  -6.241
  153   3HB   ALA  21          3HB       ALA  21  -1.410   3.339  -7.682
  154    H    ILE  22           H        ILE  22  -1.094   0.250  -7.359
  155    HA   ILE  22           HA       ILE  22   0.995   0.758  -8.950
  156    HB   ILE  22           HB       ILE  22   0.196  -2.001  -8.017
  157   1HG1  ILE  22          2HG1      ILE  22   1.982   0.081  -6.743
  158   2HG1  ILE  22          1HG1      ILE  22   0.346  -0.311  -6.222
  159   1HG2  ILE  22          1HG2      ILE  22   2.536  -1.019  -9.463
  160   2HG2  ILE  22          2HG2      ILE  22   2.922  -1.923  -7.997
  161   3HG2  ILE  22          3HG2      ILE  22   1.932  -2.665  -9.257
  162   1HD1  ILE  22          1HD1      ILE  22   2.828  -1.983  -6.039
  163   2HD1  ILE  22          2HD1      ILE  22   1.741  -1.456  -4.748
  164   3HD1  ILE  22          3HD1      ILE  22   1.212  -2.683  -5.897
  165    H    ASP  23           H        ASP  23  -1.552  -1.552  -9.779
  166    HA   ASP  23           HA       ASP  23  -1.546  -1.214 -12.511
  167   1HB   ASP  23          2HB       ASP  23   0.467  -2.086 -13.099
  168   2HB   ASP  23          1HB       ASP  23   0.674  -2.885 -11.552
  169    H    GLN  24           H        GLN  24  -2.313  -2.754  -9.681
  170    HA   GLN  24           HA       GLN  24  -4.706  -3.848 -10.838
  171   1HB   GLN  24          2HB       GLN  24  -4.499  -6.045  -9.780
  172   2HB   GLN  24          1HB       GLN  24  -3.196  -5.795 -10.930
  173   1HG   GLN  24          2HG       GLN  24  -2.484  -4.947  -8.248
  174   2HG   GLN  24          1HG       GLN  24  -2.940  -6.648  -8.328
  175   1HE2  GLN  24          1HE2      GLN  24  -0.788  -4.217  -9.657
  176   2HE2  GLN  24          2HE2      GLN  24   0.417  -5.319 -10.221
  177    H    TYR  25           H        TYR  25  -5.940  -4.936  -8.765
  178    HA   TYR  25           HA       TYR  25  -5.995  -2.799  -6.770
  179   1HB   TYR  25          2HB       TYR  25  -7.820  -5.190  -6.773
  180   2HB   TYR  25          1HB       TYR  25  -8.110  -3.579  -6.114
  181    HD1  TYR  25           1HD      TYR  25  -9.321  -5.648  -8.437
  182    HD2  TYR  25           2HD      TYR  25  -7.627  -1.754  -8.248
  183    HE1  TYR  25           1HE      TYR  25 -10.503  -5.038 -10.512
  184    HE2  TYR  25           2HE      TYR  25  -8.807  -1.131 -10.312
  185    HH   TYR  25           HH       TYR  25 -11.216  -3.192 -11.761
  186    H    TRP  26           H        TRP  26  -5.927  -3.293  -4.490
  187    HA   TRP  26           HA       TRP  26  -4.516  -5.796  -3.860
  188   1HB   TRP  26          2HB       TRP  26  -3.710  -3.028  -2.962
  189   2HB   TRP  26          1HB       TRP  26  -2.953  -4.529  -2.448
  190    HD1  TRP  26           HD       TRP  26  -2.955  -1.991  -5.217
  191    HE1  TRP  26           1HE      TRP  26  -1.099  -2.581  -6.888
  192    HE3  TRP  26           3HE      TRP  26  -1.769  -6.638  -3.476
  193    HZ2  TRP  26           2HZ      TRP  26   0.633  -4.754  -7.423
  194    HZ3  TRP  26           3HZ      TRP  26  -0.009  -7.917  -4.635
  195    HH2  TRP  26           HH       TRP  26   1.168  -6.987  -6.564
  196    H    HIS  27           H        HIS  27  -3.890  -5.139  -1.292
  197    HA   HIS  27           HA       HIS  27  -6.456  -4.715   0.075
  198   1HB   HIS  27          2HB       HIS  27  -4.590  -6.996   0.275
  199   2HB   HIS  27          1HB       HIS  27  -5.094  -6.316   1.816
  200    HD2  HIS  27           2HD      HIS  27  -8.179  -5.929   1.559
  201    HE1  HIS  27           1HE      HIS  27  -8.259  -9.850  -0.039
  202    HE2  HIS  27           2HE      HIS  27  -9.599  -8.078   1.203
  203    H    GLU  28           H        GLU  28  -6.125  -3.975   2.335
  204    HA   GLU  28           HA       GLU  28  -4.179  -1.918   2.505
  205   1HB   GLU  28          2HB       GLU  28  -6.178  -3.139   4.382
  206   2HB   GLU  28          1HB       GLU  28  -5.029  -1.945   4.945
  207   1HG   GLU  28          2HG       GLU  28  -5.876  -0.382   3.225
  208   2HG   GLU  28          1HG       GLU  28  -7.098  -1.582   2.802
  209    H    ASP  29           H        ASP  29  -4.521  -5.135   3.940
  210    HA   ASP  29           HA       ASP  29  -1.982  -4.771   5.311
  211   1HB   ASP  29          2HB       ASP  29  -3.164  -5.669   6.980
  212   2HB   ASP  29          1HB       ASP  29  -4.474  -6.087   5.892
  213    H    CYS  30           H        CYS  30  -3.039  -6.123   2.493
  214    HA   CYS  30           HA       CYS  30  -1.325  -8.424   2.433
  215   1HB   CYS  30          2HB       CYS  30  -3.183  -7.090   0.570
  216   2HB   CYS  30          1HB       CYS  30  -1.811  -7.893  -0.189
  217    H    LEU  31           H        LEU  31  -1.197  -5.121   1.222
  218    HA   LEU  31           HA       LEU  31   1.479  -5.402   0.181
  219   1HB   LEU  31          2HB       LEU  31  -0.247  -2.975   0.677
  220   2HB   LEU  31          1HB       LEU  31   1.332  -2.923  -0.080
  221    HG   LEU  31           HG       LEU  31  -1.077  -4.365  -1.181
  222   1HD1  LEU  31          1HD1      LEU  31  -0.587  -2.500  -2.989
  223   2HD1  LEU  31          2HD1      LEU  31  -1.626  -2.193  -1.596
  224   3HD1  LEU  31          3HD1      LEU  31   0.052  -1.649  -1.581
  225   1HD2  LEU  31          1HD2      LEU  31   0.300  -5.388  -2.586
  226   2HD2  LEU  31          2HD2      LEU  31   0.995  -3.843  -3.075
  227   3HD2  LEU  31          3HD2      LEU  31   1.671  -4.719  -1.699
  228    H    SER  32           H        SER  32   3.135  -5.635   1.575
  229    HA   SER  32           HA       SER  32   3.472  -3.666   3.652
  230   1HB   SER  32          2HB       SER  32   4.132  -5.748   5.190
  231   2HB   SER  32          1HB       SER  32   2.501  -5.079   5.149
  232    HG   SER  32           HG       SER  32   1.953  -6.678   3.614
  233    H    CYS  33           H        CYS  33   5.357  -6.388   4.267
  234    HA   CYS  33           HA       CYS  33   7.699  -5.057   3.153
  235   1HB   CYS  33          2HB       CYS  33   7.104  -6.812   5.423
  236   2HB   CYS  33          1HB       CYS  33   8.577  -7.261   4.574
  237    H    ASP  34           H        ASP  34   8.337  -5.673   1.130
  238    HA   ASP  34           HA       ASP  34   7.707  -8.395   0.252
  239   1HB   ASP  34          2HB       ASP  34   7.385  -6.102  -1.086
  240   2HB   ASP  34          1HB       ASP  34   9.028  -6.477  -1.592
  241    H    LEU  35           H        LEU  35  10.467  -6.235   0.668
  242    HA   LEU  35           HA       LEU  35  12.439  -7.981  -0.353
  243   1HB   LEU  35          2HB       LEU  35  13.010  -5.687  -0.060
  244   2HB   LEU  35          1HB       LEU  35  12.572  -5.720   1.638
  245    HG   LEU  35           HG       LEU  35  14.539  -7.558   1.660
  246   1HD1  LEU  35          1HD1      LEU  35  15.623  -5.562  -0.286
  247   2HD1  LEU  35          2HD1      LEU  35  16.247  -7.151   0.156
  248   3HD1  LEU  35          3HD1      LEU  35  14.811  -7.018  -0.860
  249   1HD2  LEU  35          1HD2      LEU  35  14.744  -5.895   3.215
  250   2HD2  LEU  35          2HD2      LEU  35  16.048  -5.448   2.115
  251   3HD2  LEU  35          3HD2      LEU  35  14.499  -4.606   2.036
  252    H    CYS  36           H        CYS  36  11.299  -7.381   2.930
  253    HA   CYS  36           HA       CYS  36  12.880  -9.453   4.097
  254   1HB   CYS  36          2HB       CYS  36  10.471  -8.101   5.308
  255   2HB   CYS  36          1HB       CYS  36  11.840  -8.835   6.144
  256    H    GLY  37           H        GLY  37   9.805  -9.273   2.581
  257   1HA   GLY  37          1HA       GLY  37   8.283 -10.886   2.022
  258   2HA   GLY  37          2HA       GLY  37   9.543 -12.052   2.406
  259    H    CYS  38           H        CYS  38   8.076  -9.759   4.656
  260    HA   CYS  38           HA       CYS  38   7.608 -11.742   6.604
  261   1HB   CYS  38          2HB       CYS  38   6.210  -9.072   6.459
  262   2HB   CYS  38          1HB       CYS  38   6.574 -10.026   7.894
  263    HG   CYS  38           HG       CYS  38   8.236  -7.549   6.851
  264    H    ARG  39           H        ARG  39   5.072  -9.750   5.071
  265    HA   ARG  39           HA       ARG  39   3.370 -12.147   5.020
  266   1HB   ARG  39          2HB       ARG  39   2.757  -9.626   5.919
  267   2HB   ARG  39          1HB       ARG  39   2.113  -9.602   4.281
  268   1HG   ARG  39          2HG       ARG  39   0.984 -11.804   4.864
  269   2HG   ARG  39          1HG       ARG  39   1.392 -11.435   6.540
  270   1HD   ARG  39          2HD       ARG  39  -0.616 -10.425   6.537
  271   2HD   ARG  39          1HD       ARG  39   0.275  -9.101   5.788
  272    HE   ARG  39           HE       ARG  39  -0.911  -9.447   3.882
  273   1HH1  ARG  39          2HH1      ARG  39  -1.112 -12.359   5.822
  274   2HH1  ARG  39          1HH1      ARG  39  -2.266 -13.128   4.774
  275   1HH2  ARG  39          2HH2      ARG  39  -2.402 -10.471   2.474
  276   2HH2  ARG  39          1HH2      ARG  39  -2.965 -12.076   2.849
  277    H    LEU  40           H        LEU  40   4.763  -9.590   3.063
  278    HA   LEU  40           HA       LEU  40   3.539 -10.439   0.617
  279   1HB   LEU  40          2HB       LEU  40   5.689  -8.520   1.390
  280   2HB   LEU  40          1HB       LEU  40   5.567  -9.017  -0.284
  281    HG   LEU  40           HG       LEU  40   3.248  -7.825   1.213
  282   1HD1  LEU  40          1HD1      LEU  40   5.670  -6.562   0.465
  283   2HD1  LEU  40          2HD1      LEU  40   4.400  -5.996  -0.621
  284   3HD1  LEU  40          3HD1      LEU  40   4.205  -5.828   1.129
  285   1HD2  LEU  40          1HD2      LEU  40   3.836  -7.926  -1.738
  286   2HD2  LEU  40          2HD2      LEU  40   2.854  -9.126  -0.897
  287   3HD2  LEU  40          3HD2      LEU  40   2.334  -7.441  -0.953
  288    H    GLY  41           H        GLY  41   6.535  -9.992  -0.419
  289   1HA   GLY  41          1HA       GLY  41   8.400 -11.423  -0.756
  290   2HA   GLY  41          2HA       GLY  41   7.480 -12.749  -0.039
  291    H    GLU  42           H        GLU  42   6.772 -10.421  -2.610
  292    HA   GLU  42           HA       GLU  42   5.835 -10.648  -4.647
  293   1HB   GLU  42          2HB       GLU  42   8.104 -12.446  -4.561
  294   2HB   GLU  42          1HB       GLU  42   6.887 -12.985  -5.715
  295   1HG   GLU  42          2HG       GLU  42   8.081 -10.232  -5.607
  296   2HG   GLU  42          1HG       GLU  42   8.564 -11.508  -6.728
  297    H    VAL  43           H        VAL  43   3.850 -11.123  -3.401
  298    HA   VAL  43           HA       VAL  43   3.010 -13.871  -3.321
  299    HB   VAL  43           HB       VAL  43   0.812 -12.763  -2.512
  300   1HG1  VAL  43          1HG1      VAL  43   1.746 -12.505  -0.257
  301   2HG1  VAL  43          2HG1      VAL  43   2.355 -13.953  -1.061
  302   3HG1  VAL  43          3HG1      VAL  43   3.373 -12.518  -0.939
  303   1HG2  VAL  43          1HG2      VAL  43   0.700 -10.548  -2.247
  304   2HG2  VAL  43          2HG2      VAL  43   2.335 -10.453  -1.597
  305   3HG2  VAL  43          3HG2      VAL  43   2.080 -10.472  -3.341
  306    H    GLY  44           H        GLY  44   3.192 -11.941  -5.896
  307   1HA   GLY  44          1HA       GLY  44   2.002 -13.563  -7.555
  308   2HA   GLY  44          2HA       GLY  44   0.588 -12.701  -6.993
  309    H    ARG  45           H        ARG  45   3.199 -10.518  -7.177
  310    HA   ARG  45           HA       ARG  45   3.602 -10.097  -9.835
  311   1HB   ARG  45          2HB       ARG  45   0.940  -9.715  -9.510
  312   2HB   ARG  45          1HB       ARG  45   1.528  -8.078  -9.313
  313   1HG   ARG  45          2HG       ARG  45   2.133  -7.881 -11.478
  314   2HG   ARG  45          1HG       ARG  45   2.619  -9.574 -11.604
  315   1HD   ARG  45          2HD       ARG  45  -0.025  -8.314 -12.034
  316   2HD   ARG  45          1HD       ARG  45   0.742  -9.654 -12.886
  317    HE   ARG  45           HE       ARG  45   0.250 -10.795 -10.547
  318   1HH1  ARG  45          2HH1      ARG  45  -1.795  -8.661 -12.416
  319   2HH1  ARG  45          1HH1      ARG  45  -3.276  -9.422 -11.915
  320   1HH2  ARG  45          2HH2      ARG  45  -1.700 -11.814  -9.878
  321   2HH2  ARG  45          1HH2      ARG  45  -3.222 -11.229 -10.486
  322    H    ARG  46           H        ARG  46   2.226  -7.567  -7.764
  323    HA   ARG  46           HA       ARG  46   4.817  -6.190  -8.021
  324   1HB   ARG  46          2HB       ARG  46   2.122  -4.846  -8.100
  325   2HB   ARG  46          1HB       ARG  46   3.682  -4.169  -8.549
  326   1HG   ARG  46          2HG       ARG  46   3.561  -6.257 -10.246
  327   2HG   ARG  46          1HG       ARG  46   1.846  -5.875 -10.083
  328   1HD   ARG  46          2HD       ARG  46   2.098  -4.177 -11.490
  329   2HD   ARG  46          1HD       ARG  46   3.243  -3.432 -10.375
  330    HE   ARG  46           HE       ARG  46   4.981  -4.156 -11.687
  331   1HH1  ARG  46          2HH1      ARG  46   1.971  -5.583 -12.807
  332   2HH1  ARG  46          1HH1      ARG  46   2.710  -6.353 -14.184
  333   1HH2  ARG  46          2HH2      ARG  46   5.928  -5.111 -13.511
  334   2HH2  ARG  46          1HH2      ARG  46   4.965  -6.083 -14.587
  335    H    LEU  47           H        LEU  47   4.349  -3.877  -6.799
  336    HA   LEU  47           HA       LEU  47   3.358  -3.811  -4.180
  337   1HB   LEU  47          2HB       LEU  47   5.218  -5.654  -4.097
  338   2HB   LEU  47          1HB       LEU  47   6.333  -4.315  -4.249
  339    HG   LEU  47           HG       LEU  47   5.356  -5.397  -1.897
  340   1HD1  LEU  47          1HD1      LEU  47   6.942  -4.094  -0.980
  341   2HD1  LEU  47          2HD1      LEU  47   7.361  -3.783  -2.669
  342   3HD1  LEU  47          3HD1      LEU  47   6.360  -2.633  -1.781
  343   1HD2  LEU  47          1HD2      LEU  47   3.219  -4.298  -2.101
  344   2HD2  LEU  47          2HD2      LEU  47   4.157  -3.514  -0.830
  345   3HD2  LEU  47          3HD2      LEU  47   4.005  -2.748  -2.413
  346    H    TYR  48           H        TYR  48   5.117  -2.072  -3.000
  347    HA   TYR  48           HA       TYR  48   5.440   0.079  -4.952
  348   1HB   TYR  48          2HB       TYR  48   4.747   0.732  -2.654
  349   2HB   TYR  48          1HB       TYR  48   6.200  -0.025  -2.006
  350    HD1  TYR  48           1HD      TYR  48   6.526   1.661  -5.165
  351    HD2  TYR  48           2HD      TYR  48   6.711   2.223  -0.938
  352    HE1  TYR  48           1HE      TYR  48   7.787   3.744  -5.508
  353    HE2  TYR  48           2HE      TYR  48   7.985   4.308  -1.283
  354    HH   TYR  48           HH       TYR  48   8.105   6.073  -3.453
  355    H    TYR  49           H        TYR  49   6.885  -0.814  -6.327
  356    HA   TYR  49           HA       TYR  49   9.356  -1.837  -5.130
  357   1HB   TYR  49          2HB       TYR  49   9.245  -3.709  -6.542
  358   2HB   TYR  49          1HB       TYR  49   7.600  -3.468  -5.988
  359    HD1  TYR  49           1HD      TYR  49   5.914  -2.482  -7.556
  360    HD2  TYR  49           2HD      TYR  49   9.801  -3.648  -8.852
  361    HE1  TYR  49           1HE      TYR  49   5.118  -2.541  -9.876
  362    HE2  TYR  49           2HE      TYR  49   9.001  -3.713 -11.180
  363    HH   TYR  49           HH       TYR  49   6.746  -2.334 -12.400
  364    H    LYS  50           H        LYS  50  11.265  -1.768  -6.288
  365    HA   LYS  50           HA       LYS  50  11.588   0.645  -7.807
  366   1HB   LYS  50          2HB       LYS  50  13.331  -1.397  -6.553
  367   2HB   LYS  50          1HB       LYS  50  14.004  -0.520  -7.915
  368   1HG   LYS  50          2HG       LYS  50  12.890   0.704  -5.403
  369   2HG   LYS  50          1HG       LYS  50  14.599   0.540  -5.813
  370   1HD   LYS  50          2HD       LYS  50  14.106   1.911  -7.875
  371   2HD   LYS  50          1HD       LYS  50  12.522   2.242  -7.171
  372   1HE   LYS  50          2HE       LYS  50  14.429   2.733  -5.154
  373   2HE   LYS  50          1HE       LYS  50  15.036   3.492  -6.628
  374   1HZ   LYS  50          1HZ       LYS  50  13.713   5.155  -5.872
  375   2HZ   LYS  50          2HZ       LYS  50  12.636   4.115  -5.077
  376   3HZ   LYS  50          3HZ       LYS  50  12.547   4.305  -6.760
  377    H    LEU  51           H        LEU  51  13.033   0.540  -9.773
  378    HA   LEU  51           HA       LEU  51  11.870  -0.164 -12.007
  379   1HB   LEU  51          2HB       LEU  51  14.726  -0.945 -12.054
  380   2HB   LEU  51          1HB       LEU  51  13.831   0.079 -13.149
  381    HG   LEU  51           HG       LEU  51  15.436   1.466 -12.152
  382   1HD1  LEU  51          1HD1      LEU  51  14.080   3.153 -11.685
  383   2HD1  LEU  51          2HD1      LEU  51  12.754   1.998 -11.815
  384   3HD1  LEU  51          3HD1      LEU  51  13.456   2.362 -10.238
  385   1HD2  LEU  51          1HD2      LEU  51  14.963  -0.189  -9.792
  386   2HD2  LEU  51          2HD2      LEU  51  16.421   0.659 -10.319
  387   3HD2  LEU  51          3HD2      LEU  51  15.166   1.528  -9.434
  388    H    GLY  52           H        GLY  52  14.261  -2.436 -10.652
  389   1HA   GLY  52          1HA       GLY  52  12.556  -4.623 -11.662
  390   2HA   GLY  52          2HA       GLY  52  14.294  -4.634 -11.929
  391    H    ARG  53           H        ARG  53  13.167  -3.323  -8.949
  392    HA   ARG  53           HA       ARG  53  13.787  -5.854  -7.576
  393   1HB   ARG  53          2HB       ARG  53  14.787  -3.136  -6.721
  394   2HB   ARG  53          1HB       ARG  53  15.101  -4.665  -5.912
  395   1HG   ARG  53          2HG       ARG  53  15.930  -5.084  -8.517
  396   2HG   ARG  53          1HG       ARG  53  16.454  -3.443  -8.143
  397   1HD   ARG  53          2HD       ARG  53  17.550  -4.267  -6.110
  398   2HD   ARG  53          1HD       ARG  53  17.028  -5.907  -6.498
  399    HE   ARG  53           HE       ARG  53  18.450  -5.787  -8.477
  400   1HH1  ARG  53          2HH1      ARG  53  19.007  -3.475  -5.909
  401   2HH1  ARG  53          1HH1      ARG  53  20.636  -3.114  -6.408
  402   1HH2  ARG  53          2HH2      ARG  53  20.567  -5.290  -9.175
  403   2HH2  ARG  53          1HH2      ARG  53  21.520  -4.140  -8.277
  404    H    LYS  54           H        LYS  54  12.028  -6.431  -6.548
  405    HA   LYS  54           HA       LYS  54  10.127  -4.454  -5.591
  406   1HB   LYS  54          2HB       LYS  54  10.060  -7.465  -5.372
  407   2HB   LYS  54          1HB       LYS  54   8.723  -6.365  -5.073
  408   1HG   LYS  54          2HG       LYS  54   8.980  -5.643  -7.496
  409   2HG   LYS  54          1HG       LYS  54  10.012  -7.063  -7.685
  410   1HD   LYS  54          2HD       LYS  54   7.721  -7.572  -8.329
  411   2HD   LYS  54          1HD       LYS  54   8.185  -8.489  -6.893
  412   1HE   LYS  54          2HE       LYS  54   7.088  -6.003  -6.057
  413   2HE   LYS  54          1HE       LYS  54   5.993  -6.721  -7.240
  414   1HZ   LYS  54          1HZ       LYS  54   6.964  -7.943  -4.710
  415   2HZ   LYS  54          2HZ       LYS  54   6.096  -8.798  -5.901
  416   3HZ   LYS  54          3HZ       LYS  54   5.374  -7.491  -5.101
  417    H    LEU  55           H        LEU  55  10.559  -3.507  -3.682
  418    HA   LEU  55           HA       LEU  55  10.953  -5.174  -1.363
  419   1HB   LEU  55          2HB       LEU  55  13.082  -4.590  -0.761
  420   2HB   LEU  55          1HB       LEU  55  13.244  -4.684  -2.500
  421    HG   LEU  55           HG       LEU  55  12.796  -2.083  -1.051
  422   1HD1  LEU  55          1HD1      LEU  55  15.449  -2.234  -1.917
  423   2HD1  LEU  55          2HD1      LEU  55  14.863  -2.239  -0.253
  424   3HD1  LEU  55          3HD1      LEU  55  15.133  -3.764  -1.097
  425   1HD2  LEU  55          1HD2      LEU  55  12.654  -2.723  -3.726
  426   2HD2  LEU  55          2HD2      LEU  55  12.931  -1.113  -3.060
  427   3HD2  LEU  55          3HD2      LEU  55  14.300  -2.113  -3.545
  428    H    CYS  56           H        CYS  56  11.066  -3.893   0.632
  429    HA   CYS  56           HA       CYS  56   8.792  -2.255   0.702
  430   1HB   CYS  56          2HB       CYS  56  10.295  -2.138   3.124
  431   2HB   CYS  56          1HB       CYS  56   8.853  -3.094   2.765
  432    H    ARG  57           H        ARG  57   8.579  -0.093   1.521
  433    HA   ARG  57           HA       ARG  57  10.239   1.731   0.224
  434   1HB   ARG  57          2HB       ARG  57   8.067   2.478   0.521
  435   2HB   ARG  57          1HB       ARG  57   8.021   1.991   2.206
  436   1HG   ARG  57          2HG       ARG  57   7.995   4.413   1.980
  437   2HG   ARG  57          1HG       ARG  57   9.453   3.869   2.807
  438   1HD   ARG  57          2HD       ARG  57  10.616   5.078   1.348
  439   2HD   ARG  57          1HD       ARG  57  10.144   3.917   0.110
  440    HE   ARG  57           HE       ARG  57   8.064   5.747   0.349
  441   1HH1  ARG  57          2HH1      ARG  57  11.441   5.730  -0.596
  442   2HH1  ARG  57          1HH1      ARG  57  11.279   7.055  -1.701
  443   1HH2  ARG  57          2HH2      ARG  57   7.856   7.516  -1.071
  444   2HH2  ARG  57          1HH2      ARG  57   9.231   8.092  -1.964
  445    H    ARG  58           H        ARG  58   9.851   1.433   3.763
  446    HA   ARG  58           HA       ARG  58  11.939   3.228   4.328
  447   1HB   ARG  58          2HB       ARG  58  10.699   1.076   6.046
  448   2HB   ARG  58          1HB       ARG  58  11.841   2.271   6.648
  449   1HG   ARG  58          2HG       ARG  58   9.856   3.243   7.219
  450   2HG   ARG  58          1HG       ARG  58  10.136   3.967   5.634
  451   1HD   ARG  58          2HD       ARG  58   8.325   3.025   4.781
  452   2HD   ARG  58          1HD       ARG  58   8.777   1.442   5.405
  453    HE   ARG  58           HE       ARG  58   7.384   3.462   7.047
  454   1HH1  ARG  58          2HH1      ARG  58   7.726   0.177   5.863
  455   2HH1  ARG  58          1HH1      ARG  58   6.457  -0.448   6.871
  456   1HH2  ARG  58          2HH2      ARG  58   5.716   2.626   8.380
  457   2HH2  ARG  58          1HH2      ARG  58   5.316   0.939   8.297
  458    H    ASP  59           H        ASP  59  11.782  -0.196   3.988
  459    HA   ASP  59           HA       ASP  59  14.336  -0.811   4.995
  460   1HB   ASP  59          2HB       ASP  59  12.800  -2.550   3.066
  461   2HB   ASP  59          1HB       ASP  59  13.817  -3.043   4.412
  462    H    TYR  60           H        TYR  60  13.087  -0.008   1.838
  463    HA   TYR  60           HA       TYR  60  15.440  -0.625   0.343
  464   1HB   TYR  60          2HB       TYR  60  13.898  -0.266  -1.255
  465   2HB   TYR  60          1HB       TYR  60  12.851   0.610  -0.152
  466    HD1  TYR  60           1HD      TYR  60  12.920   3.047  -0.037
  467    HD2  TYR  60           2HD      TYR  60  15.444   0.910  -2.717
  468    HE1  TYR  60           1HE      TYR  60  13.376   5.129  -1.265
  469    HE2  TYR  60           2HE      TYR  60  15.917   2.983  -3.935
  470    HH   TYR  60           HH       TYR  60  14.812   6.105  -2.786
  471    H    LEU  61           H        LEU  61  14.217   2.226   2.026
  472    HA   LEU  61           HA       LEU  61  16.307   3.935   1.155
  473   1HB   LEU  61          2HB       LEU  61  13.926   4.126   2.733
  474   2HB   LEU  61          1HB       LEU  61  15.248   4.925   3.570
  475    HG   LEU  61           HG       LEU  61  14.965   5.552   0.695
  476   1HD1  LEU  61          1HD1      LEU  61  12.632   5.476   2.010
  477   2HD1  LEU  61          2HD1      LEU  61  13.169   7.098   2.450
  478   3HD1  LEU  61          3HD1      LEU  61  13.000   6.654   0.750
  479   1HD2  LEU  61          1HD2      LEU  61  16.637   6.754   1.709
  480   2HD2  LEU  61          2HD2      LEU  61  15.282   7.880   1.813
  481   3HD2  LEU  61          3HD2      LEU  61  15.747   6.928   3.223
  482    H    ARG  62           H        ARG  62  16.189   1.491   3.490
  483    HA   ARG  62           HA       ARG  62  18.117   2.554   5.303
  484   1HB   ARG  62          2HB       ARG  62  16.611   0.077   4.961
  485   2HB   ARG  62          1HB       ARG  62  18.242  -0.187   5.553
  486   1HG   ARG  62          2HG       ARG  62  16.451   1.841   6.830
  487   2HG   ARG  62          1HG       ARG  62  16.361   0.133   7.261
  488   1HD   ARG  62          2HD       ARG  62  17.881   0.815   8.811
  489   2HD   ARG  62          1HD       ARG  62  18.982   0.430   7.489
  490    HE   ARG  62           HE       ARG  62  19.480   2.661   7.279
  491   1HH1  ARG  62          2HH1      ARG  62  16.676   2.310   9.360
  492   2HH1  ARG  62          1HH1      ARG  62  16.664   3.986   9.828
  493   1HH2  ARG  62          2HH2      ARG  62  19.462   4.840   7.873
  494   2HH2  ARG  62          1HH2      ARG  62  18.259   5.434   8.989
  495    H    LEU  63           H        LEU  63  18.272   0.999   2.228
  496    HA   LEU  63           HA       LEU  63  21.179   0.669   2.578
  497   1HB   LEU  63          2HB       LEU  63  20.723  -0.977   0.523
  498   2HB   LEU  63          1HB       LEU  63  20.709  -1.492   2.196
  499    HG   LEU  63           HG       LEU  63  18.086  -0.675   1.701
  500   1HD1  LEU  63          1HD1      LEU  63  19.295  -1.246  -0.775
  501   2HD1  LEU  63          2HD1      LEU  63  18.257  -2.616  -0.380
  502   3HD1  LEU  63          3HD1      LEU  63  17.585  -0.987  -0.427
  503   1HD2  LEU  63          1HD2      LEU  63  19.115  -3.493   1.521
  504   2HD2  LEU  63          2HD2      LEU  63  19.015  -2.601   3.039
  505   3HD2  LEU  63          3HD2      LEU  63  17.551  -2.937   2.116
  506    H    GLY  64           H        GLY  64  18.662   1.306   0.123
  507   1HA   GLY  64          1HA       GLY  64  20.693   2.885  -1.332
  508   2HA   GLY  64          2HA       GLY  64  19.645   1.744  -2.153
  509    H    GLY  65           H        GLY  65  18.607   3.880   0.432
  510   1HA   GLY  65          1HA       GLY  65  16.556   4.985  -1.283
  511   2HA   GLY  65          2HA       GLY  65  16.848   5.405   0.401
  512    H    SER  66           H        SER  66  18.528   6.884   0.889
  513    HA   SER  66           HA       SER  66  19.185   8.681  -1.329
  514   1HB   SER  66          2HB       SER  66  19.956   9.927   1.040
  515   2HB   SER  66          1HB       SER  66  18.480  10.250   0.129
  516    HG   SER  66           HG       SER  66  17.671   9.697   2.044
  517    H    GLY  67           H        GLY  67  21.217   9.343   1.215
  518   1HA   GLY  67          1HA       GLY  67  23.285   7.512   0.152
  519   2HA   GLY  67          2HA       GLY  67  23.624   9.138   0.730
  520    H    GLY  68           H        GLY  68  21.344   8.019   2.752
  521   1HA   GLY  68          1HA       GLY  68  21.351   7.045   4.848
  522   2HA   GLY  68          2HA       GLY  68  22.918   6.341   4.470
  523    H    HIS  69           H        HIS  69  24.469   6.999   5.757
  524    HA   HIS  69           HA       HIS  69  25.796   8.274   7.075
  525   1HB   HIS  69          2HB       HIS  69  24.777  10.181   5.043
  526   2HB   HIS  69          1HB       HIS  69  25.560  10.872   6.459
  527    HD2  HIS  69           2HD      HIS  69  26.447   8.410   3.529
  528    HE1  HIS  69           1HE      HIS  69  29.986  10.117   5.100
  529    HE2  HIS  69           2HE      HIS  69  28.997   8.774   3.191
  530    H    MET  70           H        MET  70  23.784  11.074   6.899
  531    HA   MET  70           HA       MET  70  23.329  10.938   9.753
  532   1HB   MET  70          2HB       MET  70  22.308  13.071   7.885
  533   2HB   MET  70          1HB       MET  70  22.650  13.205   9.605
  534   1HG   MET  70          2HG       MET  70  25.051  12.879   9.099
  535   2HG   MET  70          1HG       MET  70  24.653  12.907   7.382
  536   1HE   MET  70          1HE       MET  70  26.313  15.159   9.867
  537   2HE   MET  70          2HE       MET  70  26.795  14.569   8.277
  538   3HE   MET  70          3HE       MET  70  26.505  16.292   8.528
  539    H    GLY  71           H        GLY  71  21.625  10.241   6.862
  540   1HA   GLY  71          1HA       GLY  71  19.603   9.063   6.740
  541   2HA   GLY  71          2HA       GLY  71  19.290   9.465   8.423
  542    H    SER  72           H        SER  72  18.876  10.387   5.134
  543    HA   SER  72           HA       SER  72  17.141  12.602   6.004
  544   1HB   SER  72          2HB       SER  72  18.325  12.936   3.341
  545   2HB   SER  72          1HB       SER  72  18.170  14.099   4.660
  546    HG   SER  72           HG       SER  72  19.945  12.301   5.422
  547    H    GLY  73           H        GLY  73  15.132  12.447   5.297
  548   1HA   GLY  73          1HA       GLY  73  14.292  11.607   2.765
  549   2HA   GLY  73          2HA       GLY  73  14.220  10.216   3.843
  550    H    GLY  74           H        GLY  74  11.877  10.838   2.900
  551   1HA   GLY  74          1HA       GLY  74   9.837  11.024   4.269
  552   2HA   GLY  74          2HA       GLY  74  10.584  12.414   5.047
  553    H    ASP  75           H        ASP  75   8.136  12.817   4.085
  554    HA   ASP  75           HA       ASP  75   8.621  14.597   1.818
  555   1HB   ASP  75          2HB       ASP  75   7.867  12.511   0.792
  556   2HB   ASP  75          1HB       ASP  75   6.459  12.480   1.847
  557    H    VAL  76           H        VAL  76   7.616  16.482   2.064
  558    HA   VAL  76           HA       VAL  76   5.772  16.826   4.296
  559    HB   VAL  76           HB       VAL  76   6.831  18.911   2.376
  560   1HG1  VAL  76          1HG1      VAL  76   5.989  20.549   3.848
  561   2HG1  VAL  76          2HG1      VAL  76   4.683  19.384   3.637
  562   3HG1  VAL  76          3HG1      VAL  76   5.656  19.359   5.107
  563   1HG2  VAL  76          1HG2      VAL  76   8.499  17.635   3.894
  564   2HG2  VAL  76          2HG2      VAL  76   8.560  19.396   3.837
  565   3HG2  VAL  76          3HG2      VAL  76   7.777  18.584   5.194
  566    H    MET  77           H        MET  77   3.709  16.399   3.944
  567    HA   MET  77           HA       MET  77   2.506  15.962   1.525
  568   1HB   MET  77          2HB       MET  77   1.528  16.458   4.266
  569   2HB   MET  77          1HB       MET  77   0.350  16.600   2.964
  570   1HG   MET  77          2HG       MET  77   1.833  14.284   2.448
  571   2HG   MET  77          1HG       MET  77   1.453  14.264   4.158
  572   1HE   MET  77          1HE       MET  77  -1.771  12.523   4.072
  573   2HE   MET  77          2HE       MET  77  -0.121  11.971   3.788
  574   3HE   MET  77          3HE       MET  77  -0.443  13.196   5.018
  575    H    VAL  78           H        VAL  78   0.932  17.071   0.308
  576    HA   VAL  78           HA       VAL  78  -0.101  18.815  -0.701
  577    HB   VAL  78           HB       VAL  78   0.763  20.387   1.717
  578   1HG1  VAL  78          1HG1      VAL  78   0.543  21.826  -0.306
  579   2HG1  VAL  78          2HG1      VAL  78  -1.132  21.289  -0.448
  580   3HG1  VAL  78          3HG1      VAL  78  -0.615  22.203   0.970
  581   1HG2  VAL  78          1HG2      VAL  78  -1.030  19.495   2.673
  582   2HG2  VAL  78          2HG2      VAL  78  -2.045  20.202   1.417
  583   3HG2  VAL  78          3HG2      VAL  78  -1.376  18.585   1.203
  584    H    VAL  79           H        VAL  79   2.892  19.983   0.725
  585    HA   VAL  79           HA       VAL  79   3.502  21.636  -1.537
  586    HB   VAL  79           HB       VAL  79   5.550  20.850   0.509
  587   1HG1  VAL  79          1HG1      VAL  79   6.655  22.707  -0.151
  588   2HG1  VAL  79          2HG1      VAL  79   5.704  22.488  -1.620
  589   3HG1  VAL  79          3HG1      VAL  79   5.174  23.635  -0.389
  590   1HG2  VAL  79          1HG2      VAL  79   4.732  22.594   2.005
  591   2HG2  VAL  79          2HG2      VAL  79   3.373  22.901   0.923
  592   3HG2  VAL  79          3HG2      VAL  79   3.500  21.356   1.763
  593    H    GLY  80           H        GLY  80   4.487  18.457  -0.410
  594   1HA   GLY  80          1HA       GLY  80   5.437  16.732  -1.617
  595   2HA   GLY  80          2HA       GLY  80   5.421  17.764  -3.041
  596    H    GLU  81           H        GLU  81   6.938  18.103   0.144
  597    HA   GLU  81           HA       GLU  81   9.478  18.649  -1.226
  598   1HB   GLU  81          2HB       GLU  81   8.403  19.484   1.462
  599   2HB   GLU  81          1HB       GLU  81  10.109  19.630   1.050
  600   1HG   GLU  81          2HG       GLU  81   8.628  20.762  -1.072
  601   2HG   GLU  81          1HG       GLU  81   7.963  21.390   0.437
  602    HA   PRO  82           HA       PRO  82  10.446  14.664   0.586
  603   1HB   PRO  82          2HB       PRO  82  12.222  13.889  -1.251
  604   2HB   PRO  82          1HB       PRO  82  10.493  13.955  -1.617
  605   1HG   PRO  82          2HG       PRO  82  12.665  15.862  -2.361
  606   2HG   PRO  82          1HG       PRO  82  11.265  15.331  -3.308
  607   1HD   PRO  82          2HD       PRO  82  11.447  17.719  -1.889
  608   2HD   PRO  82          1HD       PRO  82   9.940  16.964  -2.444
  609    H    THR  83           H        THR  83  12.758  13.508   0.705
  610    HA   THR  83           HA       THR  83  14.646  13.388   1.969
  611    HB   THR  83           HB       THR  83  15.881  15.727   0.733
  612    HG1  THR  83           1HG      THR  83  15.090  15.491  -1.222
  613   1HG2  THR  83          1HG2      THR  83  17.262  13.780  -0.247
  614   2HG2  THR  83          2HG2      THR  83  16.301  12.758   0.822
  615   3HG2  THR  83          3HG2      THR  83  17.310  14.037   1.498
  616    H    LEU  84           H        LEU  84  13.218  14.291   3.824
  617    HA   LEU  84           HA       LEU  84  14.056  16.911   4.749
  618   1HB   LEU  84          2HB       LEU  84  12.190  14.809   5.800
  619   2HB   LEU  84          1HB       LEU  84  12.720  16.129   6.825
  620    HG   LEU  84           HG       LEU  84  11.799  17.231   4.363
  621   1HD1  LEU  84          1HD1      LEU  84  10.569  14.862   4.619
  622   2HD1  LEU  84          2HD1      LEU  84   9.511  15.855   5.620
  623   3HD1  LEU  84          3HD1      LEU  84   9.790  16.289   3.935
  624   1HD2  LEU  84          1HD2      LEU  84   9.987  18.045   6.094
  625   2HD2  LEU  84          2HD2      LEU  84  11.121  17.358   7.257
  626   3HD2  LEU  84          3HD2      LEU  84  11.646  18.637   6.160
  627    H    MET  85           H        MET  85  15.300  17.294   6.574
  628    HA   MET  85           HA       MET  85  17.472  15.508   6.885
  629   1HB   MET  85          2HB       MET  85  17.208  18.146   7.220
  630   2HB   MET  85          1HB       MET  85  17.062  17.650   8.899
  631   1HG   MET  85          2HG       MET  85  19.279  16.345   7.578
  632   2HG   MET  85          1HG       MET  85  19.402  18.102   7.504
  633   1HE   MET  85          1HE       MET  85  21.843  16.923   9.284
  634   2HE   MET  85          2HE       MET  85  21.253  15.877  10.576
  635   3HE   MET  85          3HE       MET  85  20.859  15.511   8.896
  636    H    GLY  86           H        GLY  86  14.469  15.663   8.487
  637   1HA   GLY  86          1HA       GLY  86  15.191  14.744  11.053
  638   2HA   GLY  86          2HA       GLY  86  13.613  14.552  10.305
  639    H    GLY  87           H        GLY  87  14.822  13.077   8.017
  640   1HA   GLY  87          1HA       GLY  87  15.610  10.968   7.471
  641   2HA   GLY  87          2HA       GLY  87  16.019  10.719   9.163
  642    H    GLU  88           H        GLU  88  12.848  11.783   8.786
  643    HA   GLU  88           HA       GLU  88  11.861   9.085   9.326
  644   1HB   GLU  88          2HB       GLU  88   9.895  11.263   9.290
  645   2HB   GLU  88          1HB       GLU  88  10.185  10.031  10.506
  646   1HG   GLU  88          2HG       GLU  88  11.702  11.319  11.650
  647   2HG   GLU  88          1HG       GLU  88  12.105  12.290  10.235
  648    H    PHE  89           H        PHE  89  12.052   8.241   7.219
  649    HA   PHE  89           HA       PHE  89  10.845   9.554   4.988
  650   1HB   PHE  89          2HB       PHE  89  11.130   6.712   4.579
  651   2HB   PHE  89          1HB       PHE  89  11.916   8.047   3.749
  652    HD1  PHE  89           1HD      PHE  89  12.322   5.364   6.080
  653    HD2  PHE  89           2HD      PHE  89  13.986   9.054   4.772
  654    HE1  PHE  89           1HE      PHE  89  14.468   4.758   7.117
  655    HE2  PHE  89           2HE      PHE  89  16.138   8.457   5.803
  656    HZ   PHE  89           HZ       PHE  89  16.381   6.305   6.977
  657    H    GLY  90           H        GLY  90   8.990   9.078   3.930
  658   1HA   GLY  90          1HA       GLY  90   7.172   7.058   4.430
  659   2HA   GLY  90          2HA       GLY  90   6.748   8.366   5.532
  660    H    ASP  91           H        ASP  91   6.357   7.150   2.399
  661    HA   ASP  91           HA       ASP  91   5.953   9.688   1.119
  662   1HB   ASP  91          2HB       ASP  91   4.926   8.214  -0.732
  663   2HB   ASP  91          1HB       ASP  91   6.639   8.037  -0.391
  664    H    GLU  92           H        GLU  92   3.525   7.196   0.797
  665    HA   GLU  92           HA       GLU  92   1.541   8.995   2.047
  666   1HB   GLU  92          2HB       GLU  92   1.036   7.222  -0.349
  667   2HB   GLU  92          1HB       GLU  92  -0.077   8.381   0.364
  668   1HG   GLU  92          2HG       GLU  92   2.297   9.765  -0.321
  669   2HG   GLU  92          1HG       GLU  92   1.821   8.777  -1.701
  670    H    ASP  93           H        ASP  93   2.132   5.686   0.939
  671    HA   ASP  93           HA       ASP  93   1.126   4.670   3.487
  672   1HB   ASP  93          2HB       ASP  93  -0.685   4.622   1.598
  673   2HB   ASP  93          1HB       ASP  93   0.274   3.299   0.945
  674    H    GLU  94           H        GLU  94   3.674   5.060   2.078
  675    HA   GLU  94           HA       GLU  94   5.633   4.051   1.590
  676   1HB   GLU  94          2HB       GLU  94   4.584   1.465   2.705
  677   2HB   GLU  94          1HB       GLU  94   6.252   1.990   2.552
  678   1HG   GLU  94          2HG       GLU  94   4.231   2.618   4.631
  679   2HG   GLU  94          1HG       GLU  94   5.949   2.274   4.792
  680    H    ARG  95           H        ARG  95   3.651   4.280  -0.238
  681    HA   ARG  95           HA       ARG  95   4.221   2.191  -2.135
  682   1HB   ARG  95          2HB       ARG  95   2.075   1.882  -0.399
  683   2HB   ARG  95          1HB       ARG  95   1.351   2.554  -1.847
  684   1HG   ARG  95          2HG       ARG  95   1.271   0.461  -2.607
  685   2HG   ARG  95          1HG       ARG  95   3.020   0.583  -2.820
  686   1HD   ARG  95          2HD       ARG  95   2.111  -1.409  -1.487
  687   2HD   ARG  95          1HD       ARG  95   3.466  -0.506  -0.809
  688    HE   ARG  95           HE       ARG  95   0.808   0.299   0.063
  689   1HH1  ARG  95          2HH1      ARG  95   3.751  -1.468   0.773
  690   2HH1  ARG  95          1HH1      ARG  95   3.437  -1.559   2.481
  691   1HH2  ARG  95          2HH2      ARG  95   0.405   0.205   2.313
  692   2HH2  ARG  95          1HH2      ARG  95   1.538  -0.626   3.342
  693    H    LEU  96           H        LEU  96   3.159   2.676  -4.207
  694    HA   LEU  96           HA       LEU  96   2.958   5.543  -4.693
  695   1HB   LEU  96          2HB       LEU  96   3.589   5.072  -6.818
  696   2HB   LEU  96          1HB       LEU  96   4.200   3.611  -6.058
  697    HG   LEU  96           HG       LEU  96   1.566   3.003  -6.771
  698   1HD1  LEU  96          1HD1      LEU  96   1.108   3.865  -8.809
  699   2HD1  LEU  96          2HD1      LEU  96   2.124   5.183  -8.220
  700   3HD1  LEU  96          3HD1      LEU  96   2.808   3.945  -9.277
  701   1HD2  LEU  96          1HD2      LEU  96   2.607   1.207  -7.593
  702   2HD2  LEU  96          2HD2      LEU  96   3.598   2.177  -8.684
  703   3HD2  LEU  96          3HD2      LEU  96   4.096   1.946  -7.007
  704    H    ILE  97           H        ILE  97   0.997   3.827  -3.240
  705    HA   ILE  97           HA       ILE  97  -1.378   4.111  -4.940
  706    HB   ILE  97           HB       ILE  97  -1.108   2.365  -2.497
  707   1HG1  ILE  97          2HG1      ILE  97  -0.462   1.752  -5.375
  708   2HG1  ILE  97          1HG1      ILE  97   0.563   1.532  -3.960
  709   1HG2  ILE  97          1HG2      ILE  97  -3.376   2.780  -3.104
  710   2HG2  ILE  97          2HG2      ILE  97  -3.044   2.393  -4.793
  711   3HG2  ILE  97          3HG2      ILE  97  -2.966   1.126  -3.567
  712   1HD1  ILE  97          1HD1      ILE  97  -0.562  -0.516  -5.058
  713   2HD1  ILE  97          2HD1      ILE  97  -0.538  -0.378  -3.300
  714   3HD1  ILE  97          3HD1      ILE  97  -2.001   0.029  -4.195
  715    H    THR  98           H        THR  98  -3.396   4.466  -3.708
  716    HA   THR  98           HA       THR  98  -3.035   6.194  -1.365
  717    HB   THR  98           HB       THR  98  -3.845   7.321  -3.526
  718    HG1  THR  98           1HG      THR  98  -4.173   8.032  -1.226
  719   1HG2  THR  98          1HG2      THR  98  -6.272   5.676  -2.855
  720   2HG2  THR  98          2HG2      THR  98  -5.394   5.754  -4.383
  721   3HG2  THR  98          3HG2      THR  98  -6.344   7.138  -3.840
  722    H    ARG  99           H        ARG  99  -4.677   5.974   0.242
  723    HA   ARG  99           HA       ARG  99  -5.760   3.290   0.392
  724   1HB   ARG  99          2HB       ARG  99  -5.916   5.641   2.286
  725   2HB   ARG  99          1HB       ARG  99  -6.560   4.044   2.636
  726   1HG   ARG  99          2HG       ARG  99  -3.668   4.549   2.004
  727   2HG   ARG  99          1HG       ARG  99  -4.323   4.576   3.642
  728   1HD   ARG  99          2HD       ARG  99  -4.724   2.221   1.826
  729   2HD   ARG  99          1HD       ARG  99  -3.263   2.399   2.797
  730    HE   ARG  99           HE       ARG  99  -5.959   1.843   3.763
  731   1HH1  ARG  99          2HH1      ARG  99  -2.605   2.562   4.551
  732   2HH1  ARG  99          1HH1      ARG  99  -2.765   1.995   6.191
  733   1HH2  ARG  99          2HH2      ARG  99  -6.150   1.119   5.880
  734   2HH2  ARG  99          1HH2      ARG  99  -4.783   1.206   6.955
  735    H    LEU 100           H        LEU 100  -7.570   2.884  -0.715
  736    HA   LEU 100           HA       LEU 100  -9.572   5.020  -0.951
  737   1HB   LEU 100          2HB       LEU 100  -8.399   3.621  -2.922
  738   2HB   LEU 100          1HB       LEU 100  -9.777   2.581  -2.613
  739    HG   LEU 100           HG       LEU 100 -10.898   5.106  -2.768
  740   1HD1  LEU 100          1HD1      LEU 100  -9.549   6.439  -3.916
  741   2HD1  LEU 100          2HD1      LEU 100  -8.367   5.146  -4.117
  742   3HD1  LEU 100          3HD1      LEU 100  -9.680   5.330  -5.280
  743   1HD2  LEU 100          1HD2      LEU 100 -11.114   4.005  -5.309
  744   2HD2  LEU 100          2HD2      LEU 100 -10.870   2.621  -4.243
  745   3HD2  LEU 100          3HD2      LEU 100 -12.200   3.740  -3.945
  746    H    GLU 101           H        GLU 101 -11.811   4.002  -1.411
  747    HA   GLU 101           HA       GLU 101 -12.430   2.205   0.831
  748   1HB   GLU 101          2HB       GLU 101 -14.664   3.426  -0.648
  749   2HB   GLU 101          1HB       GLU 101 -14.410   3.275   1.086
  750   1HG   GLU 101          2HG       GLU 101 -13.001   5.192   1.121
  751   2HG   GLU 101          1HG       GLU 101 -12.966   5.267  -0.637
  752    H    ASN 102           H        ASN 102 -13.114   0.201   0.460
  753    HA   ASN 102           HA       ASN 102 -13.040  -0.816  -2.218
  754   1HB   ASN 102          2HB       ASN 102 -12.170  -2.072  -0.256
  755   2HB   ASN 102          1HB       ASN 102 -13.825  -2.238   0.335
  756   1HD2  ASN 102          1HD2      ASN 102 -14.853  -4.032  -0.212
  757   2HD2  ASN 102          2HD2      ASN 102 -14.434  -5.069  -1.546
  758    H    THR 103           H        THR 103 -15.506  -1.870   0.061
  759    HA   THR 103           HA       THR 103 -17.525  -1.690  -1.984
  760    HB   THR 103           HB       THR 103 -18.167  -2.229   0.892
  761    HG1  THR 103           1HG      THR 103 -17.435  -4.369   0.618
  762   1HG2  THR 103          1HG2      THR 103 -20.094  -2.416  -0.344
  763   2HG2  THR 103          2HG2      THR 103 -19.501  -4.073  -0.441
  764   3HG2  THR 103          3HG2      THR 103 -19.245  -2.963  -1.789
  765    H    GLN 104           H        GLN 104 -17.876  -0.638   1.376
  766    HA   GLN 104           HA       GLN 104 -18.078   2.117   0.644
  767   1HB   GLN 104          2HB       GLN 104 -20.454   2.083   1.943
  768   2HB   GLN 104          1HB       GLN 104 -20.297   2.080   0.194
  769   1HG   GLN 104          2HG       GLN 104 -20.179  -0.591   0.801
  770   2HG   GLN 104          1HG       GLN 104 -21.326   0.027   1.988
  771   1HE2  GLN 104          1HE2      GLN 104 -23.352  -0.019   1.358
  772   2HE2  GLN 104          2HE2      GLN 104 -23.925   0.109  -0.277
  773    H    PHE 105           H        PHE 105 -19.407   0.075   3.229
  774    HA   PHE 105           HA       PHE 105 -17.465   0.586   5.140
  775   1HB   PHE 105          2HB       PHE 105 -19.230   2.760   4.731
  776   2HB   PHE 105          1HB       PHE 105 -19.764   1.961   6.199
  777    HD1  PHE 105           1HD      PHE 105 -16.321   1.379   5.945
  778    HD2  PHE 105           2HD      PHE 105 -19.128   4.452   6.855
  779    HE1  PHE 105           1HE      PHE 105 -14.592   2.593   7.198
  780    HE2  PHE 105           2HE      PHE 105 -17.399   5.663   8.111
  781    HZ   PHE 105           HZ       PHE 105 -15.126   4.738   8.281
  782    H    ASP 106           H        ASP 106 -17.721  -1.051   6.515
  783    HA   ASP 106           HA       ASP 106 -19.790  -2.905   6.288
  784   1HB   ASP 106          2HB       ASP 106 -17.400  -2.690   7.793
  785   2HB   ASP 106          1HB       ASP 106 -18.693  -3.057   8.931
  786    H    ALA 107           H        ALA 107 -19.289  -0.285   8.562
  787    HA   ALA 107           HA       ALA 107 -21.992  -0.662   9.641
  788   1HB   ALA 107          1HB       ALA 107 -21.324   0.381  11.512
  789   2HB   ALA 107          2HB       ALA 107 -19.696   0.046  10.925
  790   3HB   ALA 107          3HB       ALA 107 -20.435   1.619  10.624
  791    H    ALA 108           H        ALA 108 -22.338  -0.110   7.169
  792    HA   ALA 108           HA       ALA 108 -22.177   2.616   6.392
  793   1HB   ALA 108          1HB       ALA 108 -23.687   1.910   4.528
  794   2HB   ALA 108          2HB       ALA 108 -22.215   0.952   4.691
  795   3HB   ALA 108          3HB       ALA 108 -23.753   0.309   5.268
  796    H    ASN 109           H        ASN 109 -24.332   0.949   8.406
  797    HA   ASN 109           HA       ASN 109 -26.729   2.356   7.922
  798   1HB   ASN 109          2HB       ASN 109 -26.343   0.216   9.316
  799   2HB   ASN 109          1HB       ASN 109 -25.929   1.314  10.629
  800   1HD2  ASN 109          1HD2      ASN 109 -27.540   1.678  11.953
  801   2HD2  ASN 109          2HD2      ASN 109 -29.224   1.761  11.522
  802    H    GLY 110           H        GLY 110 -23.910   3.042   9.890
  803   1HA   GLY 110          1HA       GLY 110 -25.142   5.553  10.811
  804   2HA   GLY 110          2HA       GLY 110 -23.702   4.816  11.500
  805    H    ILE 111           H        ILE 111 -22.401   6.629  11.272
  806    HA   ILE 111           HA       ILE 111 -21.861   7.442   8.493
  807    HB   ILE 111           HB       ILE 111 -20.905   9.053  10.822
  808   1HG1  ILE 111          2HG1      ILE 111 -23.374  10.107   9.772
  809   2HG1  ILE 111          1HG1      ILE 111 -23.631   8.478  10.391
  810   1HG2  ILE 111          1HG2      ILE 111 -20.655  10.754   9.304
  811   2HG2  ILE 111          2HG2      ILE 111 -20.372   9.353   8.270
  812   3HG2  ILE 111          3HG2      ILE 111 -21.943  10.156   8.257
  813   1HD1  ILE 111          1HD1      ILE 111 -22.778  10.937  11.837
  814   2HD1  ILE 111          2HD1      ILE 111 -24.039   9.771  12.239
  815   3HD1  ILE 111          3HD1      ILE 111 -22.342   9.348  12.464
  816    H    ASP 112           H        ASP 112 -20.450   6.485  11.543
  817    HA   ASP 112           HA       ASP 112 -17.856   6.066  10.203
  818   1HB   ASP 112          2HB       ASP 112 -18.075   7.465  12.400
  819   2HB   ASP 112          1HB       ASP 112 -18.238   5.894  13.177
  820    H    ASP 113           H        ASP 113 -16.700   4.056  10.871
  821    HA   ASP 113           HA       ASP 113 -18.565   1.845  10.745
  822   1HB   ASP 113          2HB       ASP 113 -16.312   2.132   9.429
  823   2HB   ASP 113          1HB       ASP 113 -15.604   1.446  10.889
  824    H    GLU 114           H        GLU 114 -19.474   1.480  12.650
  825    HA   GLU 114           HA       GLU 114 -17.711   0.791  14.895
  826   1HB   GLU 114          2HB       GLU 114 -19.142   2.945  15.118
  827   2HB   GLU 114          1HB       GLU 114 -20.507   1.848  15.265
  828   1HG   GLU 114          2HG       GLU 114 -18.669   0.846  17.065
  829   2HG   GLU 114          1HG       GLU 114 -18.499   2.593  17.216
  Start of MODEL    6
    1   1H    GLY   1          1H        GLY   1 -20.840  -4.243 -11.746
    2   2H    GLY   1          2H        GLY   1 -19.628  -3.063 -11.797
    3   3H    GLY   1          3H        GLY   1 -19.570  -4.286 -10.627
    4   1HA   GLY   1          2HA       GLY   1 -19.694  -5.344 -13.276
    5   2HA   GLY   1          1HA       GLY   1 -18.290  -4.310 -13.030
    6    H    SER   2           H        SER   2 -17.078  -6.328 -13.314
    7    HA   SER   2           HA       SER   2 -17.273  -8.451 -11.463
    8   1HB   SER   2          2HB       SER   2 -14.610  -8.268 -12.444
    9   2HB   SER   2          1HB       SER   2 -15.898  -9.345 -12.991
   10    HG   SER   2           HG       SER   2 -14.881  -7.074 -14.157
   11    H    LEU   3           H        LEU   3 -15.751  -9.021  -9.796
   12    HA   LEU   3           HA       LEU   3 -15.112  -6.782  -8.109
   13   1HB   LEU   3          2HB       LEU   3 -14.650  -9.747  -7.799
   14   2HB   LEU   3          1HB       LEU   3 -14.236  -8.564  -6.572
   15    HG   LEU   3           HG       LEU   3 -17.029  -8.515  -7.548
   16   1HD1  LEU   3          1HD1      LEU   3 -15.837 -10.813  -6.043
   17   2HD1  LEU   3          2HD1      LEU   3 -17.522 -10.346  -5.818
   18   3HD1  LEU   3          3HD1      LEU   3 -16.948 -10.834  -7.412
   19   1HD2  LEU   3          1HD2      LEU   3 -15.754  -7.193  -5.626
   20   2HD2  LEU   3          2HD2      LEU   3 -17.462  -7.621  -5.508
   21   3HD2  LEU   3          3HD2      LEU   3 -16.247  -8.604  -4.691
   22    H    LEU   4           H        LEU   4 -12.822  -7.204  -6.877
   23    HA   LEU   4           HA       LEU   4 -10.817  -7.054  -9.028
   24   1HB   LEU   4          2HB       LEU   4 -10.365  -6.017  -6.257
   25   2HB   LEU   4          1HB       LEU   4  -9.599  -5.529  -7.761
   26    HG   LEU   4           HG       LEU   4 -12.451  -4.981  -7.784
   27   1HD1  LEU   4          1HD1      LEU   4 -10.760  -3.811  -5.587
   28   2HD1  LEU   4          2HD1      LEU   4 -12.266  -3.090  -6.155
   29   3HD1  LEU   4          3HD1      LEU   4 -12.276  -4.697  -5.428
   30   1HD2  LEU   4          1HD2      LEU   4 -10.139  -4.053  -8.952
   31   2HD2  LEU   4          2HD2      LEU   4 -11.733  -3.303  -9.066
   32   3HD2  LEU   4          3HD2      LEU   4 -10.584  -2.749  -7.845
   33    H    THR   5           H        THR   5  -8.672  -7.871  -8.523
   34    HA   THR   5           HA       THR   5  -8.710  -9.943  -6.436
   35    HB   THR   5           HB       THR   5  -6.865 -10.894  -8.246
   36    HG1  THR   5           1HG      THR   5  -8.284  -9.277  -9.674
   37   1HG2  THR   5          1HG2      THR   5  -9.089 -12.358  -8.821
   38   2HG2  THR   5          2HG2      THR   5  -9.540 -11.610  -7.290
   39   3HG2  THR   5          3HG2      THR   5  -8.073 -12.588  -7.395
   40    H    CYS   6           H        CYS   6  -7.118  -9.812  -5.040
   41    HA   CYS   6           HA       CYS   6  -5.238  -7.672  -5.266
   42   1HB   CYS   6          2HB       CYS   6  -5.676  -7.706  -3.073
   43   2HB   CYS   6          1HB       CYS   6  -6.390  -9.310  -3.178
   44    H    GLY   7           H        GLY   7  -3.086  -7.772  -5.577
   45   1HA   GLY   7          1HA       GLY   7  -2.093 -10.124  -6.892
   46   2HA   GLY   7          2HA       GLY   7  -1.217  -8.621  -6.638
   47    H    GLY   8           H        GLY   8  -2.245  -9.250  -3.675
   48   1HA   GLY   8          1HA       GLY   8   0.317 -10.341  -2.885
   49   2HA   GLY   8          2HA       GLY   8  -0.950  -9.758  -1.817
   50    H    CYS   9           H        CYS   9  -3.081 -11.255  -2.275
   51    HA   CYS   9           HA       CYS   9  -2.092 -13.971  -1.710
   52   1HB   CYS   9          2HB       CYS   9  -3.966 -14.279  -0.253
   53   2HB   CYS   9          1HB       CYS   9  -3.210 -12.745   0.158
   54    H    GLN  10           H        GLN  10  -4.213 -12.087  -3.665
   55    HA   GLN  10           HA       GLN  10  -5.418 -12.535  -5.522
   56   1HB   GLN  10          2HB       GLN  10  -3.501 -14.741  -5.391
   57   2HB   GLN  10          1HB       GLN  10  -4.959 -15.129  -6.294
   58   1HG   GLN  10          2HG       GLN  10  -3.602 -12.553  -6.864
   59   2HG   GLN  10          1HG       GLN  10  -2.852 -14.039  -7.441
   60   1HE2  GLN  10          1HE2      GLN  10  -4.475 -15.563  -8.520
   61   2HE2  GLN  10          2HE2      GLN  10  -5.548 -14.815  -9.667
   62    H    GLN  11           H        GLN  11  -6.410 -13.302  -2.778
   63    HA   GLN  11           HA       GLN  11  -8.207 -15.507  -3.329
   64   1HB   GLN  11          2HB       GLN  11  -8.800 -15.427  -1.066
   65   2HB   GLN  11          1HB       GLN  11  -7.100 -14.983  -1.077
   66   1HG   GLN  11          2HG       GLN  11  -7.502 -12.952  -0.252
   67   2HG   GLN  11          1HG       GLN  11  -8.897 -12.699  -1.296
   68   1HE2  GLN  11          1HE2      GLN  11  -8.211 -12.429   1.692
   69   2HE2  GLN  11          2HE2      GLN  11  -9.603 -13.112   2.473
   70    H    ASN  12           H        ASN  12  -8.250 -12.547  -4.453
   71    HA   ASN  12           HA       ASN  12  -9.832 -11.235  -5.434
   72   1HB   ASN  12          2HB       ASN  12 -11.183 -13.163  -5.972
   73   2HB   ASN  12          1HB       ASN  12 -11.782 -13.265  -4.321
   74   1HD2  ASN  12          1HD2      ASN  12 -13.481 -12.026  -3.703
   75   2HD2  ASN  12          2HD2      ASN  12 -14.354 -10.986  -4.785
   76    H    ILE  13           H        ILE  13 -10.631  -9.317  -4.813
   77    HA   ILE  13           HA       ILE  13 -10.796  -8.842  -1.939
   78    HB   ILE  13           HB       ILE  13 -10.942  -6.730  -4.060
   79   1HG1  ILE  13          2HG1      ILE  13  -8.344  -7.390  -2.760
   80   2HG1  ILE  13          1HG1      ILE  13  -8.882  -8.419  -4.080
   81   1HG2  ILE  13          1HG2      ILE  13 -10.823  -5.276  -2.372
   82   2HG2  ILE  13          2HG2      ILE  13 -11.185  -6.642  -1.317
   83   3HG2  ILE  13          3HG2      ILE  13  -9.510  -6.165  -1.598
   84   1HD1  ILE  13          1HD1      ILE  13  -8.583  -6.804  -5.643
   85   2HD1  ILE  13          2HD1      ILE  13  -8.938  -5.492  -4.517
   86   3HD1  ILE  13          3HD1      ILE  13  -7.365  -6.294  -4.470
   87    H    GLY  14           H        GLY  14 -12.745  -9.327  -1.169
   88   1HA   GLY  14          1HA       GLY  14 -15.102  -8.198  -2.569
   89   2HA   GLY  14          2HA       GLY  14 -15.139  -9.694  -1.640
   90    H    ASP  15           H        ASP  15 -13.205  -7.244  -0.349
   91    HA   ASP  15           HA       ASP  15 -14.857  -7.019   1.982
   92   1HB   ASP  15          2HB       ASP  15 -12.219  -5.833   1.154
   93   2HB   ASP  15          1HB       ASP  15 -13.047  -5.262   2.602
   94    H    ARG  16           H        ARG  16 -14.738  -4.512   2.868
   95    HA   ARG  16           HA       ARG  16 -16.406  -3.048   0.956
   96   1HB   ARG  16          2HB       ARG  16 -16.673  -1.514   3.081
   97   2HB   ARG  16          1HB       ARG  16 -17.595  -2.999   2.922
   98   1HG   ARG  16          2HG       ARG  16 -16.744  -3.767   4.813
   99   2HG   ARG  16          1HG       ARG  16 -15.102  -3.571   4.194
  100   1HD   ARG  16          2HD       ARG  16 -16.125  -1.000   4.842
  101   2HD   ARG  16          1HD       ARG  16 -16.431  -2.075   6.206
  102    HE   ARG  16           HE       ARG  16 -13.779  -2.416   5.305
  103   1HH1  ARG  16          2HH1      ARG  16 -15.808  -0.147   7.048
  104   2HH1  ARG  16          1HH1      ARG  16 -14.476   0.576   7.905
  105   1HH2  ARG  16          2HH2      ARG  16 -12.031  -1.493   6.463
  106   2HH2  ARG  16          1HH2      ARG  16 -12.341  -0.209   7.602
  107    H    TYR  17           H        TYR  17 -13.315  -2.992   2.502
  108    HA   TYR  17           HA       TYR  17 -12.682  -0.508   1.053
  109   1HB   TYR  17          2HB       TYR  17 -12.897  -0.600   3.798
  110   2HB   TYR  17          1HB       TYR  17 -11.183  -0.913   3.554
  111    HD1  TYR  17           1HD      TYR  17 -13.425   1.248   1.541
  112    HD2  TYR  17           2HD      TYR  17 -10.179   1.087   4.285
  113    HE1  TYR  17           1HE      TYR  17 -13.069   3.658   1.243
  114    HE2  TYR  17           2HE      TYR  17  -9.811   3.504   3.992
  115    HH   TYR  17           HH       TYR  17 -11.907   5.426   1.839
  116    H    PHE  18           H        PHE  18 -10.554  -0.454   0.189
  117    HA   PHE  18           HA       PHE  18  -8.758  -2.628   0.785
  118   1HB   PHE  18          2HB       PHE  18  -8.716  -3.721  -1.276
  119   2HB   PHE  18          1HB       PHE  18 -10.425  -3.496  -0.946
  120    HD1  PHE  18           1HD      PHE  18  -7.945  -3.262  -3.365
  121    HD2  PHE  18           2HD      PHE  18 -11.433  -1.244  -1.987
  122    HE1  PHE  18           1HE      PHE  18  -8.203  -2.206  -5.570
  123    HE2  PHE  18           2HE      PHE  18 -11.698  -0.194  -4.191
  124    HZ   PHE  18           HZ       PHE  18 -10.082  -0.670  -5.984
  125    H    LEU  19           H        LEU  19  -6.855  -2.555  -0.855
  126    HA   LEU  19           HA       LEU  19  -6.118   0.266  -1.270
  127   1HB   LEU  19          2HB       LEU  19  -4.750  -1.918   0.197
  128   2HB   LEU  19          1HB       LEU  19  -3.733  -0.892  -0.793
  129    HG   LEU  19           HG       LEU  19  -5.612   0.253   1.255
  130   1HD1  LEU  19          1HD1      LEU  19  -4.007  -1.434   2.238
  131   2HD1  LEU  19          2HD1      LEU  19  -2.711  -0.348   1.738
  132   3HD1  LEU  19          3HD1      LEU  19  -3.925   0.201   2.894
  133   1HD2  LEU  19          1HD2      LEU  19  -3.092   1.588   0.724
  134   2HD2  LEU  19          2HD2      LEU  19  -4.069   1.395  -0.733
  135   3HD2  LEU  19          3HD2      LEU  19  -4.740   2.219   0.676
  136    H    LYS  20           H        LYS  20  -4.976   0.722  -3.136
  137    HA   LYS  20           HA       LYS  20  -3.702  -1.293  -4.674
  138   1HB   LYS  20          2HB       LYS  20  -5.213  -1.803  -6.269
  139   2HB   LYS  20          1HB       LYS  20  -6.406  -1.180  -5.145
  140   1HG   LYS  20          2HG       LYS  20  -5.150   0.792  -6.942
  141   2HG   LYS  20          1HG       LYS  20  -6.215  -0.391  -7.689
  142   1HD   LYS  20          2HD       LYS  20  -7.982   0.210  -6.074
  143   2HD   LYS  20          1HD       LYS  20  -6.924   1.455  -5.410
  144   1HE   LYS  20          2HE       LYS  20  -8.257   2.648  -6.886
  145   2HE   LYS  20          1HE       LYS  20  -6.808   2.329  -7.837
  146   1HZ   LYS  20          1HZ       LYS  20  -9.180   1.894  -8.807
  147   2HZ   LYS  20          2HZ       LYS  20  -9.034   0.417  -7.989
  148   3HZ   LYS  20          3HZ       LYS  20  -7.893   0.852  -9.169
  149    H    ALA  21           H        ALA  21  -2.323  -0.352  -6.274
  150    HA   ALA  21           HA       ALA  21  -2.432   2.224  -7.271
  151   1HB   ALA  21          1HB       ALA  21  -2.287   3.177  -5.099
  152   2HB   ALA  21          2HB       ALA  21  -0.950   2.116  -4.655
  153   3HB   ALA  21          3HB       ALA  21  -0.706   3.382  -5.857
  154    H    ILE  22           H        ILE  22  -0.156  -0.038  -5.782
  155    HA   ILE  22           HA       ILE  22   2.180   0.592  -6.948
  156    HB   ILE  22           HB       ILE  22   1.045  -2.103  -6.271
  157   1HG1  ILE  22          2HG1      ILE  22   3.039  -0.197  -5.075
  158   2HG1  ILE  22          1HG1      ILE  22   1.584  -0.865  -4.348
  159   1HG2  ILE  22          1HG2      ILE  22   3.352  -1.595  -7.956
  160   2HG2  ILE  22          2HG2      ILE  22   3.769  -2.512  -6.508
  161   3HG2  ILE  22          3HG2      ILE  22   2.519  -3.108  -7.604
  162   1HD1  ILE  22          1HD1      ILE  22   2.839  -3.123  -4.546
  163   2HD1  ILE  22          2HD1      ILE  22   4.273  -2.101  -4.693
  164   3HD1  ILE  22          3HD1      ILE  22   3.255  -1.997  -3.253
  165    H    ASP  23           H        ASP  23  -0.269  -1.474  -8.419
  166    HA   ASP  23           HA       ASP  23  -0.069  -0.635 -10.997
  167   1HB   ASP  23          2HB       ASP  23   2.320  -1.578 -10.809
  168   2HB   ASP  23          1HB       ASP  23   1.562  -3.167 -10.783
  169    H    GLN  24           H        GLN  24  -0.832  -2.834  -8.626
  170    HA   GLN  24           HA       GLN  24  -3.039  -3.869 -10.201
  171   1HB   GLN  24          2HB       GLN  24  -2.778  -6.129  -9.325
  172   2HB   GLN  24          1HB       GLN  24  -1.345  -5.667 -10.224
  173   1HG   GLN  24          2HG       GLN  24  -1.049  -4.996  -7.450
  174   2HG   GLN  24          1HG       GLN  24  -1.486  -6.693  -7.635
  175   1HE2  GLN  24          1HE2      GLN  24   0.513  -4.496  -9.579
  176   2HE2  GLN  24          2HE2      GLN  24   1.942  -5.480  -9.543
  177    H    TYR  25           H        TYR  25  -4.515  -5.103  -8.520
  178    HA   TYR  25           HA       TYR  25  -4.958  -3.169  -6.387
  179   1HB   TYR  25          2HB       TYR  25  -6.720  -5.544  -6.936
  180   2HB   TYR  25          1HB       TYR  25  -7.151  -3.991  -6.219
  181    HD1  TYR  25           1HD      TYR  25  -7.949  -5.823  -8.857
  182    HD2  TYR  25           2HD      TYR  25  -6.169  -2.024  -8.105
  183    HE1  TYR  25           1HE      TYR  25  -8.677  -5.045 -11.077
  184    HE2  TYR  25           2HE      TYR  25  -6.898  -1.243 -10.320
  185    HH   TYR  25           HH       TYR  25  -9.197  -2.781 -12.155
  186    H    TRP  26           H        TRP  26  -5.300  -3.821  -4.207
  187    HA   TRP  26           HA       TRP  26  -4.035  -6.366  -3.481
  188   1HB   TRP  26          2HB       TRP  26  -3.424  -3.692  -2.195
  189   2HB   TRP  26          1HB       TRP  26  -2.736  -5.243  -1.739
  190    HD1  TRP  26           HD       TRP  26  -2.408  -2.460  -4.310
  191    HE1  TRP  26           1HE      TRP  26  -0.225  -2.818  -5.629
  192    HE3  TRP  26           3HE      TRP  26  -1.156  -7.094  -2.567
  193    HZ2  TRP  26           2HZ      TRP  26   1.759  -4.799  -5.898
  194    HZ3  TRP  26           3HZ      TRP  26   0.894  -8.156  -3.410
  195    HH2  TRP  26           HH       TRP  26   2.324  -7.027  -5.038
  196    H    HIS  27           H        HIS  27  -4.024  -5.980  -0.789
  197    HA   HIS  27           HA       HIS  27  -6.846  -5.547  -0.070
  198   1HB   HIS  27          2HB       HIS  27  -4.981  -7.750   0.663
  199   2HB   HIS  27          1HB       HIS  27  -6.027  -7.138   1.938
  200    HD2  HIS  27           2HD      HIS  27  -8.856  -6.981   0.753
  201    HE1  HIS  27           1HE      HIS  27  -8.119 -10.766  -0.995
  202    HE2  HIS  27           2HE      HIS  27  -9.913  -9.196  -0.107
  203    H    GLU  28           H        GLU  28  -6.986  -5.017   2.359
  204    HA   GLU  28           HA       GLU  28  -5.467  -2.698   2.827
  205   1HB   GLU  28          2HB       GLU  28  -7.360  -4.315   4.521
  206   2HB   GLU  28          1HB       GLU  28  -6.642  -2.812   5.061
  207   1HG   GLU  28          2HG       GLU  28  -7.828  -2.536   2.448
  208   2HG   GLU  28          1HG       GLU  28  -8.992  -3.114   3.638
  209    H    ASP  29           H        ASP  29  -5.303  -5.994   4.129
  210    HA   ASP  29           HA       ASP  29  -3.049  -5.242   5.779
  211   1HB   ASP  29          2HB       ASP  29  -3.427  -7.319   6.917
  212   2HB   ASP  29          1HB       ASP  29  -4.968  -6.507   6.750
  213    H    CYS  30           H        CYS  30  -3.745  -6.719   2.856
  214    HA   CYS  30           HA       CYS  30  -1.587  -8.565   2.747
  215   1HB   CYS  30          2HB       CYS  30  -3.543  -7.471   0.774
  216   2HB   CYS  30          1HB       CYS  30  -2.112  -8.302   0.175
  217    H    LEU  31           H        LEU  31  -2.113  -5.366   1.351
  218    HA   LEU  31           HA       LEU  31   0.258  -5.057  -0.024
  219   1HB   LEU  31          2HB       LEU  31  -1.934  -3.473   0.587
  220   2HB   LEU  31          1HB       LEU  31  -0.582  -2.599   1.282
  221    HG   LEU  31           HG       LEU  31  -0.971  -3.379  -1.603
  222   1HD1  LEU  31          1HD1      LEU  31  -1.461  -1.221  -1.998
  223   2HD1  LEU  31          2HD1      LEU  31  -1.925  -1.236  -0.296
  224   3HD1  LEU  31          3HD1      LEU  31  -0.340  -0.627  -0.771
  225   1HD2  LEU  31          1HD2      LEU  31   1.448  -3.501  -0.481
  226   2HD2  LEU  31          2HD2      LEU  31   1.185  -2.908  -2.120
  227   3HD2  LEU  31          3HD2      LEU  31   1.374  -1.767  -0.789
  228    H    SER  32           H        SER  32   2.160  -5.579   0.851
  229    HA   SER  32           HA       SER  32   3.191  -3.845   2.939
  230   1HB   SER  32          2HB       SER  32   3.772  -6.763   3.294
  231   2HB   SER  32          1HB       SER  32   3.774  -5.471   4.491
  232    HG   SER  32           HG       SER  32   1.399  -6.366   3.234
  233    H    CYS  33           H        CYS  33   5.561  -4.009   3.081
  234    HA   CYS  33           HA       CYS  33   6.774  -4.055   0.544
  235   1HB   CYS  33          2HB       CYS  33   7.731  -2.691   2.242
  236   2HB   CYS  33          1HB       CYS  33   7.869  -4.044   3.353
  237    H    ASP  34           H        ASP  34   8.176  -5.498  -0.392
  238    HA   ASP  34           HA       ASP  34   7.549  -8.212  -0.217
  239   1HB   ASP  34          2HB       ASP  34   8.849  -6.710  -2.026
  240   2HB   ASP  34          1HB       ASP  34  10.235  -7.466  -1.253
  241    H    LEU  35           H        LEU  35  10.038  -6.334   1.334
  242    HA   LEU  35           HA       LEU  35  11.194  -8.778   2.470
  243   1HB   LEU  35          2HB       LEU  35  12.746  -7.377   1.289
  244   2HB   LEU  35          1HB       LEU  35  12.274  -5.979   2.232
  245    HG   LEU  35           HG       LEU  35  13.322  -6.829   4.189
  246   1HD1  LEU  35          1HD1      LEU  35  13.868  -9.363   2.639
  247   2HD1  LEU  35          2HD1      LEU  35  14.426  -9.007   4.273
  248   3HD1  LEU  35          3HD1      LEU  35  12.702  -9.184   3.951
  249   1HD2  LEU  35          1HD2      LEU  35  15.197  -7.431   1.910
  250   2HD2  LEU  35          2HD2      LEU  35  14.742  -5.798   2.396
  251   3HD2  LEU  35          3HD2      LEU  35  15.609  -6.844   3.522
  252    H    CYS  36           H        CYS  36  10.004  -5.571   3.454
  253    HA   CYS  36           HA       CYS  36  10.375  -5.865   6.224
  254   1HB   CYS  36          2HB       CYS  36   8.374  -4.284   4.616
  255   2HB   CYS  36          1HB       CYS  36   8.365  -4.266   6.373
  256    H    GLY  37           H        GLY  37   7.528  -6.498   4.223
  257   1HA   GLY  37          1HA       GLY  37   5.815  -8.001   4.444
  258   2HA   GLY  37          2HA       GLY  37   6.843  -8.872   5.575
  259    H    CYS  38           H        CYS  38   6.057  -5.568   6.277
  260    HA   CYS  38           HA       CYS  38   4.614  -6.444   8.634
  261   1HB   CYS  38          2HB       CYS  38   4.530  -3.760   8.823
  262   2HB   CYS  38          1HB       CYS  38   5.912  -4.718   9.339
  263    HG   CYS  38           HG       CYS  38   7.576  -3.401   7.909
  264    H    ARG  39           H        ARG  39   3.715  -3.422   7.194
  265    HA   ARG  39           HA       ARG  39   1.418  -4.282   5.787
  266   1HB   ARG  39          2HB       ARG  39   1.012  -4.587   8.442
  267   2HB   ARG  39          1HB       ARG  39   0.511  -2.913   8.251
  268   1HG   ARG  39          2HG       ARG  39  -1.434  -3.532   7.398
  269   2HG   ARG  39          1HG       ARG  39  -0.636  -4.524   6.173
  270   1HD   ARG  39          2HD       ARG  39  -1.053  -5.422   9.014
  271   2HD   ARG  39          1HD       ARG  39  -2.207  -5.744   7.720
  272    HE   ARG  39           HE       ARG  39   0.139  -6.672   6.725
  273   1HH1  ARG  39          2HH1      ARG  39  -1.680  -7.290   9.659
  274   2HH1  ARG  39          1HH1      ARG  39  -1.052  -8.904   9.847
  275   1HH2  ARG  39          2HH2      ARG  39   0.966  -8.770   6.976
  276   2HH2  ARG  39          1HH2      ARG  39   0.466  -9.737   8.336
  277    H    LEU  40           H        LEU  40   1.480  -2.746   4.283
  278    HA   LEU  40           HA       LEU  40   2.153  -0.002   4.948
  279   1HB   LEU  40          2HB       LEU  40   1.782  -1.573   2.479
  280   2HB   LEU  40          1HB       LEU  40   1.266   0.101   2.377
  281    HG   LEU  40           HG       LEU  40   3.936  -0.327   3.563
  282   1HD1  LEU  40          1HD1      LEU  40   3.492  -0.741   0.612
  283   2HD1  LEU  40          2HD1      LEU  40   5.040  -0.703   1.457
  284   3HD1  LEU  40          3HD1      LEU  40   3.901  -2.014   1.762
  285   1HD2  LEU  40          1HD2      LEU  40   4.435   1.592   2.033
  286   2HD2  LEU  40          2HD2      LEU  40   2.737   1.568   1.553
  287   3HD2  LEU  40          3HD2      LEU  40   3.175   1.905   3.228
  288    H    GLY  41           H        GLY  41  -0.558  -1.931   5.050
  289   1HA   GLY  41          1HA       GLY  41  -2.511   0.148   4.502
  290   2HA   GLY  41          2HA       GLY  41  -2.847  -1.473   5.107
  291    H    GLU  42           H        GLU  42  -0.435  -0.545   6.988
  292    HA   GLU  42           HA       GLU  42  -2.198   0.562   9.061
  293   1HB   GLU  42          2HB       GLU  42   0.426  -0.907   9.136
  294   2HB   GLU  42          1HB       GLU  42  -0.101   0.059  10.509
  295   1HG   GLU  42          2HG       GLU  42  -1.719  -2.164   9.295
  296   2HG   GLU  42          1HG       GLU  42  -0.634  -2.364  10.671
  297    H    VAL  43           H        VAL  43   1.210   0.872   8.137
  298    HA   VAL  43           HA       VAL  43   0.971   3.782   8.437
  299    HB   VAL  43           HB       VAL  43   2.749   3.145   9.828
  300   1HG1  VAL  43          1HG1      VAL  43   2.901   0.868   8.231
  301   2HG1  VAL  43          2HG1      VAL  43   4.478   1.643   8.085
  302   3HG1  VAL  43          3HG1      VAL  43   3.845   1.224   9.678
  303   1HG2  VAL  43          1HG2      VAL  43   3.447   4.381   7.292
  304   2HG2  VAL  43          2HG2      VAL  43   3.895   4.835   8.936
  305   3HG2  VAL  43          3HG2      VAL  43   4.825   3.610   8.075
  306    H    GLY  44           H        GLY  44   0.229   4.438   6.503
  307   1HA   GLY  44          1HA       GLY  44   1.910   4.089   4.170
  308   2HA   GLY  44          2HA       GLY  44   0.367   3.250   4.102
  309    H    ARG  45           H        ARG  45   1.816   6.424   4.629
  310    HA   ARG  45           HA       ARG  45  -0.641   7.726   3.705
  311   1HB   ARG  45          2HB       ARG  45   0.169   9.698   4.574
  312   2HB   ARG  45          1HB       ARG  45   0.999   8.561   5.624
  313   1HG   ARG  45          2HG       ARG  45   2.980   9.304   4.964
  314   2HG   ARG  45          1HG       ARG  45   2.562   9.075   3.264
  315   1HD   ARG  45          2HD       ARG  45   2.773  11.321   3.191
  316   2HD   ARG  45          1HD       ARG  45   1.119  11.278   3.802
  317    HE   ARG  45           HE       ARG  45   2.335  11.336   6.091
  318   1HH1  ARG  45          2HH1      ARG  45   3.300  13.035   3.178
  319   2HH1  ARG  45          1HH1      ARG  45   4.075  14.337   4.035
  320   1HH2  ARG  45          2HH2      ARG  45   3.384  13.028   7.229
  321   2HH2  ARG  45          1HH2      ARG  45   4.109  14.344   6.340
  322    H    ARG  46           H        ARG  46   2.471   6.704   2.755
  323    HA   ARG  46           HA       ARG  46   1.912   7.494   0.004
  324   1HB   ARG  46          2HB       ARG  46   4.366   7.976  -0.283
  325   2HB   ARG  46          1HB       ARG  46   3.484   9.161   0.668
  326   1HG   ARG  46          2HG       ARG  46   4.916   8.908   2.333
  327   2HG   ARG  46          1HG       ARG  46   4.506   7.198   2.444
  328   1HD   ARG  46          2HD       ARG  46   6.964   7.840   2.049
  329   2HD   ARG  46          1HD       ARG  46   6.266   6.557   1.062
  330    HE   ARG  46           HE       ARG  46   5.880   8.522  -0.588
  331   1HH1  ARG  46          2HH1      ARG  46   8.672   8.090   1.500
  332   2HH1  ARG  46          1HH1      ARG  46   9.744   8.939   0.428
  333   1HH2  ARG  46          2HH2      ARG  46   7.260   9.655  -1.954
  334   2HH2  ARG  46          1HH2      ARG  46   8.957   9.802  -1.564
  335    H    LEU  47           H        LEU  47   4.015   6.292  -1.270
  336    HA   LEU  47           HA       LEU  47   4.636   3.756  -0.092
  337   1HB   LEU  47          2HB       LEU  47   2.406   3.169  -0.721
  338   2HB   LEU  47          1HB       LEU  47   2.604   3.881  -2.311
  339    HG   LEU  47           HG       LEU  47   4.554   1.782  -1.843
  340   1HD1  LEU  47          1HD1      LEU  47   2.802   0.879  -0.394
  341   2HD1  LEU  47          2HD1      LEU  47   1.644   1.008  -1.719
  342   3HD1  LEU  47          3HD1      LEU  47   3.014  -0.096  -1.850
  343   1HD2  LEU  47          1HD2      LEU  47   4.014   1.182  -4.016
  344   2HD2  LEU  47          2HD2      LEU  47   2.354   1.760  -3.871
  345   3HD2  LEU  47          3HD2      LEU  47   3.681   2.914  -4.001
  346    H    TYR  48           H        TYR  48   6.509   3.121  -0.860
  347    HA   TYR  48           HA       TYR  48   7.225   3.928  -3.583
  348   1HB   TYR  48          2HB       TYR  48   8.601   5.267  -2.121
  349   2HB   TYR  48          1HB       TYR  48   9.052   3.850  -1.174
  350    HD1  TYR  48           1HD      TYR  48   9.256   5.249  -4.615
  351    HD2  TYR  48           2HD      TYR  48  10.979   2.662  -1.717
  352    HE1  TYR  48           1HE      TYR  48  11.172   4.857  -6.108
  353    HE2  TYR  48           2HE      TYR  48  12.907   2.277  -3.190
  354    HH   TYR  48           HH       TYR  48  12.988   3.517  -6.489
  355    H    TYR  49           H        TYR  49   7.957   2.382  -4.848
  356    HA   TYR  49           HA       TYR  49   8.989  -0.097  -3.764
  357   1HB   TYR  49          2HB       TYR  49   7.529  -1.541  -4.973
  358   2HB   TYR  49          1HB       TYR  49   6.483  -0.396  -4.138
  359    HD1  TYR  49           1HD      TYR  49   7.135  -1.972  -7.203
  360    HD2  TYR  49           2HD      TYR  49   5.825   1.734  -5.573
  361    HE1  TYR  49           1HE      TYR  49   6.064  -1.410  -9.347
  362    HE2  TYR  49           2HE      TYR  49   4.763   2.308  -7.713
  363    HH   TYR  49           HH       TYR  49   3.867   0.406  -9.891
  364    H    LYS  50           H        LYS  50  10.176  -1.281  -5.433
  365    HA   LYS  50           HA       LYS  50  11.435   0.551  -7.285
  366   1HB   LYS  50          2HB       LYS  50  12.187  -1.861  -5.963
  367   2HB   LYS  50          1HB       LYS  50  12.305  -2.139  -7.696
  368   1HG   LYS  50          2HG       LYS  50  13.485   0.319  -7.404
  369   2HG   LYS  50          1HG       LYS  50  13.979  -0.531  -5.939
  370   1HD   LYS  50          2HD       LYS  50  15.200  -2.085  -7.085
  371   2HD   LYS  50          1HD       LYS  50  14.169  -1.995  -8.515
  372   1HE   LYS  50          2HE       LYS  50  15.141   0.165  -9.095
  373   2HE   LYS  50          1HE       LYS  50  16.144   0.114  -7.644
  374   1HZ   LYS  50          1HZ       LYS  50  16.722  -2.229  -8.868
  375   2HZ   LYS  50          2HZ       LYS  50  17.656  -0.820  -8.968
  376   3HZ   LYS  50          3HZ       LYS  50  16.530  -1.180 -10.183
  377    H    LEU  51           H        LEU  51  11.535   0.224  -9.516
  378    HA   LEU  51           HA       LEU  51   9.264   0.084 -10.874
  379   1HB   LEU  51          2HB       LEU  51  10.462  -0.073 -12.867
  380   2HB   LEU  51          1HB       LEU  51  11.576   0.649 -11.724
  381    HG   LEU  51           HG       LEU  51  11.596  -2.267 -12.517
  382   1HD1  LEU  51          1HD1      LEU  51  13.824  -0.555 -13.327
  383   2HD1  LEU  51          2HD1      LEU  51  12.970  -1.813 -14.220
  384   3HD1  LEU  51          3HD1      LEU  51  12.294  -0.185 -14.125
  385   1HD2  LEU  51          1HD2      LEU  51  13.466  -0.582 -10.865
  386   2HD2  LEU  51          2HD2      LEU  51  12.540  -1.994 -10.347
  387   3HD2  LEU  51          3HD2      LEU  51  13.872  -2.182 -11.492
  388    H    GLY  52           H        GLY  52  11.076  -2.843 -10.024
  389   1HA   GLY  52          1HA       GLY  52   8.810  -4.386 -11.122
  390   2HA   GLY  52          2HA       GLY  52  10.475  -4.902 -11.332
  391    H    ARG  53           H        ARG  53   9.936  -3.491  -8.282
  392    HA   ARG  53           HA       ARG  53   9.129  -6.003  -7.056
  393   1HB   ARG  53          2HB       ARG  53  11.188  -5.413  -5.373
  394   2HB   ARG  53          1HB       ARG  53  11.246  -6.631  -6.636
  395   1HG   ARG  53          2HG       ARG  53  12.176  -4.877  -8.159
  396   2HG   ARG  53          1HG       ARG  53  12.303  -3.821  -6.756
  397   1HD   ARG  53          2HD       ARG  53  14.221  -4.767  -6.183
  398   2HD   ARG  53          1HD       ARG  53  13.440  -6.349  -6.106
  399    HE   ARG  53           HE       ARG  53  14.277  -5.319  -8.714
  400   1HH1  ARG  53          2HH1      ARG  53  14.776  -7.559  -6.065
  401   2HH1  ARG  53          1HH1      ARG  53  15.773  -8.638  -7.000
  402   1HH2  ARG  53          2HH2      ARG  53  15.591  -6.721  -9.944
  403   2HH2  ARG  53          1HH2      ARG  53  16.212  -8.175  -9.224
  404    H    LYS  54           H        LYS  54   7.788  -5.642  -5.431
  405    HA   LYS  54           HA       LYS  54   7.351  -2.922  -4.539
  406   1HB   LYS  54          2HB       LYS  54   5.563  -4.157  -3.088
  407   2HB   LYS  54          1HB       LYS  54   5.319  -3.998  -4.821
  408   1HG   LYS  54          2HG       LYS  54   5.254  -6.196  -5.090
  409   2HG   LYS  54          1HG       LYS  54   6.764  -6.413  -4.201
  410   1HD   LYS  54          2HD       LYS  54   5.623  -6.489  -2.118
  411   2HD   LYS  54          1HD       LYS  54   4.112  -5.948  -2.852
  412   1HE   LYS  54          2HE       LYS  54   3.548  -8.091  -3.066
  413   2HE   LYS  54          1HE       LYS  54   4.824  -8.234  -4.279
  414   1HZ   LYS  54          1HZ       LYS  54   5.022  -9.901  -2.519
  415   2HZ   LYS  54          2HZ       LYS  54   5.186  -8.673  -1.361
  416   3HZ   LYS  54          3HZ       LYS  54   6.372  -8.873  -2.559
  417    H    LEU  55           H        LEU  55   9.652  -3.032  -3.670
  418    HA   LEU  55           HA       LEU  55   9.480  -3.736  -0.827
  419   1HB   LEU  55          2HB       LEU  55  11.412  -4.870  -0.826
  420   2HB   LEU  55          1HB       LEU  55  11.153  -5.014  -2.552
  421    HG   LEU  55           HG       LEU  55  12.672  -2.666  -1.497
  422   1HD1  LEU  55          1HD1      LEU  55  14.614  -4.477  -2.170
  423   2HD1  LEU  55          2HD1      LEU  55  14.144  -4.038  -0.528
  424   3HD1  LEU  55          3HD1      LEU  55  13.449  -5.469  -1.289
  425   1HD2  LEU  55          1HD2      LEU  55  11.945  -2.958  -3.909
  426   2HD2  LEU  55          2HD2      LEU  55  13.666  -2.674  -3.646
  427   3HD2  LEU  55          3HD2      LEU  55  13.083  -4.303  -3.993
  428    H    CYS  56           H        CYS  56  10.503  -2.244   0.581
  429    HA   CYS  56           HA       CYS  56  10.072   0.386  -0.225
  430   1HB   CYS  56          2HB       CYS  56  10.994   1.049   1.971
  431   2HB   CYS  56          1HB       CYS  56   9.806  -0.241   2.087
  432    H    ARG  57           H        ARG  57  11.691   2.134   0.419
  433    HA   ARG  57           HA       ARG  57  13.914   1.952  -1.411
  434   1HB   ARG  57          2HB       ARG  57  12.666   4.060  -1.143
  435   2HB   ARG  57          1HB       ARG  57  13.183   4.151   0.534
  436   1HG   ARG  57          2HG       ARG  57  14.585   5.616  -0.664
  437   2HG   ARG  57          1HG       ARG  57  15.558   4.183  -0.324
  438   1HD   ARG  57          2HD       ARG  57  15.358   3.403  -2.543
  439   2HD   ARG  57          1HD       ARG  57  14.061   4.541  -2.904
  440    HE   ARG  57           HE       ARG  57  16.493   5.865  -2.182
  441   1HH1  ARG  57          2HH1      ARG  57  14.801   4.290  -4.823
  442   2HH1  ARG  57          1HH1      ARG  57  15.666   5.161  -6.055
  443   1HH2  ARG  57          2HH2      ARG  57  17.623   7.004  -3.816
  444   2HH2  ARG  57          1HH2      ARG  57  17.241   6.710  -5.485
  445    H    ARG  58           H        ARG  58  13.406   1.646   2.007
  446    HA   ARG  58           HA       ARG  58  16.160   2.020   2.706
  447   1HB   ARG  58          2HB       ARG  58  15.019   0.634   4.816
  448   2HB   ARG  58          1HB       ARG  58  15.160   2.379   4.675
  449   1HG   ARG  58          2HG       ARG  58  12.807   1.036   3.445
  450   2HG   ARG  58          1HG       ARG  58  12.863   1.227   5.198
  451   1HD   ARG  58          2HD       ARG  58  13.568   3.625   3.649
  452   2HD   ARG  58          1HD       ARG  58  11.895   3.087   3.484
  453    HE   ARG  58           HE       ARG  58  12.001   3.078   6.071
  454   1HH1  ARG  58          2HH1      ARG  58  13.482   5.412   3.919
  455   2HH1  ARG  58          1HH1      ARG  58  13.524   6.678   5.111
  456   1HH2  ARG  58          2HH2      ARG  58  12.026   4.746   7.631
  457   2HH2  ARG  58          1HH2      ARG  58  12.749   6.281   7.235
  458    H    ASP  59           H        ASP  59  14.015  -0.772   2.294
  459    HA   ASP  59           HA       ASP  59  15.989  -2.716   2.922
  460   1HB   ASP  59          2HB       ASP  59  13.348  -2.779   1.502
  461   2HB   ASP  59          1HB       ASP  59  14.405  -4.186   1.433
  462    H    TYR  60           H        TYR  60  14.822  -1.336  -0.107
  463    HA   TYR  60           HA       TYR  60  16.493  -2.776  -1.842
  464   1HB   TYR  60          2HB       TYR  60  15.010  -1.677  -3.153
  465   2HB   TYR  60          1HB       TYR  60  14.787  -0.389  -1.976
  466    HD1  TYR  60           1HD      TYR  60  16.255   1.582  -1.993
  467    HD2  TYR  60           2HD      TYR  60  16.562  -1.445  -4.969
  468    HE1  TYR  60           1HE      TYR  60  17.556   3.113  -3.418
  469    HE2  TYR  60           2HE      TYR  60  17.876   0.071  -6.390
  470    HH   TYR  60           HH       TYR  60  18.206   2.474  -6.694
  471    H    LEU  61           H        LEU  61  16.984   0.170   0.017
  472    HA   LEU  61           HA       LEU  61  19.417   1.002  -1.098
  473   1HB   LEU  61          2HB       LEU  61  17.687   1.864   0.863
  474   2HB   LEU  61          1HB       LEU  61  19.132   1.467   1.773
  475    HG   LEU  61           HG       LEU  61  18.993   3.845   1.141
  476   1HD1  LEU  61          1HD1      LEU  61  21.175   2.265   1.167
  477   2HD1  LEU  61          2HD1      LEU  61  21.291   2.946  -0.455
  478   3HD1  LEU  61          3HD1      LEU  61  21.224   4.015   0.947
  479   1HD2  LEU  61          1HD2      LEU  61  18.849   4.614  -0.998
  480   2HD2  LEU  61          2HD2      LEU  61  19.613   3.180  -1.683
  481   3HD2  LEU  61          3HD2      LEU  61  17.931   3.116  -1.158
  482    H    ARG  62           H        ARG  62  18.670  -1.449   1.290
  483    HA   ARG  62           HA       ARG  62  21.380  -1.627   2.193
  484   1HB   ARG  62          2HB       ARG  62  18.787  -2.893   2.846
  485   2HB   ARG  62          1HB       ARG  62  20.231  -3.806   3.231
  486   1HG   ARG  62          2HG       ARG  62  19.169  -1.328   4.433
  487   2HG   ARG  62          1HG       ARG  62  20.001  -2.686   5.187
  488   1HD   ARG  62          2HD       ARG  62  21.700  -1.231   5.371
  489   2HD   ARG  62          1HD       ARG  62  22.003  -1.648   3.689
  490    HE   ARG  62           HE       ARG  62  20.160   0.496   3.809
  491   1HH1  ARG  62          2HH1      ARG  62  23.564  -0.217   4.181
  492   2HH1  ARG  62          1HH1      ARG  62  24.043   1.445   4.044
  493   1HH2  ARG  62          2HH2      ARG  62  20.787   2.668   3.633
  494   2HH2  ARG  62          1HH2      ARG  62  22.469   3.086   3.722
  495    H    LEU  63           H        LEU  63  19.545  -3.106  -0.315
  496    HA   LEU  63           HA       LEU  63  21.604  -5.185  -0.587
  497   1HB   LEU  63          2HB       LEU  63  19.764  -5.852  -2.485
  498   2HB   LEU  63          1HB       LEU  63  19.860  -6.534  -0.876
  499    HG   LEU  63           HG       LEU  63  18.287  -4.182  -0.691
  500   1HD1  LEU  63          1HD1      LEU  63  17.832  -5.778  -3.149
  501   2HD1  LEU  63          2HD1      LEU  63  16.426  -5.222  -2.240
  502   3HD1  LEU  63          3HD1      LEU  63  17.598  -4.055  -2.852
  503   1HD2  LEU  63          1HD2      LEU  63  17.049  -5.549   0.563
  504   2HD2  LEU  63          2HD2      LEU  63  16.878  -6.732  -0.733
  505   3HD2  LEU  63          3HD2      LEU  63  18.319  -6.739   0.286
  506    H    GLY  64           H        GLY  64  19.658  -3.108  -2.771
  507   1HA   GLY  64          1HA       GLY  64  21.857  -3.225  -4.702
  508   2HA   GLY  64          2HA       GLY  64  20.240  -2.612  -5.013
  509    H    GLY  65           H        GLY  65  20.059  -0.935  -2.778
  510   1HA   GLY  65          1HA       GLY  65  20.213   1.391  -2.616
  511   2HA   GLY  65          2HA       GLY  65  21.726   0.860  -1.919
  512    H    SER  66           H        SER  66  20.764   0.990  -5.349
  513    HA   SER  66           HA       SER  66  23.186   2.179  -6.174
  514   1HB   SER  66          2HB       SER  66  20.823   2.632  -7.885
  515   2HB   SER  66          1HB       SER  66  22.371   1.879  -8.273
  516    HG   SER  66           HG       SER  66  21.662  -0.039  -7.503
  517    H    GLY  67           H        GLY  67  19.978   3.483  -5.492
  518   1HA   GLY  67          1HA       GLY  67  20.873   6.214  -5.977
  519   2HA   GLY  67          2HA       GLY  67  19.254   5.710  -5.508
  520    H    GLY  68           H        GLY  68  21.549   4.204  -3.606
  521   1HA   GLY  68          1HA       GLY  68  21.044   6.063  -1.386
  522   2HA   GLY  68          2HA       GLY  68  21.649   4.414  -1.228
  523    H    HIS  69           H        HIS  69  23.736   4.137  -2.635
  524    HA   HIS  69           HA       HIS  69  25.962   4.484  -2.784
  525   1HB   HIS  69          2HB       HIS  69  24.650   6.889  -3.749
  526   2HB   HIS  69          1HB       HIS  69  26.267   7.232  -3.138
  527    HD2  HIS  69           2HD      HIS  69  27.262   4.112  -4.283
  528    HE1  HIS  69           1HE      HIS  69  26.735   6.163  -7.947
  529    HE2  HIS  69           2HE      HIS  69  27.682   4.084  -6.847
  530    H    MET  70           H        MET  70  25.393   7.680  -1.383
  531    HA   MET  70           HA       MET  70  27.443   7.316   0.580
  532   1HB   MET  70          2HB       MET  70  25.332   9.444   0.756
  533   2HB   MET  70          1HB       MET  70  27.022   9.523   1.237
  534   1HG   MET  70          2HG       MET  70  27.747   9.704  -0.998
  535   2HG   MET  70          1HG       MET  70  26.161   9.262  -1.623
  536   1HE   MET  70          1HE       MET  70  24.457  10.438  -2.071
  537   2HE   MET  70          2HE       MET  70  24.029  12.095  -1.640
  538   3HE   MET  70          3HE       MET  70  25.109  11.787  -2.998
  539    H    GLY  71           H        GLY  71  23.905   7.702   0.800
  540   1HA   GLY  71          1HA       GLY  71  22.478   6.378   2.097
  541   2HA   GLY  71          2HA       GLY  71  23.873   5.730   2.943
  542    H    SER  72           H        SER  72  24.958   7.203   4.479
  543    HA   SER  72           HA       SER  72  22.997   8.362   6.209
  544   1HB   SER  72          2HB       SER  72  25.556   9.025   7.166
  545   2HB   SER  72          1HB       SER  72  24.551   7.666   7.673
  546    HG   SER  72           HG       SER  72  26.534   7.712   5.635
  547    H    GLY  73           H        GLY  73  22.334   9.968   4.524
  548   1HA   GLY  73          1HA       GLY  73  22.155  12.193   3.943
  549   2HA   GLY  73          2HA       GLY  73  23.394  12.554   5.140
  550    H    GLY  74           H        GLY  74  25.370  13.057   4.467
  551   1HA   GLY  74          1HA       GLY  74  25.999  12.632   1.608
  552   2HA   GLY  74          2HA       GLY  74  26.686  13.912   2.601
  553    H    ASP  75           H        ASP  75  26.741  11.716   4.790
  554    HA   ASP  75           HA       ASP  75  29.476  10.950   4.330
  555   1HB   ASP  75          2HB       ASP  75  28.796  11.502   6.588
  556   2HB   ASP  75          1HB       ASP  75  27.540  10.267   6.550
  557    H    VAL  76           H        VAL  76  30.097   9.246   3.239
  558    HA   VAL  76           HA       VAL  76  28.236   7.261   2.336
  559    HB   VAL  76           HB       VAL  76  31.209   6.952   2.085
  560   1HG1  VAL  76          1HG1      VAL  76  29.407   5.298   1.254
  561   2HG1  VAL  76          2HG1      VAL  76  29.134   6.482  -0.023
  562   3HG1  VAL  76          3HG1      VAL  76  30.721   5.737   0.164
  563   1HG2  VAL  76          1HG2      VAL  76  31.089   9.184   1.449
  564   2HG2  VAL  76          2HG2      VAL  76  30.886   8.331  -0.081
  565   3HG2  VAL  76          3HG2      VAL  76  29.482   9.002   0.749
  566    H    MET  77           H        MET  77  27.699   5.462   3.344
  567    HA   MET  77           HA       MET  77  28.680   4.791   5.887
  568   1HB   MET  77          2HB       MET  77  27.275   2.790   4.151
  569   2HB   MET  77          1HB       MET  77  27.145   3.030   5.886
  570   1HG   MET  77          2HG       MET  77  25.646   4.723   5.682
  571   2HG   MET  77          1HG       MET  77  26.263   5.234   4.118
  572   1HE   MET  77          1HE       MET  77  25.566   4.015   1.760
  573   2HE   MET  77          2HE       MET  77  26.397   2.642   2.494
  574   3HE   MET  77          3HE       MET  77  24.803   2.424   1.770
  575    H    VAL  78           H        VAL  78  29.637   2.749   6.553
  576    HA   VAL  78           HA       VAL  78  31.875   2.050   4.828
  577    HB   VAL  78           HB       VAL  78  31.779   0.635   7.372
  578   1HG1  VAL  78          1HG1      VAL  78  33.960   2.330   7.344
  579   2HG1  VAL  78          2HG1      VAL  78  33.919   0.666   6.760
  580   3HG1  VAL  78          3HG1      VAL  78  33.659   2.001   5.637
  581   1HG2  VAL  78          1HG2      VAL  78  32.452   3.009   8.461
  582   2HG2  VAL  78          2HG2      VAL  78  31.186   3.528   7.349
  583   3HG2  VAL  78          3HG2      VAL  78  30.838   2.307   8.574
  584    H    VAL  79           H        VAL  79  31.507  -0.541   6.807
  585    HA   VAL  79           HA       VAL  79  30.109  -2.053   4.694
  586    HB   VAL  79           HB       VAL  79  31.846  -3.457   6.672
  587   1HG1  VAL  79          1HG1      VAL  79  32.212  -4.964   4.834
  588   2HG1  VAL  79          2HG1      VAL  79  30.483  -4.639   4.956
  589   3HG1  VAL  79          3HG1      VAL  79  31.442  -3.847   3.707
  590   1HG2  VAL  79          1HG2      VAL  79  33.065  -1.387   5.770
  591   2HG2  VAL  79          2HG2      VAL  79  33.865  -2.950   5.599
  592   3HG2  VAL  79          3HG2      VAL  79  33.051  -2.220   4.214
  593    H    GLY  80           H        GLY  80  29.988  -1.096   7.948
  594   1HA   GLY  80          1HA       GLY  80  27.938  -3.138   8.537
  595   2HA   GLY  80          2HA       GLY  80  28.855  -2.262   9.759
  596    H    GLU  81           H        GLU  81  26.696  -1.660   7.023
  597    HA   GLU  81           HA       GLU  81  25.761   0.766   8.374
  598   1HB   GLU  81          2HB       GLU  81  24.758   0.840   5.799
  599   2HB   GLU  81          1HB       GLU  81  26.196   1.665   6.377
  600   1HG   GLU  81          2HG       GLU  81  26.795   0.533   4.392
  601   2HG   GLU  81          1HG       GLU  81  27.516  -0.359   5.731
  602    HA   PRO  82           HA       PRO  82  21.820  -1.425   8.644
  603   1HB   PRO  82          2HB       PRO  82  21.234  -0.669  11.137
  604   2HB   PRO  82          1HB       PRO  82  22.478  -1.885  10.828
  605   1HG   PRO  82          2HG       PRO  82  22.772   0.928  11.693
  606   2HG   PRO  82          1HG       PRO  82  23.860  -0.445  11.944
  607   1HD   PRO  82          2HD       PRO  82  24.012   1.606   9.927
  608   2HD   PRO  82          1HD       PRO  82  25.123   0.249  10.197
  609    H    THR  83           H        THR  83  19.872  -0.110  10.281
  610    HA   THR  83           HA       THR  83  18.987   2.041   8.552
  611    HB   THR  83           HB       THR  83  17.371   2.027  10.832
  612    HG1  THR  83           1HG      THR  83  17.502   0.095  11.674
  613   1HG2  THR  83          1HG2      THR  83  15.851   0.623   9.295
  614   2HG2  THR  83          2HG2      THR  83  17.154   0.770   8.115
  615   3HG2  THR  83          3HG2      THR  83  16.357   2.216   8.736
  616    H    LEU  84           H        LEU  84  20.680   3.533   8.885
  617    HA   LEU  84           HA       LEU  84  21.732   4.322  11.314
  618   1HB   LEU  84          2HB       LEU  84  21.478   6.194   8.979
  619   2HB   LEU  84          1HB       LEU  84  22.768   6.104  10.163
  620    HG   LEU  84           HG       LEU  84  22.569   3.603   8.755
  621   1HD1  LEU  84          1HD1      LEU  84  22.890   6.056   7.033
  622   2HD1  LEU  84          2HD1      LEU  84  23.218   4.398   6.524
  623   3HD1  LEU  84          3HD1      LEU  84  21.577   4.882   6.951
  624   1HD2  LEU  84          1HD2      LEU  84  24.738   5.694   8.678
  625   2HD2  LEU  84          2HD2      LEU  84  24.515   4.554  10.005
  626   3HD2  LEU  84          3HD2      LEU  84  24.900   3.961   8.392
  627    H    MET  85           H        MET  85  21.551   6.286  12.512
  628    HA   MET  85           HA       MET  85  18.911   7.046  13.197
  629   1HB   MET  85          2HB       MET  85  21.312   7.313  14.401
  630   2HB   MET  85          1HB       MET  85  21.087   8.948  13.794
  631   1HG   MET  85          2HG       MET  85  20.228   8.261  16.152
  632   2HG   MET  85          1HG       MET  85  19.301   9.363  15.142
  633   1HE   MET  85          1HE       MET  85  16.895   9.176  15.627
  634   2HE   MET  85          2HE       MET  85  16.123   7.744  16.303
  635   3HE   MET  85          3HE       MET  85  17.438   8.532  17.175
  636    H    GLY  86           H        GLY  86  21.398   8.458  11.151
  637   1HA   GLY  86          1HA       GLY  86  19.527  10.539  10.242
  638   2HA   GLY  86          2HA       GLY  86  21.245  10.461   9.861
  639    H    GLY  87           H        GLY  87  21.303  10.324   7.684
  640   1HA   GLY  87          1HA       GLY  87  20.998   9.471   5.573
  641   2HA   GLY  87          2HA       GLY  87  20.912   7.918   6.390
  642    H    GLU  88           H        GLU  88  18.771  10.768   6.118
  643    HA   GLU  88           HA       GLU  88  16.473   9.050   6.054
  644   1HB   GLU  88          2HB       GLU  88  16.970  11.970   6.111
  645   2HB   GLU  88          1HB       GLU  88  15.438  11.434   5.427
  646   1HG   GLU  88          2HG       GLU  88  16.089  10.091   7.913
  647   2HG   GLU  88          1HG       GLU  88  15.984  11.838   8.080
  648    H    PHE  89           H        PHE  89  16.919   7.796   4.189
  649    HA   PHE  89           HA       PHE  89  17.356   8.891   1.631
  650   1HB   PHE  89          2HB       PHE  89  15.935   6.291   1.796
  651   2HB   PHE  89          1HB       PHE  89  17.353   6.739   0.854
  652    HD1  PHE  89           1HD      PHE  89  16.170   5.020   3.752
  653    HD2  PHE  89           2HD      PHE  89  19.568   7.002   2.116
  654    HE1  PHE  89           1HE      PHE  89  17.618   3.860   5.354
  655    HE2  PHE  89           2HE      PHE  89  21.018   5.852   3.738
  656    HZ   PHE  89           HZ       PHE  89  20.045   4.270   5.351
  657    H    GLY  90           H        GLY  90  15.887   8.781  -0.211
  658   1HA   GLY  90          1HA       GLY  90  13.130   9.450   0.606
  659   2HA   GLY  90          2HA       GLY  90  13.950  10.154  -0.783
  660    H    ASP  91           H        ASP  91  13.277   9.378  -2.653
  661    HA   ASP  91           HA       ASP  91  12.848   6.542  -2.990
  662   1HB   ASP  91          2HB       ASP  91  10.626   7.098  -4.090
  663   2HB   ASP  91          1HB       ASP  91  10.673   7.181  -2.339
  664    H    GLU  92           H        GLU  92  11.270   8.364  -5.272
  665    HA   GLU  92           HA       GLU  92  13.362   9.323  -6.861
  666   1HB   GLU  92          2HB       GLU  92  13.038   7.720  -8.820
  667   2HB   GLU  92          1HB       GLU  92  13.984   7.114  -7.470
  668   1HG   GLU  92          2HG       GLU  92  12.098   5.839  -6.670
  669   2HG   GLU  92          1HG       GLU  92  11.075   6.510  -7.939
  670    H    ASP  93           H        ASP  93  10.225   7.713  -7.162
  671    HA   ASP  93           HA       ASP  93   9.035  10.247  -7.940
  672   1HB   ASP  93          2HB       ASP  93   9.599   8.777 -10.017
  673   2HB   ASP  93          1HB       ASP  93   8.224   7.809  -9.490
  674    H    GLU  94           H        GLU  94   8.587   6.847  -7.113
  675    HA   GLU  94           HA       GLU  94   7.240   5.784  -5.659
  676   1HB   GLU  94          2HB       GLU  94   6.893   6.819  -3.705
  677   2HB   GLU  94          1HB       GLU  94   7.673   8.206  -4.445
  678   1HG   GLU  94          2HG       GLU  94   5.690   9.319  -4.778
  679   2HG   GLU  94          1HG       GLU  94   4.733   7.839  -4.759
  680    H    ARG  95           H        ARG  95   4.950   5.309  -5.154
  681    HA   ARG  95           HA       ARG  95   3.224   6.244  -7.353
  682   1HB   ARG  95          2HB       ARG  95   4.170   3.769  -7.228
  683   2HB   ARG  95          1HB       ARG  95   2.810   3.556  -6.132
  684   1HG   ARG  95          2HG       ARG  95   1.533   3.211  -7.909
  685   2HG   ARG  95          1HG       ARG  95   1.766   4.908  -8.338
  686   1HD   ARG  95          2HD       ARG  95   3.702   2.746  -9.125
  687   2HD   ARG  95          1HD       ARG  95   2.323   3.199 -10.127
  688    HE   ARG  95           HE       ARG  95   3.431   5.558  -9.853
  689   1HH1  ARG  95          2HH1      ARG  95   5.029   2.478 -10.374
  690   2HH1  ARG  95          1HH1      ARG  95   6.389   3.180 -11.205
  691   1HH2  ARG  95          2HH2      ARG  95   5.221   6.481 -10.938
  692   2HH2  ARG  95          1HH2      ARG  95   6.484   5.450 -11.543
  693    H    LEU  96           H        LEU  96   3.566   5.877  -3.987
  694    HA   LEU  96           HA       LEU  96   2.231   6.295  -2.199
  695   1HB   LEU  96          2HB       LEU  96   0.486   7.618  -4.276
  696   2HB   LEU  96          1HB       LEU  96   0.197   7.704  -2.550
  697    HG   LEU  96           HG       LEU  96   2.839   8.547  -2.868
  698   1HD1  LEU  96          1HD1      LEU  96   1.085   9.445  -5.114
  699   2HD1  LEU  96          2HD1      LEU  96   2.332  10.513  -4.469
  700   3HD1  LEU  96          3HD1      LEU  96   2.776   8.944  -5.145
  701   1HD2  LEU  96          1HD2      LEU  96   1.202   9.383  -1.256
  702   2HD2  LEU  96          2HD2      LEU  96   1.951  10.700  -2.157
  703   3HD2  LEU  96          3HD2      LEU  96   0.318  10.171  -2.564
  704    H    ILE  97           H        ILE  97  -0.439   6.190  -1.714
  705    HA   ILE  97           HA       ILE  97  -1.668   4.006  -3.091
  706    HB   ILE  97           HB       ILE  97  -2.065   3.089  -0.521
  707   1HG1  ILE  97          2HG1      ILE  97   0.898   3.099  -0.802
  708   2HG1  ILE  97          1HG1      ILE  97   0.122   4.531  -0.136
  709   1HG2  ILE  97          1HG2      ILE  97  -2.023   1.576  -2.278
  710   2HG2  ILE  97          2HG2      ILE  97  -0.435   2.119  -2.830
  711   3HG2  ILE  97          3HG2      ILE  97  -0.574   1.174  -1.348
  712   1HD1  ILE  97          1HD1      ILE  97   0.041   1.729   0.940
  713   2HD1  ILE  97          2HD1      ILE  97   0.772   3.153   1.678
  714   3HD1  ILE  97          3HD1      ILE  97  -0.982   3.036   1.539
  715    H    THR  98           H        THR  98  -3.830   4.138  -2.958
  716    HA   THR  98           HA       THR  98  -4.917   5.953  -0.938
  717    HB   THR  98           HB       THR  98  -5.083   6.126  -3.797
  718    HG1  THR  98           1HG      THR  98  -5.730   7.627  -1.531
  719   1HG2  THR  98          1HG2      THR  98  -7.157   4.701  -3.342
  720   2HG2  THR  98          2HG2      THR  98  -7.375   6.192  -4.259
  721   3HG2  THR  98          3HG2      THR  98  -7.816   6.134  -2.552
  722    H    ARG  99           H        ARG  99  -6.418   5.104   0.326
  723    HA   ARG  99           HA       ARG  99  -7.138   2.329  -0.011
  724   1HB   ARG  99          2HB       ARG  99  -8.444   4.042   2.051
  725   2HB   ARG  99          1HB       ARG  99  -7.880   2.382   2.168
  726   1HG   ARG  99          2HG       ARG  99  -5.703   4.254   1.768
  727   2HG   ARG  99          1HG       ARG  99  -6.652   4.615   3.212
  728   1HD   ARG  99          2HD       ARG  99  -5.230   2.058   2.515
  729   2HD   ARG  99          1HD       ARG  99  -4.920   3.136   3.874
  730    HE   ARG  99           HE       ARG  99  -7.130   1.211   3.619
  731   1HH1  ARG  99          2HH1      ARG  99  -5.537   3.713   5.482
  732   2HH1  ARG  99          1HH1      ARG  99  -6.258   3.234   6.987
  733   1HH2  ARG  99          2HH2      ARG  99  -8.080   0.572   5.564
  734   2HH2  ARG  99          1HH2      ARG  99  -7.697   1.426   7.037
  735    H    LEU 100           H        LEU 100  -8.559   1.971  -1.591
  736    HA   LEU 100           HA       LEU 100 -10.596   3.944  -2.144
  737   1HB   LEU 100          2HB       LEU 100  -9.177   2.360  -3.772
  738   2HB   LEU 100          1HB       LEU 100 -10.622   1.381  -3.604
  739    HG   LEU 100           HG       LEU 100 -11.581   3.942  -4.123
  740   1HD1  LEU 100          1HD1      LEU 100  -9.410   3.381  -6.117
  741   2HD1  LEU 100          2HD1      LEU 100 -10.395   4.833  -5.935
  742   3HD1  LEU 100          3HD1      LEU 100  -9.162   4.448  -4.733
  743   1HD2  LEU 100          1HD2      LEU 100 -11.704   2.755  -6.540
  744   2HD2  LEU 100          2HD2      LEU 100 -11.380   1.357  -5.515
  745   3HD2  LEU 100          3HD2      LEU 100 -12.785   2.376  -5.199
  746    H    GLU 101           H        GLU 101 -12.753   3.214  -2.652
  747    HA   GLU 101           HA       GLU 101 -13.762   1.485  -0.507
  748   1HB   GLU 101          2HB       GLU 101 -15.782   2.964  -1.984
  749   2HB   GLU 101          1HB       GLU 101 -15.457   2.941  -0.255
  750   1HG   GLU 101          2HG       GLU 101 -13.474   4.435  -1.772
  751   2HG   GLU 101          1HG       GLU 101 -15.106   5.076  -1.944
  752    H    ASN 102           H        ASN 102 -14.625  -0.421  -1.011
  753    HA   ASN 102           HA       ASN 102 -14.640  -1.190  -3.807
  754   1HB   ASN 102          2HB       ASN 102 -13.697  -2.528  -1.760
  755   2HB   ASN 102          1HB       ASN 102 -15.370  -3.048  -1.571
  756   1HD2  ASN 102          1HD2      ASN 102 -14.052  -5.098  -1.936
  757   2HD2  ASN 102          2HD2      ASN 102 -13.971  -5.668  -3.575
  758    H    THR 103           H        THR 103 -16.464  -2.949  -4.254
  759    HA   THR 103           HA       THR 103 -18.813  -1.624  -4.757
  760    HB   THR 103           HB       THR 103 -18.428  -4.593  -4.359
  761    HG1  THR 103           1HG      THR 103 -17.767  -2.788  -6.380
  762   1HG2  THR 103          1HG2      THR 103 -20.762  -4.156  -4.388
  763   2HG2  THR 103          2HG2      THR 103 -20.329  -4.743  -5.992
  764   3HG2  THR 103          3HG2      THR 103 -20.600  -3.021  -5.730
  765    H    GLN 104           H        GLN 104 -18.242  -3.943  -2.126
  766    HA   GLN 104           HA       GLN 104 -20.699  -3.972  -0.943
  767   1HB   GLN 104          2HB       GLN 104 -17.930  -4.331   0.073
  768   2HB   GLN 104          1HB       GLN 104 -19.218  -4.183   1.262
  769   1HG   GLN 104          2HG       GLN 104 -20.283  -5.989  -0.461
  770   2HG   GLN 104          1HG       GLN 104 -18.567  -6.384  -0.554
  771   1HE2  GLN 104          1HE2      GLN 104 -17.818  -7.726   0.903
  772   2HE2  GLN 104          2HE2      GLN 104 -18.553  -8.084   2.439
  773    H    PHE 105           H        PHE 105 -18.181  -1.523  -0.456
  774    HA   PHE 105           HA       PHE 105 -20.218   0.203   0.740
  775   1HB   PHE 105          2HB       PHE 105 -18.392  -1.019   2.349
  776   2HB   PHE 105          1HB       PHE 105 -17.547   0.468   1.951
  777    HD1  PHE 105           1HD      PHE 105 -20.027   2.239   1.726
  778    HD2  PHE 105           2HD      PHE 105 -18.770  -0.614   4.630
  779    HE1  PHE 105           1HE      PHE 105 -21.318   3.428   3.452
  780    HE2  PHE 105           2HE      PHE 105 -20.058   0.574   6.358
  781    HZ   PHE 105           HZ       PHE 105 -21.337   2.594   5.768
  782    H    ASP 106           H        ASP 106 -20.255   1.317  -1.207
  783    HA   ASP 106           HA       ASP 106 -17.782   2.697  -1.989
  784   1HB   ASP 106          2HB       ASP 106 -19.191   1.414  -3.697
  785   2HB   ASP 106          1HB       ASP 106 -20.388   2.682  -3.520
  786    H    ALA 107           H        ALA 107 -20.500   4.256  -3.105
  787    HA   ALA 107           HA       ALA 107 -21.535   6.214  -2.662
  788   1HB   ALA 107          1HB       ALA 107 -22.677   5.560  -0.827
  789   2HB   ALA 107          2HB       ALA 107 -21.226   5.033   0.024
  790   3HB   ALA 107          3HB       ALA 107 -21.626   6.747  -0.055
  791    H    ALA 108           H        ALA 108 -18.642   6.148  -3.113
  792    HA   ALA 108           HA       ALA 108 -17.840   8.571  -1.634
  793   1HB   ALA 108          1HB       ALA 108 -15.798   7.716  -1.459
  794   2HB   ALA 108          2HB       ALA 108 -16.433   6.211  -2.123
  795   3HB   ALA 108          3HB       ALA 108 -15.714   7.414  -3.194
  796    H    ASN 109           H        ASN 109 -16.678   7.347  -4.741
  797    HA   ASN 109           HA       ASN 109 -17.076   9.970  -5.939
  798   1HB   ASN 109          2HB       ASN 109 -15.070   8.291  -6.302
  799   2HB   ASN 109          1HB       ASN 109 -16.154   7.580  -7.492
  800   1HD2  ASN 109          1HD2      ASN 109 -13.590   9.329  -7.439
  801   2HD2  ASN 109          2HD2      ASN 109 -13.911  10.511  -8.668
  802    H    GLY 110           H        GLY 110 -18.384   6.735  -6.020
  803   1HA   GLY 110          1HA       GLY 110 -20.417   7.615  -7.965
  804   2HA   GLY 110          2HA       GLY 110 -20.021   5.938  -7.610
  805    H    ILE 111           H        ILE 111 -22.616   6.599  -7.544
  806    HA   ILE 111           HA       ILE 111 -23.324   7.160  -4.763
  807    HB   ILE 111           HB       ILE 111 -25.415   6.463  -6.762
  808   1HG1  ILE 111          2HG1      ILE 111 -23.786   7.994  -7.948
  809   2HG1  ILE 111          1HG1      ILE 111 -25.427   8.615  -7.809
  810   1HG2  ILE 111          1HG2      ILE 111 -26.333   8.618  -5.498
  811   2HG2  ILE 111          2HG2      ILE 111 -26.434   7.000  -4.807
  812   3HG2  ILE 111          3HG2      ILE 111 -25.147   8.095  -4.305
  813   1HD1  ILE 111          1HD1      ILE 111 -23.568  10.259  -7.381
  814   2HD1  ILE 111          2HD1      ILE 111 -24.803  10.146  -6.126
  815   3HD1  ILE 111          3HD1      ILE 111 -23.240   9.367  -5.896
  816    H    ASP 112           H        ASP 112 -21.952   5.001  -4.691
  817    HA   ASP 112           HA       ASP 112 -21.946   2.883  -3.861
  818   1HB   ASP 112          2HB       ASP 112 -23.964   3.148  -2.633
  819   2HB   ASP 112          1HB       ASP 112 -24.938   3.121  -4.098
  820    H    ASP 113           H        ASP 113 -24.378   3.090  -6.384
  821    HA   ASP 113           HA       ASP 113 -23.329   0.723  -7.702
  822   1HB   ASP 113          2HB       ASP 113 -25.770   1.107  -7.592
  823   2HB   ASP 113          1HB       ASP 113 -25.568   2.584  -8.529
  824    H    GLU 114           H        GLU 114 -21.292   1.357  -8.370
  825    HA   GLU 114           HA       GLU 114 -21.273   3.251 -10.619
  826   1HB   GLU 114          2HB       GLU 114 -20.204   4.096  -8.424
  827   2HB   GLU 114          1HB       GLU 114 -18.936   2.924  -8.742
  828   1HG   GLU 114          2HG       GLU 114 -18.349   5.187  -9.477
  829   2HG   GLU 114          1HG       GLU 114 -18.365   4.029 -10.803
  Start of MODEL    7
    1   1H    GLY   1          1H        GLY   1 -20.294  -7.450 -11.965
    2   2H    GLY   1          2H        GLY   1 -19.884  -7.288 -13.602
    3   3H    GLY   1          3H        GLY   1 -18.716  -7.019 -12.404
    4   1HA   GLY   1          2HA       GLY   1 -20.043  -9.631 -12.549
    5   2HA   GLY   1          1HA       GLY   1 -18.766  -9.257 -13.698
    6    H    SER   2           H        SER   2 -16.651  -8.848 -12.923
    7    HA   SER   2           HA       SER   2 -16.092 -10.272 -10.443
    8   1HB   SER   2          2HB       SER   2 -13.990  -9.153 -12.271
    9   2HB   SER   2          1HB       SER   2 -13.940 -10.609 -11.277
   10    HG   SER   2           HG       SER   2 -15.636 -11.430 -12.729
   11    H    LEU   3           H        LEU   3 -15.260  -9.351  -8.636
   12    HA   LEU   3           HA       LEU   3 -15.592  -6.541  -8.326
   13   1HB   LEU   3          2HB       LEU   3 -14.390  -8.591  -6.460
   14   2HB   LEU   3          1HB       LEU   3 -14.777  -6.940  -6.013
   15    HG   LEU   3           HG       LEU   3 -16.951  -8.660  -7.117
   16   1HD1  LEU   3          1HD1      LEU   3 -15.877 -10.092  -5.471
   17   2HD1  LEU   3          2HD1      LEU   3 -15.948  -8.796  -4.277
   18   3HD1  LEU   3          3HD1      LEU   3 -17.438  -9.520  -4.883
   19   1HD2  LEU   3          1HD2      LEU   3 -18.315  -7.112  -6.230
   20   2HD2  LEU   3          2HD2      LEU   3 -17.336  -6.928  -4.774
   21   3HD2  LEU   3          3HD2      LEU   3 -16.872  -6.099  -6.259
   22    H    LEU   4           H        LEU   4 -12.813  -7.659  -6.659
   23    HA   LEU   4           HA       LEU   4 -11.032  -6.251  -8.523
   24   1HB   LEU   4          2HB       LEU   4 -10.779  -5.965  -5.545
   25   2HB   LEU   4          1HB       LEU   4 -10.036  -4.996  -6.804
   26    HG   LEU   4           HG       LEU   4 -12.937  -4.857  -6.891
   27   1HD1  LEU   4          1HD1      LEU   4 -11.511  -4.019  -4.376
   28   2HD1  LEU   4          2HD1      LEU   4 -13.121  -3.472  -4.839
   29   3HD1  LEU   4          3HD1      LEU   4 -12.828  -5.181  -4.522
   30   1HD2  LEU   4          1HD2      LEU   4 -12.487  -2.766  -7.583
   31   2HD2  LEU   4          2HD2      LEU   4 -11.320  -2.480  -6.291
   32   3HD2  LEU   4          3HD2      LEU   4 -10.835  -3.366  -7.737
   33    H    THR   5           H        THR   5  -8.740  -6.749  -8.158
   34    HA   THR   5           HA       THR   5  -8.270  -9.249  -6.704
   35    HB   THR   5           HB       THR   5  -6.632  -9.679  -8.790
   36    HG1  THR   5           1HG      THR   5  -8.961  -8.717 -10.092
   37   1HG2  THR   5          1HG2      THR   5  -9.196 -10.678  -9.571
   38   2HG2  THR   5          2HG2      THR   5  -9.059 -10.744  -7.814
   39   3HG2  THR   5          3HG2      THR   5  -7.853 -11.543  -8.824
   40    H    CYS   6           H        CYS   6  -6.338  -9.311  -5.659
   41    HA   CYS   6           HA       CYS   6  -4.802  -6.851  -5.696
   42   1HB   CYS   6          2HB       CYS   6  -5.075  -7.288  -3.498
   43   2HB   CYS   6          1HB       CYS   6  -5.364  -9.001  -3.774
   44    H    GLY   7           H        GLY   7  -2.560  -6.786  -5.942
   45   1HA   GLY   7          1HA       GLY   7  -1.595  -8.333  -8.084
   46   2HA   GLY   7          2HA       GLY   7  -0.632  -7.242  -7.102
   47    H    GLY   8           H        GLY   8  -1.630  -8.978  -4.734
   48   1HA   GLY   8          1HA       GLY   8   0.417 -11.079  -5.094
   49   2HA   GLY   8          2HA       GLY   8  -0.036 -10.374  -3.545
   50    H    CYS   9           H        CYS   9  -2.917 -10.552  -4.833
   51    HA   CYS   9           HA       CYS   9  -3.373 -13.393  -4.582
   52   1HB   CYS   9          2HB       CYS   9  -5.227 -11.676  -3.005
   53   2HB   CYS   9          1HB       CYS   9  -4.804 -13.371  -2.788
   54    H    GLN  10           H        GLN  10  -3.890 -13.313  -6.686
   55    HA   GLN  10           HA       GLN  10  -6.022 -11.684  -7.719
   56   1HB   GLN  10          2HB       GLN  10  -3.971 -13.059  -8.857
   57   2HB   GLN  10          1HB       GLN  10  -5.304 -14.165  -9.133
   58   1HG   GLN  10          2HG       GLN  10  -6.519 -12.037 -10.022
   59   2HG   GLN  10          1HG       GLN  10  -4.877 -11.413 -10.187
   60   1HE2  GLN  10          1HE2      GLN  10  -3.481 -13.603 -10.952
   61   2HE2  GLN  10          2HE2      GLN  10  -4.053 -14.171 -12.496
   62    H    GLN  11           H        GLN  11  -6.316 -13.606  -5.372
   63    HA   GLN  11           HA       GLN  11  -8.320 -15.502  -6.205
   64   1HB   GLN  11          2HB       GLN  11  -8.359 -16.204  -3.955
   65   2HB   GLN  11          1HB       GLN  11  -6.685 -15.768  -4.253
   66   1HG   GLN  11          2HG       GLN  11  -6.710 -14.226  -2.656
   67   2HG   GLN  11          1HG       GLN  11  -8.209 -13.519  -3.261
   68   1HE2  GLN  11          1HE2      GLN  11  -7.303 -14.045  -0.514
   69   2HE2  GLN  11          2HE2      GLN  11  -8.537 -15.038   0.201
   70    H    ASN  12           H        ASN  12  -8.320 -12.313  -6.056
   71    HA   ASN  12           HA       ASN  12  -9.972 -10.772  -6.264
   72   1HB   ASN  12          2HB       ASN  12 -11.451 -12.894  -6.779
   73   2HB   ASN  12          1HB       ASN  12 -12.096 -12.568  -5.172
   74   1HD2  ASN  12          1HD2      ASN  12 -12.011 -11.625  -8.455
   75   2HD2  ASN  12          2HD2      ASN  12 -13.127 -10.302  -8.333
   76    H    ILE  13           H        ILE  13 -10.385  -9.163  -4.941
   77    HA   ILE  13           HA       ILE  13  -9.950  -9.522  -2.102
   78    HB   ILE  13           HB       ILE  13 -10.680  -6.981  -3.537
   79   1HG1  ILE  13          2HG1      ILE  13  -7.863  -7.655  -2.821
   80   2HG1  ILE  13          1HG1      ILE  13  -8.548  -8.366  -4.276
   81   1HG2  ILE  13          1HG2      ILE  13 -10.604  -6.052  -1.526
   82   2HG2  ILE  13          2HG2      ILE  13 -10.242  -7.621  -0.805
   83   3HG2  ILE  13          3HG2      ILE  13  -8.928  -6.577  -1.349
   84   1HD1  ILE  13          1HD1      ILE  13  -8.662  -6.368  -5.366
   85   2HD1  ILE  13          2HD1      ILE  13  -8.812  -5.439  -3.871
   86   3HD1  ILE  13          3HD1      ILE  13  -7.245  -6.100  -4.347
   87    H    GLY  14           H        GLY  14 -11.560 -10.161  -0.856
   88   1HA   GLY  14          1HA       GLY  14 -14.311  -9.379  -1.601
   89   2HA   GLY  14          2HA       GLY  14 -13.878 -10.850  -0.732
   90    H    ASP  15           H        ASP  15 -12.077  -8.230   0.335
   91    HA   ASP  15           HA       ASP  15 -13.569  -8.177   2.819
   92   1HB   ASP  15          2HB       ASP  15 -10.986  -6.810   2.037
   93   2HB   ASP  15          1HB       ASP  15 -11.707  -6.753   3.643
   94    H    ARG  16           H        ARG  16 -13.619  -5.852   3.875
   95    HA   ARG  16           HA       ARG  16 -15.446  -4.424   2.167
   96   1HB   ARG  16          2HB       ARG  16 -16.380  -3.639   4.067
   97   2HB   ARG  16          1HB       ARG  16 -15.448  -4.922   4.822
   98   1HG   ARG  16          2HG       ARG  16 -14.354  -3.446   6.054
   99   2HG   ARG  16          1HG       ARG  16 -13.820  -2.582   4.612
  100   1HD   ARG  16          2HD       ARG  16 -15.403  -0.988   4.823
  101   2HD   ARG  16          1HD       ARG  16 -16.626  -2.134   5.371
  102    HE   ARG  16           HE       ARG  16 -14.729  -1.829   7.410
  103   1HH1  ARG  16          2HH1      ARG  16 -17.192   0.085   5.792
  104   2HH1  ARG  16          1HH1      ARG  16 -17.505   1.077   7.181
  105   1HH2  ARG  16          2HH2      ARG  16 -15.166  -0.540   9.229
  106   2HH2  ARG  16          1HH2      ARG  16 -16.392   0.686   9.152
  107    H    TYR  17           H        TYR  17 -12.187  -3.951   3.326
  108    HA   TYR  17           HA       TYR  17 -12.104  -1.423   1.815
  109   1HB   TYR  17          2HB       TYR  17 -11.951  -1.543   4.567
  110   2HB   TYR  17          1HB       TYR  17 -10.261  -1.578   4.096
  111    HD1  TYR  17           1HD      TYR  17 -13.407   0.331   3.566
  112    HD2  TYR  17           2HD      TYR  17  -9.156   0.419   3.599
  113    HE1  TYR  17           1HE      TYR  17 -13.465   2.774   3.297
  114    HE2  TYR  17           2HE      TYR  17  -9.203   2.860   3.327
  115    HH   TYR  17           HH       TYR  17 -11.823   4.560   2.328
  116    H    PHE  18           H        PHE  18 -10.005  -0.941   0.907
  117    HA   PHE  18           HA       PHE  18  -7.884  -2.849   1.168
  118   1HB   PHE  18          2HB       PHE  18  -7.841  -3.722  -1.046
  119   2HB   PHE  18          1HB       PHE  18  -9.459  -3.976  -0.422
  120    HD1  PHE  18           1HD      PHE  18 -11.132  -1.918  -1.010
  121    HD2  PHE  18           2HD      PHE  18  -7.656  -3.038  -3.199
  122    HE1  PHE  18           1HE      PHE  18 -12.063  -0.869  -3.025
  123    HE2  PHE  18           2HE      PHE  18  -8.580  -1.978  -5.214
  124    HZ   PHE  18           HZ       PHE  18 -10.789  -0.895  -5.129
  125    H    LEU  19           H        LEU  19  -6.148  -2.368  -0.532
  126    HA   LEU  19           HA       LEU  19  -5.959   0.551  -0.908
  127   1HB   LEU  19          2HB       LEU  19  -4.046  -1.431   0.208
  128   2HB   LEU  19          1HB       LEU  19  -3.377  -0.200  -0.842
  129    HG   LEU  19           HG       LEU  19  -5.068   0.472   1.558
  130   1HD1  LEU  19          1HD1      LEU  19  -2.968   0.909   2.746
  131   2HD1  LEU  19          2HD1      LEU  19  -3.148  -0.795   2.334
  132   3HD1  LEU  19          3HD1      LEU  19  -2.069   0.231   1.392
  133   1HD2  LEU  19          1HD2      LEU  19  -3.463   1.979  -0.431
  134   2HD2  LEU  19          2HD2      LEU  19  -4.988   2.401   0.357
  135   3HD2  LEU  19          3HD2      LEU  19  -3.468   2.557   1.238
  136    H    LYS  20           H        LYS  20  -5.329   1.221  -2.932
  137    HA   LYS  20           HA       LYS  20  -4.103  -0.568  -4.811
  138   1HB   LYS  20          2HB       LYS  20  -5.945  -1.431  -5.761
  139   2HB   LYS  20          1HB       LYS  20  -6.958  -0.540  -4.639
  140   1HG   LYS  20          2HG       LYS  20  -6.086   1.236  -6.684
  141   2HG   LYS  20          1HG       LYS  20  -6.725  -0.212  -7.432
  142   1HD   LYS  20          2HD       LYS  20  -8.817   0.042  -6.343
  143   2HD   LYS  20          1HD       LYS  20  -8.178   1.287  -5.267
  144   1HE   LYS  20          2HE       LYS  20  -9.050   2.740  -6.722
  145   2HE   LYS  20          1HE       LYS  20  -7.664   2.342  -7.735
  146   1HZ   LYS  20          1HZ       LYS  20  -8.919   1.056  -9.112
  147   2HZ   LYS  20          2HZ       LYS  20 -10.099   2.177  -8.640
  148   3HZ   LYS  20          3HZ       LYS  20 -10.052   0.649  -7.912
  149    H    ALA  21           H        ALA  21  -3.502   0.584  -6.810
  150    HA   ALA  21           HA       ALA  21  -4.475   2.812  -7.870
  151   1HB   ALA  21          1HB       ALA  21  -4.353   4.352  -6.214
  152   2HB   ALA  21          2HB       ALA  21  -2.891   3.659  -5.514
  153   3HB   ALA  21          3HB       ALA  21  -2.790   4.634  -6.981
  154    H    ILE  22           H        ILE  22  -1.515   1.200  -7.025
  155    HA   ILE  22           HA       ILE  22   0.355   2.412  -8.583
  156    HB   ILE  22           HB       ILE  22   0.012  -0.550  -8.091
  157   1HG1  ILE  22          2HG1      ILE  22   1.779   1.505  -6.746
  158   2HG1  ILE  22          1HG1      ILE  22   0.271   0.886  -6.087
  159   1HG2  ILE  22          1HG2      ILE  22   1.693  -0.953  -9.470
  160   2HG2  ILE  22          2HG2      ILE  22   1.835   0.774  -9.836
  161   3HG2  ILE  22          3HG2      ILE  22   2.732   0.088  -8.475
  162   1HD1  ILE  22          1HD1      ILE  22   1.581  -1.422  -6.492
  163   2HD1  ILE  22          2HD1      ILE  22   2.941  -0.340  -6.197
  164   3HD1  ILE  22          3HD1      ILE  22   1.664  -0.497  -4.992
  165    H    ASP  23           H        ASP  23  -2.127   0.203  -9.603
  166    HA   ASP  23           HA       ASP  23  -2.631   1.129 -12.093
  167   1HB   ASP  23          2HB       ASP  23  -0.193   0.396 -12.557
  168   2HB   ASP  23          1HB       ASP  23  -0.801  -1.252 -12.455
  169    H    GLN  24           H        GLN  24  -2.415  -1.272  -9.794
  170    HA   GLN  24           HA       GLN  24  -4.722  -2.737 -10.870
  171   1HB   GLN  24          2HB       GLN  24  -3.749  -4.798 -10.037
  172   2HB   GLN  24          1HB       GLN  24  -2.591  -4.011 -11.097
  173   1HG   GLN  24          2HG       GLN  24  -2.529  -4.006  -8.084
  174   2HG   GLN  24          1HG       GLN  24  -1.502  -4.962  -9.144
  175   1HE2  GLN  24          1HE2      GLN  24   0.290  -3.990 -10.091
  176   2HE2  GLN  24          2HE2      GLN  24   0.785  -2.370  -9.733
  177    H    TYR  25           H        TYR  25  -5.084  -4.382  -8.655
  178    HA   TYR  25           HA       TYR  25  -5.646  -2.434  -6.521
  179   1HB   TYR  25          2HB       TYR  25  -7.147  -5.026  -6.796
  180   2HB   TYR  25          1HB       TYR  25  -7.616  -3.563  -5.936
  181    HD1  TYR  25           1HD      TYR  25  -7.668  -1.430  -7.673
  182    HD2  TYR  25           2HD      TYR  25  -8.441  -5.499  -8.623
  183    HE1  TYR  25           1HE      TYR  25  -8.999  -0.716  -9.612
  184    HE2  TYR  25           2HE      TYR  25  -9.767  -4.799 -10.576
  185    HH   TYR  25           HH       TYR  25  -9.688  -2.475 -12.117
  186    H    TRP  26           H        TRP  26  -5.555  -3.338  -4.328
  187    HA   TRP  26           HA       TRP  26  -3.896  -5.739  -4.083
  188   1HB   TRP  26          2HB       TRP  26  -3.313  -3.151  -2.623
  189   2HB   TRP  26          1HB       TRP  26  -2.422  -4.658  -2.473
  190    HD1  TRP  26           HD       TRP  26  -2.831  -1.636  -4.745
  191    HE1  TRP  26           1HE      TRP  26  -0.926  -1.629  -6.470
  192    HE3  TRP  26           3HE      TRP  26  -0.841  -6.228  -3.736
  193    HZ2  TRP  26           2HZ      TRP  26   1.166  -3.353  -7.281
  194    HZ3  TRP  26           3HZ      TRP  26   1.101  -6.987  -5.032
  195    HH2  TRP  26           HH       TRP  26   2.086  -5.573  -6.771
  196    H    HIS  27           H        HIS  27  -3.514  -5.808  -1.509
  197    HA   HIS  27           HA       HIS  27  -6.150  -5.578  -0.218
  198   1HB   HIS  27          2HB       HIS  27  -3.894  -7.537   0.237
  199   2HB   HIS  27          1HB       HIS  27  -5.032  -7.164   1.521
  200    HD2  HIS  27           2HD      HIS  27  -7.833  -7.660   0.581
  201    HE1  HIS  27           1HE      HIS  27  -6.432 -10.949  -1.712
  202    HE2  HIS  27           2HE      HIS  27  -8.435  -9.961  -0.476
  203    H    GLU  28           H        GLU  28  -6.073  -4.613   1.918
  204    HA   GLU  28           HA       GLU  28  -4.475  -2.368   2.061
  205   1HB   GLU  28          2HB       GLU  28  -6.300  -3.810   3.869
  206   2HB   GLU  28          1HB       GLU  28  -5.165  -2.725   4.650
  207   1HG   GLU  28          2HG       GLU  28  -6.286  -1.392   2.408
  208   2HG   GLU  28          1HG       GLU  28  -7.588  -2.104   3.358
  209    H    ASP  29           H        ASP  29  -4.101  -5.404   3.895
  210    HA   ASP  29           HA       ASP  29  -1.508  -4.488   4.865
  211   1HB   ASP  29          2HB       ASP  29  -3.464  -5.921   6.082
  212   2HB   ASP  29          1HB       ASP  29  -2.411  -7.221   5.532
  213    H    CYS  30           H        CYS  30  -2.252  -5.518   2.019
  214    HA   CYS  30           HA       CYS  30  -0.334  -7.704   1.807
  215   1HB   CYS  30          2HB       CYS  30  -2.577  -6.743   0.201
  216   2HB   CYS  30          1HB       CYS  30  -1.158  -7.189  -0.746
  217    H    LEU  31           H        LEU  31  -0.771  -4.383   0.830
  218    HA   LEU  31           HA       LEU  31   1.687  -4.249  -0.646
  219   1HB   LEU  31          2HB       LEU  31  -0.517  -2.451   0.043
  220   2HB   LEU  31          1HB       LEU  31   1.047  -1.663   0.066
  221    HG   LEU  31           HG       LEU  31  -0.211  -3.108  -2.263
  222   1HD1  LEU  31          1HD1      LEU  31   0.675  -0.359  -2.603
  223   2HD1  LEU  31          2HD1      LEU  31  -0.860  -1.119  -3.022
  224   3HD1  LEU  31          3HD1      LEU  31  -0.583  -0.537  -1.381
  225   1HD2  LEU  31          1HD2      LEU  31   1.724  -2.936  -3.468
  226   2HD2  LEU  31          2HD2      LEU  31   2.342  -1.597  -2.497
  227   3HD2  LEU  31          3HD2      LEU  31   2.387  -3.243  -1.859
  228    H    SER  32           H        SER  32   2.693  -5.405   1.290
  229    HA   SER  32           HA       SER  32   3.594  -3.485   3.323
  230   1HB   SER  32          2HB       SER  32   4.326  -6.087   4.101
  231   2HB   SER  32          1HB       SER  32   3.014  -5.109   4.759
  232    HG   SER  32           HG       SER  32   1.583  -6.103   3.432
  233    H    CYS  33           H        CYS  33   5.837  -4.041   4.190
  234    HA   CYS  33           HA       CYS  33   7.707  -3.728   2.114
  235   1HB   CYS  33          2HB       CYS  33   7.730  -3.929   5.070
  236   2HB   CYS  33          1HB       CYS  33   9.242  -4.261   4.241
  237    H    ASP  34           H        ASP  34   9.622  -5.068   1.786
  238    HA   ASP  34           HA       ASP  34   8.892  -7.887   1.668
  239   1HB   ASP  34          2HB       ASP  34  10.019  -6.351  -0.205
  240   2HB   ASP  34          1HB       ASP  34  11.486  -6.925   0.581
  241    H    LEU  35           H        LEU  35  11.650  -5.921   2.755
  242    HA   LEU  35           HA       LEU  35  12.698  -8.213   4.206
  243   1HB   LEU  35          2HB       LEU  35  14.289  -6.895   2.976
  244   2HB   LEU  35          1HB       LEU  35  13.776  -5.431   3.792
  245    HG   LEU  35           HG       LEU  35  14.562  -6.620   5.951
  246   1HD1  LEU  35          1HD1      LEU  35  15.537  -8.431   3.825
  247   2HD1  LEU  35          2HD1      LEU  35  16.661  -8.057   5.132
  248   3HD1  LEU  35          3HD1      LEU  35  15.092  -8.777   5.496
  249   1HD2  LEU  35          1HD2      LEU  35  16.739  -5.877   4.029
  250   2HD2  LEU  35          2HD2      LEU  35  15.613  -4.677   4.659
  251   3HD2  LEU  35          3HD2      LEU  35  16.646  -5.582   5.764
  252    H    CYS  36           H        CYS  36  11.654  -4.882   4.975
  253    HA   CYS  36           HA       CYS  36  11.943  -5.054   7.744
  254   1HB   CYS  36          2HB       CYS  36   9.778  -3.474   6.362
  255   2HB   CYS  36          1HB       CYS  36  10.596  -3.099   7.876
  256    H    GLY  37           H        GLY  37   9.184  -5.828   5.687
  257   1HA   GLY  37          1HA       GLY  37   7.570  -7.442   6.002
  258   2HA   GLY  37          2HA       GLY  37   8.338  -7.840   7.538
  259    H    CYS  38           H        CYS  38   7.480  -4.534   7.106
  260    HA   CYS  38           HA       CYS  38   5.306  -4.910   9.026
  261   1HB   CYS  38          2HB       CYS  38   5.515  -2.214   8.786
  262   2HB   CYS  38          1HB       CYS  38   6.441  -3.175   9.934
  263    HG   CYS  38           HG       CYS  38   8.229  -1.390   8.911
  264    H    ARG  39           H        ARG  39   5.148  -2.048   7.144
  265    HA   ARG  39           HA       ARG  39   3.455  -3.157   5.086
  266   1HB   ARG  39          2HB       ARG  39   2.161  -2.542   7.409
  267   2HB   ARG  39          1HB       ARG  39   2.034  -1.022   6.535
  268   1HG   ARG  39          2HG       ARG  39   1.365  -2.892   4.632
  269   2HG   ARG  39          1HG       ARG  39   0.651  -3.539   6.111
  270   1HD   ARG  39          2HD       ARG  39   0.206  -0.700   5.922
  271   2HD   ARG  39          1HD       ARG  39  -0.362  -1.515   4.465
  272    HE   ARG  39           HE       ARG  39  -1.216  -2.852   6.841
  273   1HH1  ARG  39          2HH1      ARG  39  -1.926  -0.161   4.714
  274   2HH1  ARG  39          1HH1      ARG  39  -3.622  -0.124   5.110
  275   1HH2  ARG  39          2HH2      ARG  39  -3.432  -2.752   7.424
  276   2HH2  ARG  39          1HH2      ARG  39  -4.456  -1.554   6.684
  277    H    LEU  40           H        LEU  40   5.896  -1.774   5.058
  278    HA   LEU  40           HA       LEU  40   6.995  -0.071   4.068
  279   1HB   LEU  40          2HB       LEU  40   4.559  -0.487   2.544
  280   2HB   LEU  40          1HB       LEU  40   5.159   1.156   2.394
  281    HG   LEU  40           HG       LEU  40   7.353  -0.649   2.111
  282   1HD1  LEU  40          1HD1      LEU  40   6.681  -1.862   0.133
  283   2HD1  LEU  40          2HD1      LEU  40   5.638  -2.291   1.490
  284   3HD1  LEU  40          3HD1      LEU  40   5.054  -1.191   0.239
  285   1HD2  LEU  40          1HD2      LEU  40   5.953   1.406   0.459
  286   2HD2  LEU  40          2HD2      LEU  40   7.571   1.442   1.160
  287   3HD2  LEU  40          3HD2      LEU  40   7.239   0.423  -0.241
  288    H    GLY  41           H        GLY  41   4.296   1.931   3.402
  289   1HA   GLY  41          1HA       GLY  41   5.248   3.833   5.417
  290   2HA   GLY  41          2HA       GLY  41   4.216   4.207   4.040
  291    H    GLU  42           H        GLU  42   3.073   1.438   5.380
  292    HA   GLU  42           HA       GLU  42   1.361   0.826   6.706
  293   1HB   GLU  42          2HB       GLU  42   2.252   3.319   8.042
  294   2HB   GLU  42          1HB       GLU  42   0.683   2.666   8.498
  295   1HG   GLU  42          2HG       GLU  42   1.614   1.070   9.723
  296   2HG   GLU  42          1HG       GLU  42   2.698   0.605   8.412
  297    H    VAL  43           H        VAL  43   0.932   4.319   6.160
  298    HA   VAL  43           HA       VAL  43  -1.818   3.794   5.274
  299    HB   VAL  43           HB       VAL  43  -1.416   6.547   5.150
  300   1HG1  VAL  43          1HG1      VAL  43  -2.627   6.157   7.573
  301   2HG1  VAL  43          2HG1      VAL  43  -3.436   6.148   6.005
  302   3HG1  VAL  43          3HG1      VAL  43  -2.925   4.629   6.744
  303   1HG2  VAL  43          1HG2      VAL  43   0.541   5.494   6.904
  304   2HG2  VAL  43          2HG2      VAL  43   0.133   7.184   6.606
  305   3HG2  VAL  43          3HG2      VAL  43  -0.683   6.291   7.889
  306    H    GLY  44           H        GLY  44  -2.468   5.413   3.416
  307   1HA   GLY  44          1HA       GLY  44  -0.726   4.776   1.183
  308   2HA   GLY  44          2HA       GLY  44  -2.312   5.530   1.094
  309    H    ARG  45           H        ARG  45   0.732   6.373   2.706
  310    HA   ARG  45           HA       ARG  45   0.447   9.124   1.771
  311   1HB   ARG  45          2HB       ARG  45   2.697   9.216   3.233
  312   2HB   ARG  45          1HB       ARG  45   1.096   9.330   3.948
  313   1HG   ARG  45          2HG       ARG  45   1.148   7.095   4.677
  314   2HG   ARG  45          1HG       ARG  45   2.532   6.709   3.652
  315   1HD   ARG  45          2HD       ARG  45   3.255   6.904   5.943
  316   2HD   ARG  45          1HD       ARG  45   3.916   8.239   4.998
  317    HE   ARG  45           HE       ARG  45   1.506   9.097   6.124
  318   1HH1  ARG  45          2HH1      ARG  45   4.686   8.081   7.183
  319   2HH1  ARG  45          1HH1      ARG  45   4.684   9.104   8.593
  320   1HH2  ARG  45          2HH2      ARG  45   1.483  10.416   7.980
  321   2HH2  ARG  45          1HH2      ARG  45   2.843  10.416   9.061
  322    H    ARG  46           H        ARG  46   3.239   6.942   2.077
  323    HA   ARG  46           HA       ARG  46   3.902   7.456  -0.717
  324   1HB   ARG  46          2HB       ARG  46   6.348   7.549  -0.009
  325   2HB   ARG  46          1HB       ARG  46   5.375   8.973   0.332
  326   1HG   ARG  46          2HG       ARG  46   5.853   8.847   2.488
  327   2HG   ARG  46          1HG       ARG  46   5.284   7.178   2.561
  328   1HD   ARG  46          2HD       ARG  46   7.575   7.230   3.258
  329   2HD   ARG  46          1HD       ARG  46   7.490   6.449   1.680
  330    HE   ARG  46           HE       ARG  46   8.198   8.672   0.756
  331   1HH1  ARG  46          2HH1      ARG  46   8.991   7.719   4.031
  332   2HH1  ARG  46          1HH1      ARG  46  10.419   8.703   4.120
  333   1HH2  ARG  46          2HH2      ARG  46  10.056   9.997   0.871
  334   2HH2  ARG  46          1HH2      ARG  46  11.019  10.007   2.319
  335    H    LEU  47           H        LEU  47   4.431   5.631  -1.764
  336    HA   LEU  47           HA       LEU  47   5.262   3.295  -0.201
  337   1HB   LEU  47          2HB       LEU  47   2.667   3.590  -0.948
  338   2HB   LEU  47          1HB       LEU  47   3.313   2.745  -2.343
  339    HG   LEU  47           HG       LEU  47   4.087   1.559   0.227
  340   1HD1  LEU  47          1HD1      LEU  47   2.020   1.937   1.116
  341   2HD1  LEU  47          2HD1      LEU  47   1.237   2.025  -0.462
  342   3HD1  LEU  47          3HD1      LEU  47   1.689   0.458   0.210
  343   1HD2  LEU  47          1HD2      LEU  47   2.648   0.252  -2.049
  344   2HD2  LEU  47          2HD2      LEU  47   4.355   0.679  -2.173
  345   3HD2  LEU  47          3HD2      LEU  47   3.814  -0.443  -0.922
  346    H    TYR  48           H        TYR  48   6.927   2.336  -1.084
  347    HA   TYR  48           HA       TYR  48   7.551   2.819  -3.911
  348   1HB   TYR  48          2HB       TYR  48   9.366   1.620  -1.806
  349   2HB   TYR  48          1HB       TYR  48   9.821   2.179  -3.409
  350    HD1  TYR  48           1HD      TYR  48   8.615   3.333  -0.093
  351    HD2  TYR  48           2HD      TYR  48  10.486   4.409  -3.761
  352    HE1  TYR  48           1HE      TYR  48   9.174   5.537   0.841
  353    HE2  TYR  48           2HE      TYR  48  11.048   6.610  -2.836
  354    HH   TYR  48           HH       TYR  48   9.754   8.067  -0.675
  355    H    TYR  49           H        TYR  49   8.189   0.995  -5.203
  356    HA   TYR  49           HA       TYR  49   8.062  -1.618  -4.133
  357   1HB   TYR  49          2HB       TYR  49   6.058  -2.421  -4.774
  358   2HB   TYR  49          1HB       TYR  49   5.572  -0.727  -4.699
  359    HD1  TYR  49           1HD      TYR  49   5.694  -3.643  -6.670
  360    HD2  TYR  49           2HD      TYR  49   5.751   0.600  -6.962
  361    HE1  TYR  49           1HE      TYR  49   4.964  -3.800  -9.011
  362    HE2  TYR  49           2HE      TYR  49   5.037   0.455  -9.308
  363    HH   TYR  49           HH       TYR  49   4.511  -0.876 -10.998
  364    H    LYS  50           H        LYS  50   9.095  -3.065  -5.377
  365    HA   LYS  50           HA       LYS  50  10.645  -1.983  -7.563
  366   1HB   LYS  50          2HB       LYS  50  10.762  -4.327  -5.784
  367   2HB   LYS  50          1HB       LYS  50  11.307  -4.628  -7.426
  368   1HG   LYS  50          2HG       LYS  50  12.384  -2.170  -6.297
  369   2HG   LYS  50          1HG       LYS  50  12.825  -3.614  -5.382
  370   1HD   LYS  50          2HD       LYS  50  13.940  -4.566  -7.187
  371   2HD   LYS  50          1HD       LYS  50  13.099  -3.553  -8.364
  372   1HE   LYS  50          2HE       LYS  50  14.322  -1.606  -7.611
  373   2HE   LYS  50          1HE       LYS  50  15.105  -2.554  -6.344
  374   1HZ   LYS  50          1HZ       LYS  50  15.771  -3.976  -8.481
  375   2HZ   LYS  50          2HZ       LYS  50  16.712  -2.687  -7.901
  376   3HZ   LYS  50          3HZ       LYS  50  15.651  -2.444  -9.203
  377    H    LEU  51           H        LEU  51  10.942  -3.485  -9.519
  378    HA   LEU  51           HA       LEU  51   8.965  -3.366 -11.239
  379   1HB   LEU  51          2HB       LEU  51  10.004  -5.977 -11.740
  380   2HB   LEU  51          1HB       LEU  51  10.278  -4.493 -12.615
  381    HG   LEU  51           HG       LEU  51  12.373  -5.524 -12.025
  382   1HD1  LEU  51          1HD1      LEU  51  11.688  -2.876 -11.444
  383   2HD1  LEU  51          2HD1      LEU  51  12.745  -3.413 -10.134
  384   3HD1  LEU  51          3HD1      LEU  51  13.284  -3.532 -11.811
  385   1HD2  LEU  51          1HD2      LEU  51  12.809  -5.310  -9.364
  386   2HD2  LEU  51          2HD2      LEU  51  11.118  -5.798  -9.389
  387   3HD2  LEU  51          3HD2      LEU  51  12.335  -6.793 -10.185
  388    H    GLY  52           H        GLY  52   9.216  -6.195  -9.067
  389   1HA   GLY  52          1HA       GLY  52   6.326  -6.549  -9.427
  390   2HA   GLY  52          2HA       GLY  52   7.377  -7.914  -9.763
  391    H    ARG  53           H        ARG  53   8.242  -5.737  -7.194
  392    HA   ARG  53           HA       ARG  53   7.049  -7.509  -5.194
  393   1HB   ARG  53          2HB       ARG  53   9.609  -6.976  -4.179
  394   2HB   ARG  53          1HB       ARG  53   8.962  -8.528  -4.686
  395   1HG   ARG  53          2HG       ARG  53   9.750  -7.974  -7.007
  396   2HG   ARG  53          1HG       ARG  53  10.604  -6.604  -6.301
  397   1HD   ARG  53          2HD       ARG  53  12.281  -7.933  -5.722
  398   2HD   ARG  53          1HD       ARG  53  11.179  -8.908  -4.749
  399    HE   ARG  53           HE       ARG  53  11.143  -9.470  -7.582
  400   1HH1  ARG  53          2HH1      ARG  53  12.536 -10.260  -4.468
  401   2HH1  ARG  53          1HH1      ARG  53  13.006 -11.870  -4.937
  402   1HH2  ARG  53          2HH2      ARG  53  11.756 -11.582  -8.215
  403   2HH2  ARG  53          1HH2      ARG  53  12.584 -12.612  -7.084
  404    H    LYS  54           H        LYS  54   6.194  -6.394  -3.582
  405    HA   LYS  54           HA       LYS  54   6.541  -3.537  -3.456
  406   1HB   LYS  54          2HB       LYS  54   5.106  -4.803  -1.234
  407   2HB   LYS  54          1HB       LYS  54   4.589  -3.521  -2.319
  408   1HG   LYS  54          2HG       LYS  54   3.572  -4.955  -3.748
  409   2HG   LYS  54          1HG       LYS  54   4.732  -6.251  -3.451
  410   1HD   LYS  54          2HD       LYS  54   3.558  -6.083  -1.028
  411   2HD   LYS  54          1HD       LYS  54   2.214  -5.600  -2.064
  412   1HE   LYS  54          2HE       LYS  54   1.902  -7.687  -2.785
  413   2HE   LYS  54          1HE       LYS  54   3.621  -7.901  -3.128
  414   1HZ   LYS  54          1HZ       LYS  54   3.529  -8.000  -0.427
  415   2HZ   LYS  54          2HZ       LYS  54   3.552  -9.352  -1.451
  416   3HZ   LYS  54          3HZ       LYS  54   2.074  -8.764  -0.857
  417    H    LEU  55           H        LEU  55   8.121  -2.577  -2.394
  418    HA   LEU  55           HA       LEU  55   8.780  -3.272   0.299
  419   1HB   LEU  55          2HB       LEU  55  10.860  -4.169   0.094
  420   2HB   LEU  55          1HB       LEU  55  10.155  -4.792  -1.382
  421    HG   LEU  55           HG       LEU  55  11.831  -2.288  -1.266
  422   1HD1  LEU  55          1HD1      LEU  55  13.299  -4.002  -0.614
  423   2HD1  LEU  55          2HD1      LEU  55  12.587  -5.158  -1.737
  424   3HD1  LEU  55          3HD1      LEU  55  13.557  -3.817  -2.346
  425   1HD2  LEU  55          1HD2      LEU  55  10.155  -2.782  -3.176
  426   2HD2  LEU  55          2HD2      LEU  55  11.804  -2.313  -3.586
  427   3HD2  LEU  55          3HD2      LEU  55  11.324  -4.008  -3.665
  428    H    CYS  56           H        CYS  56  10.230  -1.631   1.253
  429    HA   CYS  56           HA       CYS  56   9.630   0.916   0.059
  430   1HB   CYS  56          2HB       CYS  56  10.507   1.920   2.071
  431   2HB   CYS  56          1HB       CYS  56   9.446   0.592   2.500
  432    H    ARG  57           H        ARG  57  11.537   2.572   0.612
  433    HA   ARG  57           HA       ARG  57  13.655   1.868  -1.258
  434   1HB   ARG  57          2HB       ARG  57  12.328   4.143  -1.054
  435   2HB   ARG  57          1HB       ARG  57  13.536   4.496   0.175
  436   1HG   ARG  57          2HG       ARG  57  14.398   5.428  -1.776
  437   2HG   ARG  57          1HG       ARG  57  15.262   3.897  -1.616
  438   1HD   ARG  57          2HD       ARG  57  13.519   2.895  -3.141
  439   2HD   ARG  57          1HD       ARG  57  12.963   4.542  -3.449
  440    HE   ARG  57           HE       ARG  57  15.649   4.640  -3.946
  441   1HH1  ARG  57          2HH1      ARG  57  12.920   2.861  -5.252
  442   2HH1  ARG  57          1HH1      ARG  57  13.745   2.435  -6.722
  443   1HH2  ARG  57          2HH2      ARG  57  16.715   4.119  -5.865
  444   2HH2  ARG  57          1HH2      ARG  57  15.909   3.160  -7.076
  445    H    ARG  58           H        ARG  58  13.085   1.727   2.046
  446    HA   ARG  58           HA       ARG  58  15.821   2.249   2.812
  447   1HB   ARG  58          2HB       ARG  58  13.446   1.480   4.496
  448   2HB   ARG  58          1HB       ARG  58  15.026   1.948   5.115
  449   1HG   ARG  58          2HG       ARG  58  13.922   3.938   5.285
  450   2HG   ARG  58          1HG       ARG  58  14.588   4.087   3.656
  451   1HD   ARG  58          2HD       ARG  58  12.537   4.414   2.917
  452   2HD   ARG  58          1HD       ARG  58  12.202   2.734   3.322
  453    HE   ARG  58           HE       ARG  58  11.508   5.090   4.931
  454   1HH1  ARG  58          2HH1      ARG  58  11.283   1.631   4.382
  455   2HH1  ARG  58          1HH1      ARG  58  10.067   1.395   5.609
  456   1HH2  ARG  58          2HH2      ARG  58   9.904   4.785   6.509
  457   2HH2  ARG  58          1HH2      ARG  58   9.276   3.186   6.813
  458    H    ASP  59           H        ASP  59  13.557  -0.464   2.717
  459    HA   ASP  59           HA       ASP  59  15.642  -2.241   3.673
  460   1HB   ASP  59          2HB       ASP  59  14.053  -3.848   4.061
  461   2HB   ASP  59          1HB       ASP  59  13.122  -2.382   4.284
  462    H    TYR  60           H        TYR  60  14.454  -1.090   0.745
  463    HA   TYR  60           HA       TYR  60  15.588  -3.148  -0.942
  464   1HB   TYR  60          2HB       TYR  60  14.232  -2.000  -2.349
  465   2HB   TYR  60          1HB       TYR  60  14.206  -0.587  -1.303
  466    HD1  TYR  60           1HD      TYR  60  15.809  -2.187  -4.165
  467    HD2  TYR  60           2HD      TYR  60  15.832   1.232  -1.617
  468    HE1  TYR  60           1HE      TYR  60  17.222  -0.998  -5.781
  469    HE2  TYR  60           2HE      TYR  60  17.248   2.424  -3.240
  470    HH   TYR  60           HH       TYR  60  18.211   2.372  -5.246
  471    H    LEU  61           H        LEU  61  16.534  -0.245   0.694
  472    HA   LEU  61           HA       LEU  61  18.966   0.283  -0.595
  473   1HB   LEU  61          2HB       LEU  61  17.458   1.575   1.154
  474   2HB   LEU  61          1HB       LEU  61  18.605   0.887   2.293
  475    HG   LEU  61           HG       LEU  61  20.442   1.945   0.932
  476   1HD1  LEU  61          1HD1      LEU  61  18.077   3.281  -0.373
  477   2HD1  LEU  61          2HD1      LEU  61  19.754   3.808  -0.537
  478   3HD1  LEU  61          3HD1      LEU  61  19.261   2.229  -1.150
  479   1HD2  LEU  61          1HD2      LEU  61  19.282   2.871   3.039
  480   2HD2  LEU  61          2HD2      LEU  61  20.270   3.969   2.075
  481   3HD2  LEU  61          3HD2      LEU  61  18.512   4.008   1.930
  482    H    ARG  62           H        ARG  62  18.102  -2.212   1.558
  483    HA   ARG  62           HA       ARG  62  20.638  -2.670   2.768
  484   1HB   ARG  62          2HB       ARG  62  18.035  -3.935   2.704
  485   2HB   ARG  62          1HB       ARG  62  19.318  -5.128   2.586
  486   1HG   ARG  62          2HG       ARG  62  18.663  -4.768   4.897
  487   2HG   ARG  62          1HG       ARG  62  20.328  -4.250   4.627
  488   1HD   ARG  62          2HD       ARG  62  18.347  -2.144   4.203
  489   2HD   ARG  62          1HD       ARG  62  18.378  -2.769   5.852
  490    HE   ARG  62           HE       ARG  62  20.978  -2.363   5.410
  491   1HH1  ARG  62          2HH1      ARG  62  18.222  -0.305   4.711
  492   2HH1  ARG  62          1HH1      ARG  62  19.094   1.173   4.979
  493   1HH2  ARG  62          2HH2      ARG  62  22.134  -0.416   5.737
  494   2HH2  ARG  62          1HH2      ARG  62  21.323   1.113   5.538
  495    H    LEU  63           H        LEU  63  19.252  -3.379  -0.305
  496    HA   LEU  63           HA       LEU  63  21.564  -5.075  -0.972
  497   1HB   LEU  63          2HB       LEU  63  19.766  -5.616  -2.942
  498   2HB   LEU  63          1HB       LEU  63  19.997  -6.582  -1.499
  499    HG   LEU  63           HG       LEU  63  18.093  -4.382  -1.142
  500   1HD1  LEU  63          1HD1      LEU  63  17.586  -6.525  -3.185
  501   2HD1  LEU  63          2HD1      LEU  63  16.298  -5.637  -2.375
  502   3HD1  LEU  63          3HD1      LEU  63  17.460  -4.778  -3.384
  503   1HD2  LEU  63          1HD2      LEU  63  17.710  -5.770   0.556
  504   2HD2  LEU  63          2HD2      LEU  63  16.885  -6.812  -0.604
  505   3HD2  LEU  63          3HD2      LEU  63  18.586  -7.086  -0.226
  506    H    GLY  64           H        GLY  64  19.340  -2.638  -2.314
  507   1HA   GLY  64          1HA       GLY  64  21.204  -2.227  -4.540
  508   2HA   GLY  64          2HA       GLY  64  19.552  -1.638  -4.452
  509    H    GLY  65           H        GLY  65  21.008  -1.030  -1.544
  510   1HA   GLY  65          1HA       GLY  65  22.027   1.597  -2.406
  511   2HA   GLY  65          2HA       GLY  65  20.843   1.488  -1.107
  512    H    SER  66           H        SER  66  23.573  -0.594  -1.827
  513    HA   SER  66           HA       SER  66  24.244  -0.957   0.848
  514   1HB   SER  66          2HB       SER  66  26.452  -1.659  -0.797
  515   2HB   SER  66          1HB       SER  66  25.216  -2.713  -0.113
  516    HG   SER  66           HG       SER  66  25.583  -2.081  -2.655
  517    H    GLY  67           H        GLY  67  24.343   1.828   0.522
  518   1HA   GLY  67          1HA       GLY  67  26.970   2.854   0.207
  519   2HA   GLY  67          2HA       GLY  67  25.651   3.638   1.064
  520    H    GLY  68           H        GLY  68  25.232   1.477   2.931
  521   1HA   GLY  68          1HA       GLY  68  26.543   0.205   4.495
  522   2HA   GLY  68          2HA       GLY  68  27.803   1.419   4.360
  523    H    HIS  69           H        HIS  69  25.804   3.627   4.601
  524    HA   HIS  69           HA       HIS  69  25.279   3.320   7.483
  525   1HB   HIS  69          2HB       HIS  69  25.623   6.003   7.252
  526   2HB   HIS  69          1HB       HIS  69  26.881   4.884   7.750
  527    HD2  HIS  69           2HD      HIS  69  28.810   4.306   5.763
  528    HE1  HIS  69           1HE      HIS  69  27.626   7.520   3.284
  529    HE2  HIS  69           2HE      HIS  69  29.288   5.634   3.583
  530    H    MET  70           H        MET  70  23.742   4.860   8.363
  531    HA   MET  70           HA       MET  70  21.344   4.917   6.760
  532   1HB   MET  70          2HB       MET  70  21.990   5.764   9.579
  533   2HB   MET  70          1HB       MET  70  20.411   6.039   8.858
  534   1HG   MET  70          2HG       MET  70  20.978   3.355   8.378
  535   2HG   MET  70          1HG       MET  70  21.501   3.657  10.034
  536   1HE   MET  70          1HE       MET  70  19.466   2.212  11.407
  537   2HE   MET  70          2HE       MET  70  18.035   1.921  10.416
  538   3HE   MET  70          3HE       MET  70  19.643   1.601   9.760
  539    H    GLY  71           H        GLY  71  23.893   7.082   7.577
  540   1HA   GLY  71          1HA       GLY  71  22.500   9.530   7.200
  541   2HA   GLY  71          2HA       GLY  71  24.242   9.316   7.156
  542    H    SER  72           H        SER  72  24.273   7.403   5.023
  543    HA   SER  72           HA       SER  72  23.062   8.810   2.777
  544   1HB   SER  72          2HB       SER  72  26.012   8.132   2.787
  545   2HB   SER  72          1HB       SER  72  25.121   9.007   1.544
  546    HG   SER  72           HG       SER  72  25.730   9.863   4.187
  547    H    GLY  73           H        GLY  73  21.798   7.170   2.076
  548   1HA   GLY  73          1HA       GLY  73  22.636   4.435   2.164
  549   2HA   GLY  73          2HA       GLY  73  21.198   5.056   1.364
  550    H    GLY  74           H        GLY  74  22.802   6.967  -0.216
  551   1HA   GLY  74          1HA       GLY  74  24.091   7.071  -2.116
  552   2HA   GLY  74          2HA       GLY  74  24.672   5.456  -1.752
  553    H    ASP  75           H        ASP  75  21.274   6.063  -1.998
  554    HA   ASP  75           HA       ASP  75  21.036   4.231  -4.212
  555   1HB   ASP  75          2HB       ASP  75  19.306   4.070  -2.590
  556   2HB   ASP  75          1HB       ASP  75  19.045   5.811  -2.584
  557    H    VAL  76           H        VAL  76  21.927   5.151  -6.011
  558    HA   VAL  76           HA       VAL  76  20.703   7.666  -6.915
  559    HB   VAL  76           HB       VAL  76  22.878   8.297  -6.251
  560   1HG1  VAL  76          1HG1      VAL  76  23.852   6.067  -6.026
  561   2HG1  VAL  76          2HG1      VAL  76  23.982   5.946  -7.781
  562   3HG1  VAL  76          3HG1      VAL  76  24.923   7.157  -6.909
  563   1HG2  VAL  76          1HG2      VAL  76  22.433   8.007  -9.160
  564   2HG2  VAL  76          2HG2      VAL  76  22.678   9.457  -8.184
  565   3HG2  VAL  76          3HG2      VAL  76  24.060   8.458  -8.643
  566    H    MET  77           H        MET  77  19.463   7.220  -8.574
  567    HA   MET  77           HA       MET  77  19.986   4.994 -10.326
  568   1HB   MET  77          2HB       MET  77  17.921   7.115 -10.821
  569   2HB   MET  77          1HB       MET  77  17.874   5.410 -11.252
  570   1HG   MET  77          2HG       MET  77  17.464   4.759  -9.028
  571   2HG   MET  77          1HG       MET  77  17.863   6.354  -8.410
  572   1HE   MET  77          1HE       MET  77  14.631   7.762  -7.772
  573   2HE   MET  77          2HE       MET  77  15.209   6.289  -6.995
  574   3HE   MET  77          3HE       MET  77  16.351   7.558  -7.434
  575    H    VAL  78           H        VAL  78  21.671   5.249 -11.638
  576    HA   VAL  78           HA       VAL  78  23.113   6.095 -13.169
  577    HB   VAL  78           HB       VAL  78  21.001   7.860 -14.330
  578   1HG1  VAL  78          1HG1      VAL  78  22.640   5.985 -15.924
  579   2HG1  VAL  78          2HG1      VAL  78  22.199   7.662 -16.247
  580   3HG1  VAL  78          3HG1      VAL  78  23.501   7.294 -15.116
  581   1HG2  VAL  78          1HG2      VAL  78  21.022   4.999 -15.128
  582   2HG2  VAL  78          2HG2      VAL  78  20.200   5.419 -13.624
  583   3HG2  VAL  78          3HG2      VAL  78  19.699   6.167 -15.141
  584    H    VAL  79           H        VAL  79  21.633   9.088 -13.793
  585    HA   VAL  79           HA       VAL  79  23.313  10.434 -11.790
  586    HB   VAL  79           HB       VAL  79  23.097  12.131 -14.049
  587   1HG1  VAL  79          1HG1      VAL  79  25.731  11.189 -13.841
  588   2HG1  VAL  79          2HG1      VAL  79  25.049  12.652 -13.133
  589   3HG1  VAL  79          3HG1      VAL  79  25.061  11.147 -12.211
  590   1HG2  VAL  79          1HG2      VAL  79  22.766  10.034 -15.346
  591   2HG2  VAL  79          2HG2      VAL  79  24.219  10.929 -15.795
  592   3HG2  VAL  79          3HG2      VAL  79  24.347   9.490 -14.784
  593    H    GLY  80           H        GLY  80  20.517   9.782 -11.748
  594   1HA   GLY  80          1HA       GLY  80  19.016  12.114 -12.483
  595   2HA   GLY  80          2HA       GLY  80  18.418  10.724 -11.593
  596    H    GLU  81           H        GLU  81  21.095  11.640  -9.973
  597    HA   GLU  81           HA       GLU  81  21.495  12.657  -7.986
  598   1HB   GLU  81          2HB       GLU  81  19.558  14.734  -9.016
  599   2HB   GLU  81          1HB       GLU  81  20.725  14.957  -7.720
  600   1HG   GLU  81          2HG       GLU  81  22.419  15.296  -9.135
  601   2HG   GLU  81          1HG       GLU  81  21.883  14.028 -10.237
  602    HA   PRO  82           HA       PRO  82  17.960  10.740  -5.874
  603   1HB   PRO  82          2HB       PRO  82  19.424  10.233  -3.603
  604   2HB   PRO  82          1HB       PRO  82  19.311   9.150  -4.991
  605   1HG   PRO  82          2HG       PRO  82  21.465  11.087  -4.263
  606   2HG   PRO  82          1HG       PRO  82  21.606   9.460  -4.957
  607   1HD   PRO  82          2HD       PRO  82  21.887  11.681  -6.453
  608   2HD   PRO  82          1HD       PRO  82  21.156  10.196  -7.095
  609    H    THR  83           H        THR  83  16.836  11.167  -3.930
  610    HA   THR  83           HA       THR  83  16.903  13.927  -3.093
  611    HB   THR  83           HB       THR  83  15.148  12.446  -1.456
  612    HG1  THR  83           1HG      THR  83  14.278  11.722  -3.939
  613   1HG2  THR  83          1HG2      THR  83  14.483  13.924  -4.004
  614   2HG2  THR  83          2HG2      THR  83  14.826  14.717  -2.466
  615   3HG2  THR  83          3HG2      THR  83  13.427  13.656  -2.617
  616    H    LEU  84           H        LEU  84  19.162  13.593  -2.264
  617    HA   LEU  84           HA       LEU  84  19.676  11.902  -0.078
  618   1HB   LEU  84          2HB       LEU  84  21.144  14.396  -0.941
  619   2HB   LEU  84          1HB       LEU  84  21.760  13.184   0.167
  620    HG   LEU  84           HG       LEU  84  20.937  12.353  -2.584
  621   1HD1  LEU  84          1HD1      LEU  84  23.438  13.840  -1.845
  622   2HD1  LEU  84          2HD1      LEU  84  23.373  12.740  -3.221
  623   3HD1  LEU  84          3HD1      LEU  84  22.321  14.155  -3.173
  624   1HD2  LEU  84          1HD2      LEU  84  22.404  10.568  -2.237
  625   2HD2  LEU  84          2HD2      LEU  84  23.254  11.400  -0.934
  626   3HD2  LEU  84          3HD2      LEU  84  21.619  10.793  -0.674
  627    H    MET  85           H        MET  85  18.360  12.120   1.635
  628    HA   MET  85           HA       MET  85  18.455  14.676   3.085
  629   1HB   MET  85          2HB       MET  85  16.231  13.930   1.827
  630   2HB   MET  85          1HB       MET  85  16.018  12.969   3.284
  631   1HG   MET  85          2HG       MET  85  16.715  15.491   4.210
  632   2HG   MET  85          1HG       MET  85  15.624  15.794   2.860
  633   1HE   MET  85          1HE       MET  85  14.716  15.730   6.772
  634   2HE   MET  85          2HE       MET  85  15.307  16.764   5.469
  635   3HE   MET  85          3HE       MET  85  13.571  16.567   5.724
  636    H    GLY  86           H        GLY  86  20.120  12.379   3.432
  637   1HA   GLY  86          1HA       GLY  86  21.035  11.372   5.309
  638   2HA   GLY  86          2HA       GLY  86  19.670  11.952   6.250
  639    H    GLY  87           H        GLY  87  20.202   9.702   3.533
  640   1HA   GLY  87          1HA       GLY  87  19.762   7.429   3.454
  641   2HA   GLY  87          2HA       GLY  87  19.138   7.516   5.093
  642    H    GLU  88           H        GLU  88  17.145   9.434   4.766
  643    HA   GLU  88           HA       GLU  88  15.177   7.768   3.513
  644   1HB   GLU  88          2HB       GLU  88  15.174  10.087   5.352
  645   2HB   GLU  88          1HB       GLU  88  13.730   9.835   4.376
  646   1HG   GLU  88          2HG       GLU  88  14.510   7.332   5.432
  647   2HG   GLU  88          1HG       GLU  88  14.531   8.507   6.740
  648    H    PHE  89           H        PHE  89  15.819   8.030   1.306
  649    HA   PHE  89           HA       PHE  89  15.386  10.613   0.058
  650   1HB   PHE  89          2HB       PHE  89  15.560   8.215  -1.668
  651   2HB   PHE  89          1HB       PHE  89  16.406   9.758  -1.789
  652    HD1  PHE  89           1HD      PHE  89  16.624   6.336  -0.833
  653    HD2  PHE  89           2HD      PHE  89  18.352  10.172  -0.209
  654    HE1  PHE  89           1HE      PHE  89  18.653   5.274   0.067
  655    HE2  PHE  89           2HE      PHE  89  20.382   9.116   0.688
  656    HZ   PHE  89           HZ       PHE  89  20.525   6.667   0.834
  657    H    GLY  90           H        GLY  90  14.087  10.210  -2.180
  658   1HA   GLY  90          1HA       GLY  90  11.775   8.590  -2.114
  659   2HA   GLY  90          2HA       GLY  90  11.374  10.205  -1.531
  660    H    ASP  91           H        ASP  91  11.984   8.259  -4.266
  661    HA   ASP  91           HA       ASP  91  12.972  10.210  -6.003
  662   1HB   ASP  91          2HB       ASP  91  12.267   8.585  -7.821
  663   2HB   ASP  91          1HB       ASP  91  13.371   7.968  -6.606
  664    H    GLU  92           H        GLU  92  10.040   8.644  -7.020
  665    HA   GLU  92           HA       GLU  92   8.464  11.070  -6.941
  666   1HB   GLU  92          2HB       GLU  92   8.212  10.573  -9.605
  667   2HB   GLU  92          1HB       GLU  92   9.237  11.828  -8.926
  668   1HG   GLU  92          2HG       GLU  92  11.068  10.854  -9.710
  669   2HG   GLU  92          1HG       GLU  92  10.619   9.303  -9.002
  670    H    ASP  93           H        ASP  93   8.922   7.775  -7.991
  671    HA   ASP  93           HA       ASP  93   6.102   7.398  -8.510
  672   1HB   ASP  93          2HB       ASP  93   8.174   6.332  -9.731
  673   2HB   ASP  93          1HB       ASP  93   8.058   5.138  -8.441
  674    H    GLU  94           H        GLU  94   7.415   7.827  -5.721
  675    HA   GLU  94           HA       GLU  94   6.611   5.442  -4.290
  676   1HB   GLU  94          2HB       GLU  94   7.055   6.902  -2.260
  677   2HB   GLU  94          1HB       GLU  94   8.426   6.591  -3.312
  678   1HG   GLU  94          2HG       GLU  94   8.700   8.747  -3.777
  679   2HG   GLU  94          1HG       GLU  94   6.974   9.007  -4.027
  680    H    ARG  95           H        ARG  95   4.614   6.710  -5.903
  681    HA   ARG  95           HA       ARG  95   2.706   7.731  -3.953
  682   1HB   ARG  95          2HB       ARG  95   1.650   8.152  -6.423
  683   2HB   ARG  95          1HB       ARG  95   2.635   9.313  -5.555
  684   1HG   ARG  95          2HG       ARG  95   4.207   9.233  -7.107
  685   2HG   ARG  95          1HG       ARG  95   4.298   7.475  -6.995
  686   1HD   ARG  95          2HD       ARG  95   3.372   7.334  -9.011
  687   2HD   ARG  95          1HD       ARG  95   1.910   8.083  -8.359
  688    HE   ARG  95           HE       ARG  95   2.643  10.176  -9.128
  689   1HH1  ARG  95          2HH1      ARG  95   4.792   7.565 -10.101
  690   2HH1  ARG  95          1HH1      ARG  95   5.690   8.565 -11.201
  691   1HH2  ARG  95          2HH2      ARG  95   3.809  11.457 -10.576
  692   2HH2  ARG  95          1HH2      ARG  95   5.136  10.776 -11.471
  693    H    LEU  96           H        LEU  96   0.758   7.178  -6.267
  694    HA   LEU  96           HA       LEU  96  -0.775   5.636  -6.873
  695   1HB   LEU  96          2HB       LEU  96   1.393   3.582  -6.732
  696   2HB   LEU  96          1HB       LEU  96   0.082   3.723  -7.885
  697    HG   LEU  96           HG       LEU  96   1.987   5.965  -7.901
  698   1HD1  LEU  96          1HD1      LEU  96   3.764   4.577  -7.732
  699   2HD1  LEU  96          2HD1      LEU  96   2.851   3.161  -8.254
  700   3HD1  LEU  96          3HD1      LEU  96   3.418   4.334  -9.444
  701   1HD2  LEU  96          1HD2      LEU  96   0.410   6.032  -9.592
  702   2HD2  LEU  96          2HD2      LEU  96   1.813   5.326 -10.399
  703   3HD2  LEU  96          3HD2      LEU  96   0.485   4.291  -9.872
  704    H    ILE  97           H        ILE  97  -1.279   5.995  -4.325
  705    HA   ILE  97           HA       ILE  97  -2.326   3.401  -3.727
  706    HB   ILE  97           HB       ILE  97  -1.543   4.328  -1.155
  707   1HG1  ILE  97          2HG1      ILE  97   0.947   3.436  -1.662
  708   2HG1  ILE  97          1HG1      ILE  97   0.621   4.244  -3.192
  709   1HG2  ILE  97          1HG2      ILE  97  -1.179   2.091  -0.786
  710   2HG2  ILE  97          2HG2      ILE  97  -2.301   2.050  -2.149
  711   3HG2  ILE  97          3HG2      ILE  97  -0.571   1.810  -2.416
  712   1HD1  ILE  97          1HD1      ILE  97   1.514   5.383  -0.803
  713   2HD1  ILE  97          2HD1      ILE  97   1.045   6.215  -2.284
  714   3HD1  ILE  97          3HD1      ILE  97  -0.148   5.937  -1.014
  715    H    THR  98           H        THR  98  -4.281   3.511  -3.019
  716    HA   THR  98           HA       THR  98  -5.205   5.814  -1.513
  717    HB   THR  98           HB       THR  98  -5.808   5.514  -4.248
  718    HG1  THR  98           1HG      THR  98  -5.962   7.520  -3.544
  719   1HG2  THR  98          1HG2      THR  98  -8.099   4.665  -2.505
  720   2HG2  THR  98          2HG2      THR  98  -7.509   3.930  -3.995
  721   3HG2  THR  98          3HG2      THR  98  -8.363   5.473  -4.050
  722    H    ARG  99           H        ARG  99  -6.716   5.277   0.026
  723    HA   ARG  99           HA       ARG  99  -7.176   2.420   0.421
  724   1HB   ARG  99          2HB       ARG  99  -8.181   4.582   2.255
  725   2HB   ARG  99          1HB       ARG  99  -7.772   2.917   2.640
  726   1HG   ARG  99          2HG       ARG  99  -5.419   4.125   1.683
  727   2HG   ARG  99          1HG       ARG  99  -6.159   5.263   2.806
  728   1HD   ARG  99          2HD       ARG  99  -4.806   2.741   3.322
  729   2HD   ARG  99          1HD       ARG  99  -5.143   4.084   4.406
  730    HE   ARG  99           HE       ARG  99  -6.782   1.698   3.998
  731   1HH1  ARG  99          2HH1      ARG  99  -6.489   4.862   5.500
  732   2HH1  ARG  99          1HH1      ARG  99  -7.597   4.469   6.787
  733   1HH2  ARG  99          2HH2      ARG  99  -8.173   1.187   5.665
  734   2HH2  ARG  99          1HH2      ARG  99  -8.590   2.386   6.861
  735    H    LEU 100           H        LEU 100  -8.890   1.555  -0.515
  736    HA   LEU 100           HA       LEU 100 -11.258   3.270  -0.910
  737   1HB   LEU 100          2HB       LEU 100  -9.761   2.190  -2.854
  738   2HB   LEU 100          1HB       LEU 100 -10.906   0.882  -2.604
  739    HG   LEU 100           HG       LEU 100 -12.642   2.052  -3.503
  740   1HD1  LEU 100          1HD1      LEU 100 -12.458   4.691  -3.551
  741   2HD1  LEU 100          2HD1      LEU 100 -13.057   3.828  -2.135
  742   3HD1  LEU 100          3HD1      LEU 100 -11.389   4.397  -2.180
  743   1HD2  LEU 100          1HD2      LEU 100 -11.275   2.015  -5.358
  744   2HD2  LEU 100          2HD2      LEU 100 -11.695   3.724  -5.243
  745   3HD2  LEU 100          3HD2      LEU 100 -10.129   3.160  -4.661
  746    H    GLU 101           H        GLU 101 -13.200   1.851  -1.435
  747    HA   GLU 101           HA       GLU 101 -13.403  -0.340   0.516
  748   1HB   GLU 101          2HB       GLU 101 -16.002   0.482   0.053
  749   2HB   GLU 101          1HB       GLU 101 -15.039   0.875   1.472
  750   1HG   GLU 101          2HG       GLU 101 -14.355   2.955   0.506
  751   2HG   GLU 101          1HG       GLU 101 -15.132   2.551  -1.022
  752    H    ASN 102           H        ASN 102 -14.470  -2.194  -0.184
  753    HA   ASN 102           HA       ASN 102 -14.158  -2.934  -2.830
  754   1HB   ASN 102          2HB       ASN 102 -14.737  -4.314  -0.624
  755   2HB   ASN 102          1HB       ASN 102 -16.364  -4.239  -1.305
  756   1HD2  ASN 102          1HD2      ASN 102 -14.115  -6.321  -0.966
  757   2HD2  ASN 102          2HD2      ASN 102 -14.055  -7.104  -2.523
  758    H    THR 103           H        THR 103 -17.242  -2.197  -1.223
  759    HA   THR 103           HA       THR 103 -18.235  -1.224  -3.795
  760    HB   THR 103           HB       THR 103 -19.361  -3.314  -3.477
  761    HG1  THR 103           1HG      THR 103 -21.603  -2.476  -2.912
  762   1HG2  THR 103          1HG2      THR 103 -20.838  -3.483  -1.295
  763   2HG2  THR 103          2HG2      THR 103 -19.577  -2.436  -0.644
  764   3HG2  THR 103          3HG2      THR 103 -19.154  -4.013  -1.309
  765    H    GLN 104           H        GLN 104 -20.674  -0.852  -1.698
  766    HA   GLN 104           HA       GLN 104 -19.657   1.714  -0.673
  767   1HB   GLN 104          2HB       GLN 104 -22.536   1.001  -1.278
  768   2HB   GLN 104          1HB       GLN 104 -21.932   2.569  -0.757
  769   1HG   GLN 104          2HG       GLN 104 -20.539   2.563  -2.881
  770   2HG   GLN 104          1HG       GLN 104 -21.529   1.201  -3.397
  771   1HE2  GLN 104          1HE2      GLN 104 -22.399   4.143  -1.623
  772   2HE2  GLN 104          2HE2      GLN 104 -23.554   4.703  -2.794
  773    H    PHE 105           H        PHE 105 -18.850   0.035   0.923
  774    HA   PHE 105           HA       PHE 105 -20.837  -0.980   2.766
  775   1HB   PHE 105          2HB       PHE 105 -18.257  -1.792   2.017
  776   2HB   PHE 105          1HB       PHE 105 -18.109  -1.257   3.692
  777    HD1  PHE 105           1HD      PHE 105 -17.646  -4.058   2.908
  778    HD2  PHE 105           2HD      PHE 105 -21.235  -2.045   4.002
  779    HE1  PHE 105           1HE      PHE 105 -18.604  -6.193   3.681
  780    HE2  PHE 105           2HE      PHE 105 -22.198  -4.177   4.770
  781    HZ   PHE 105           HZ       PHE 105 -20.880  -6.251   4.613
  782    H    ASP 106           H        ASP 106 -21.521   1.229   3.140
  783    HA   ASP 106           HA       ASP 106 -19.791   2.907   4.753
  784   1HB   ASP 106          2HB       ASP 106 -21.244   3.838   2.961
  785   2HB   ASP 106          1HB       ASP 106 -22.652   3.342   3.877
  786    H    ALA 107           H        ALA 107 -23.222   2.424   5.167
  787    HA   ALA 107           HA       ALA 107 -24.550   2.090   6.976
  788   1HB   ALA 107          1HB       ALA 107 -22.752  -0.020   6.916
  789   2HB   ALA 107          2HB       ALA 107 -22.745   0.514   8.596
  790   3HB   ALA 107          3HB       ALA 107 -24.262   0.053   7.824
  791    H    ALA 108           H        ALA 108 -22.883   4.415   6.998
  792    HA   ALA 108           HA       ALA 108 -21.802   4.726   9.648
  793   1HB   ALA 108          1HB       ALA 108 -21.216   5.931   7.349
  794   2HB   ALA 108          2HB       ALA 108 -22.375   7.102   7.978
  795   3HB   ALA 108          3HB       ALA 108 -20.939   6.693   8.914
  796    H    ASN 109           H        ASN 109 -22.877   5.307  11.416
  797    HA   ASN 109           HA       ASN 109 -25.680   5.697  11.386
  798   1HB   ASN 109          2HB       ASN 109 -24.282   4.763  13.298
  799   2HB   ASN 109          1HB       ASN 109 -23.871   6.427  13.683
  800   1HD2  ASN 109          1HD2      ASN 109 -26.267   3.999  13.758
  801   2HD2  ASN 109          2HD2      ASN 109 -27.466   4.887  14.656
  802    H    GLY 110           H        GLY 110 -23.088   7.864  10.909
  803   1HA   GLY 110          1HA       GLY 110 -24.063  10.304  11.845
  804   2HA   GLY 110          2HA       GLY 110 -23.080  10.105  10.399
  805    H    ILE 111           H        ILE 111 -24.823   8.522   8.931
  806    HA   ILE 111           HA       ILE 111 -27.167  10.259   8.539
  807    HB   ILE 111           HB       ILE 111 -26.298   8.378   6.387
  808   1HG1  ILE 111          2HG1      ILE 111 -25.242  11.067   5.996
  809   2HG1  ILE 111          1HG1      ILE 111 -24.503  10.258   7.374
  810   1HG2  ILE 111          1HG2      ILE 111 -27.982   9.375   5.345
  811   2HG2  ILE 111          2HG2      ILE 111 -28.226  10.439   6.731
  812   3HG2  ILE 111          3HG2      ILE 111 -27.122  10.912   5.440
  813   1HD1  ILE 111          1HD1      ILE 111 -23.125   9.724   5.587
  814   2HD1  ILE 111          2HD1      ILE 111 -24.138   8.293   5.779
  815   3HD1  ILE 111          3HD1      ILE 111 -24.483   9.453   4.496
  816    H    ASP 112           H        ASP 112 -26.594   7.149   7.132
  817    HA   ASP 112           HA       ASP 112 -27.555   5.502   9.128
  818   1HB   ASP 112          2HB       ASP 112 -29.733   6.801   8.243
  819   2HB   ASP 112          1HB       ASP 112 -29.681   5.515   7.041
  820    H    ASP 113           H        ASP 113 -28.238   3.287   8.090
  821    HA   ASP 113           HA       ASP 113 -26.116   2.649   6.232
  822   1HB   ASP 113          2HB       ASP 113 -26.303   1.030   7.894
  823   2HB   ASP 113          1HB       ASP 113 -28.061   1.079   7.888
  824    H    GLU 114           H        GLU 114 -26.394   2.860   4.123
  825    HA   GLU 114           HA       GLU 114 -29.070   2.369   2.988
  826   1HB   GLU 114          2HB       GLU 114 -27.635   4.704   2.887
  827   2HB   GLU 114          1HB       GLU 114 -27.181   3.936   1.373
  828   1HG   GLU 114          2HG       GLU 114 -29.860   3.592   1.331
  829   2HG   GLU 114          1HG       GLU 114 -29.731   5.117   2.207
  Start of MODEL    8
    1   1H    GLY   1          1H        GLY   1 -24.055  -5.659  -9.084
    2   2H    GLY   1          2H        GLY   1 -24.163  -4.104  -8.416
    3   3H    GLY   1          3H        GLY   1 -23.502  -5.372  -7.504
    4   1HA   GLY   1          2HA       GLY   1 -22.261  -4.733 -10.074
    5   2HA   GLY   1          1HA       GLY   1 -21.985  -3.636  -8.727
    6    H    SER   2           H        SER   2 -19.837  -4.881  -9.754
    7    HA   SER   2           HA       SER   2 -19.315  -7.274  -8.174
    8   1HB   SER   2          2HB       SER   2 -17.056  -6.254  -9.682
    9   2HB   SER   2          1HB       SER   2 -17.891  -7.800  -9.831
   10    HG   SER   2           HG       SER   2 -17.921  -6.038 -11.629
   11    H    LEU   3           H        LEU   3 -17.118  -7.383  -7.101
   12    HA   LEU   3           HA       LEU   3 -16.689  -4.909  -5.570
   13   1HB   LEU   3          2HB       LEU   3 -16.199  -7.807  -4.984
   14   2HB   LEU   3          1HB       LEU   3 -15.292  -6.577  -4.130
   15    HG   LEU   3           HG       LEU   3 -18.022  -5.839  -3.970
   16   1HD1  LEU   3          1HD1      LEU   3 -18.893  -7.829  -2.750
   17   2HD1  LEU   3          2HD1      LEU   3 -18.694  -8.072  -4.485
   18   3HD1  LEU   3          3HD1      LEU   3 -17.514  -8.745  -3.361
   19   1HD2  LEU   3          1HD2      LEU   3 -17.188  -5.270  -1.996
   20   2HD2  LEU   3          2HD2      LEU   3 -17.144  -6.973  -1.538
   21   3HD2  LEU   3          3HD2      LEU   3 -15.740  -6.229  -2.305
   22    H    LEU   4           H        LEU   4 -14.172  -5.177  -4.698
   23    HA   LEU   4           HA       LEU   4 -12.620  -4.834  -7.133
   24   1HB   LEU   4          2HB       LEU   4 -11.588  -4.528  -4.328
   25   2HB   LEU   4          1HB       LEU   4 -10.962  -3.807  -5.802
   26    HG   LEU   4           HG       LEU   4 -13.698  -2.980  -5.260
   27   1HD1  LEU   4          1HD1      LEU   4 -11.936  -3.160  -3.014
   28   2HD1  LEU   4          2HD1      LEU   4 -12.246  -1.466  -3.394
   29   3HD1  LEU   4          3HD1      LEU   4 -13.595  -2.561  -3.088
   30   1HD2  LEU   4          1HD2      LEU   4 -11.630  -0.953  -5.199
   31   2HD2  LEU   4          2HD2      LEU   4 -11.439  -2.048  -6.567
   32   3HD2  LEU   4          3HD2      LEU   4 -12.956  -1.178  -6.339
   33    H    THR   5           H        THR   5 -10.497  -5.845  -7.312
   34    HA   THR   5           HA       THR   5 -10.332  -8.428  -5.926
   35    HB   THR   5           HB       THR   5  -9.050  -8.709  -8.418
   36    HG1  THR   5           1HG      THR   5 -11.760  -7.923  -8.813
   37   1HG2  THR   5          1HG2      THR   5 -11.086  -9.951  -6.805
   38   2HG2  THR   5          2HG2      THR   5  -9.970 -10.688  -7.958
   39   3HG2  THR   5          3HG2      THR   5 -11.512 -10.034  -8.514
   40    H    CYS   6           H        CYS   6  -8.393  -8.961  -5.136
   41    HA   CYS   6           HA       CYS   6  -6.353  -6.921  -5.145
   42   1HB   CYS   6          2HB       CYS   6  -6.629  -7.681  -2.995
   43   2HB   CYS   6          1HB       CYS   6  -7.026  -9.315  -3.507
   44    H    GLY   7           H        GLY   7  -4.354  -7.095  -6.021
   45   1HA   GLY   7          1HA       GLY   7  -4.069  -8.880  -8.220
   46   2HA   GLY   7          2HA       GLY   7  -2.871  -7.723  -7.665
   47    H    GLY   8           H        GLY   8  -3.361  -9.267  -4.943
   48   1HA   GLY   8          1HA       GLY   8  -1.211 -11.198  -5.501
   49   2HA   GLY   8          2HA       GLY   8  -1.607 -10.535  -3.922
   50    H    CYS   9           H        CYS   9  -4.480 -10.953  -4.304
   51    HA   CYS   9           HA       CYS   9  -4.510 -13.829  -3.723
   52   1HB   CYS   9          2HB       CYS   9  -6.512 -11.665  -3.067
   53   2HB   CYS   9          1HB       CYS   9  -6.660 -13.356  -2.601
   54    H    GLN  10           H        GLN  10  -6.374 -11.363  -5.445
   55    HA   GLN  10           HA       GLN  10  -7.782 -11.425  -7.213
   56   1HB   GLN  10          2HB       GLN  10  -6.001 -13.713  -7.690
   57   2HB   GLN  10          1HB       GLN  10  -7.547 -13.797  -8.525
   58   1HG   GLN  10          2HG       GLN  10  -5.925 -11.299  -8.645
   59   2HG   GLN  10          1HG       GLN  10  -5.504 -12.676  -9.661
   60   1HE2  GLN  10          1HE2      GLN  10  -6.250 -12.455 -11.620
   61   2HE2  GLN  10          2HE2      GLN  10  -7.786 -11.766 -12.066
   62    H    GLN  11           H        GLN  11  -8.306 -12.862  -4.541
   63    HA   GLN  11           HA       GLN  11 -10.548 -14.559  -5.356
   64   1HB   GLN  11          2HB       GLN  11 -10.593 -15.234  -2.964
   65   2HB   GLN  11          1HB       GLN  11  -9.063 -15.578  -3.755
   66   1HG   GLN  11          2HG       GLN  11  -8.089 -13.591  -2.742
   67   2HG   GLN  11          1HG       GLN  11  -9.624 -13.238  -1.950
   68   1HE2  GLN  11          1HE2      GLN  11  -9.821 -13.931   0.052
   69   2HE2  GLN  11          2HE2      GLN  11  -8.918 -15.225   0.776
   70    H    ASN  12           H        ASN  12 -10.417 -11.563  -5.389
   71    HA   ASN  12           HA       ASN  12 -11.879  -9.847  -5.163
   72   1HB   ASN  12          2HB       ASN  12 -13.520 -12.129  -4.924
   73   2HB   ASN  12          1HB       ASN  12 -14.016 -11.026  -3.645
   74   1HD2  ASN  12          1HD2      ASN  12 -15.906 -10.319  -4.449
   75   2HD2  ASN  12          2HD2      ASN  12 -16.072  -9.474  -5.961
   76    H    ILE  13           H        ILE  13 -11.784  -8.202  -3.807
   77    HA   ILE  13           HA       ILE  13 -10.985  -8.677  -1.055
   78    HB   ILE  13           HB       ILE  13 -11.389  -6.026  -2.405
   79   1HG1  ILE  13          2HG1      ILE  13  -8.700  -7.279  -2.108
   80   2HG1  ILE  13          1HG1      ILE  13  -9.723  -7.778  -3.449
   81   1HG2  ILE  13          1HG2      ILE  13 -10.722  -5.113  -0.496
   82   2HG2  ILE  13          2HG2      ILE  13 -10.800  -6.715   0.241
   83   3HG2  ILE  13          3HG2      ILE  13  -9.283  -6.137  -0.456
   84   1HD1  ILE  13          1HD1      ILE  13  -8.052  -5.933  -3.882
   85   2HD1  ILE  13          2HD1      ILE  13  -9.716  -5.643  -4.395
   86   3HD1  ILE  13          3HD1      ILE  13  -9.106  -4.900  -2.914
   87    H    GLY  14           H        GLY  14 -12.662  -9.250   0.200
   88   1HA   GLY  14          1HA       GLY  14 -15.128  -7.643   0.026
   89   2HA   GLY  14          2HA       GLY  14 -15.013  -9.259   0.713
   90    H    ASP  15           H        ASP  15 -12.407  -7.340   1.556
   91    HA   ASP  15           HA       ASP  15 -13.070  -7.367   4.308
   92   1HB   ASP  15          2HB       ASP  15 -10.874  -5.885   2.838
   93   2HB   ASP  15          1HB       ASP  15 -10.992  -6.023   4.591
   94    H    ARG  16           H        ARG  16 -12.577  -5.138   5.536
   95    HA   ARG  16           HA       ARG  16 -14.704  -3.372   4.614
   96   1HB   ARG  16          2HB       ARG  16 -14.226  -2.272   6.917
   97   2HB   ARG  16          1HB       ARG  16 -15.048  -3.824   6.857
   98   1HG   ARG  16          2HG       ARG  16 -13.468  -4.792   8.055
   99   2HG   ARG  16          1HG       ARG  16 -12.195  -4.173   7.001
  100   1HD   ARG  16          2HD       ARG  16 -12.496  -1.955   8.212
  101   2HD   ARG  16          1HD       ARG  16 -13.442  -2.855   9.398
  102    HE   ARG  16           HE       ARG  16 -10.589  -3.324   8.791
  103   1HH1  ARG  16          2HH1      ARG  16 -13.270  -3.312  11.039
  104   2HH1  ARG  16          1HH1      ARG  16 -12.382  -4.094  12.311
  105   1HH2  ARG  16          2HH2      ARG  16  -9.405  -4.345  10.459
  106   2HH2  ARG  16          1HH2      ARG  16 -10.174  -4.672  11.984
  107    H    TYR  17           H        TYR  17 -11.246  -3.422   5.060
  108    HA   TYR  17           HA       TYR  17 -11.155  -0.726   3.863
  109   1HB   TYR  17          2HB       TYR  17 -10.125  -1.353   6.379
  110   2HB   TYR  17          1HB       TYR  17  -8.731  -1.500   5.321
  111    HD1  TYR  17           1HD      TYR  17 -11.632   0.829   5.406
  112    HD2  TYR  17           2HD      TYR  17  -7.405   0.396   5.504
  113    HE1  TYR  17           1HE      TYR  17 -11.400   3.272   5.461
  114    HE2  TYR  17           2HE      TYR  17  -7.155   2.846   5.567
  115    HH   TYR  17           HH       TYR  17  -9.987   4.983   5.279
  116    H    PHE  18           H        PHE  18  -9.160  -0.471   2.445
  117    HA   PHE  18           HA       PHE  18  -7.746  -2.834   1.766
  118   1HB   PHE  18          2HB       PHE  18  -8.569  -3.406  -0.315
  119   2HB   PHE  18          1HB       PHE  18 -10.036  -3.042   0.562
  120    HD1  PHE  18           1HD      PHE  18 -10.898  -0.559   0.324
  121    HD2  PHE  18           2HD      PHE  18  -8.224  -2.478  -2.377
  122    HE1  PHE  18           1HE      PHE  18 -11.508   1.058  -1.425
  123    HE2  PHE  18           2HE      PHE  18  -8.834  -0.868  -4.132
  124    HZ   PHE  18           HZ       PHE  18 -10.477   0.905  -3.657
  125    H    LEU  19           H        LEU  19  -6.261  -2.499   0.054
  126    HA   LEU  19           HA       LEU  19  -5.495   0.331  -0.174
  127   1HB   LEU  19          2HB       LEU  19  -4.055  -1.961   0.919
  128   2HB   LEU  19          1HB       LEU  19  -3.125  -0.944  -0.169
  129    HG   LEU  19           HG       LEU  19  -2.958  -0.298   2.205
  130   1HD1  LEU  19          1HD1      LEU  19  -3.887   1.540   0.118
  131   2HD1  LEU  19          2HD1      LEU  19  -3.664   2.157   1.757
  132   3HD1  LEU  19          3HD1      LEU  19  -2.309   1.426   0.899
  133   1HD2  LEU  19          1HD2      LEU  19  -5.129  -0.816   3.012
  134   2HD2  LEU  19          2HD2      LEU  19  -4.791   0.895   3.271
  135   3HD2  LEU  19          3HD2      LEU  19  -5.833   0.396   1.937
  136    H    LYS  20           H        LYS  20  -4.613   0.954  -2.164
  137    HA   LYS  20           HA       LYS  20  -3.964  -0.982  -4.185
  138   1HB   LYS  20          2HB       LYS  20  -5.948  -1.196  -5.188
  139   2HB   LYS  20          1HB       LYS  20  -6.679  -0.243  -3.909
  140   1HG   LYS  20          2HG       LYS  20  -5.386   1.333  -6.004
  141   2HG   LYS  20          1HG       LYS  20  -6.742   0.370  -6.550
  142   1HD   LYS  20          2HD       LYS  20  -8.071   1.329  -4.648
  143   2HD   LYS  20          1HD       LYS  20  -6.725   2.435  -4.365
  144   1HE   LYS  20          2HE       LYS  20  -7.418   3.777  -5.988
  145   2HE   LYS  20          1HE       LYS  20  -7.415   2.444  -7.143
  146   1HZ   LYS  20          1HZ       LYS  20  -9.607   2.721  -7.194
  147   2HZ   LYS  20          2HZ       LYS  20  -9.612   3.704  -5.813
  148   3HZ   LYS  20          3HZ       LYS  20  -9.659   2.018  -5.650
  149    H    ALA  21           H        ALA  21  -2.888  -0.011  -5.975
  150    HA   ALA  21           HA       ALA  21  -2.864   2.703  -6.602
  151   1HB   ALA  21          1HB       ALA  21  -0.759   1.947  -4.596
  152   2HB   ALA  21          2HB       ALA  21  -0.629   3.358  -5.646
  153   3HB   ALA  21          3HB       ALA  21  -1.953   3.240  -4.485
  154    H    ILE  22           H        ILE  22  -0.708  -0.075  -6.215
  155    HA   ILE  22           HA       ILE  22   1.256   0.457  -7.982
  156    HB   ILE  22           HB       ILE  22  -0.021  -2.268  -7.748
  157   1HG1  ILE  22          2HG1      ILE  22   1.817  -0.751  -5.928
  158   2HG1  ILE  22          1HG1      ILE  22   0.404  -1.716  -5.522
  159   1HG2  ILE  22          1HG2      ILE  22   1.753  -3.126  -8.805
  160   2HG2  ILE  22          2HG2      ILE  22   1.955  -1.488  -9.429
  161   3HG2  ILE  22          3HG2      ILE  22   2.890  -2.017  -8.025
  162   1HD1  ILE  22          1HD1      ILE  22   3.148  -2.679  -6.293
  163   2HD1  ILE  22          2HD1      ILE  22   2.306  -2.886  -4.752
  164   3HD1  ILE  22          3HD1      ILE  22   1.734  -3.738  -6.187
  165    H    ASP  23           H        ASP  23  -1.938  -0.728  -8.805
  166    HA   ASP  23           HA       ASP  23  -2.256   0.374 -11.254
  167   1HB   ASP  23          2HB       ASP  23  -0.200  -1.361 -11.655
  168   2HB   ASP  23          1HB       ASP  23  -1.572  -2.408 -12.005
  169    H    GLN  24           H        GLN  24  -2.763  -2.063  -9.022
  170    HA   GLN  24           HA       GLN  24  -5.483  -2.509  -9.984
  171   1HB   GLN  24          2HB       GLN  24  -5.198  -4.909  -9.135
  172   2HB   GLN  24          1HB       GLN  24  -4.430  -4.515 -10.665
  173   1HG   GLN  24          2HG       GLN  24  -2.780  -4.161  -8.257
  174   2HG   GLN  24          1HG       GLN  24  -3.221  -5.817  -8.665
  175   1HE2  GLN  24          1HE2      GLN  24  -0.627  -5.321  -8.759
  176   2HE2  GLN  24          2HE2      GLN  24  -0.061  -5.173 -10.389
  177    H    TYR  25           H        TYR  25  -6.411  -4.083  -8.007
  178    HA   TYR  25           HA       TYR  25  -6.096  -2.364  -5.645
  179   1HB   TYR  25          2HB       TYR  25  -8.249  -4.439  -5.892
  180   2HB   TYR  25          1HB       TYR  25  -8.252  -2.929  -4.976
  181    HD1  TYR  25           1HD      TYR  25  -7.796  -0.805  -6.709
  182    HD2  TYR  25           2HD      TYR  25  -9.754  -4.478  -7.601
  183    HE1  TYR  25           1HE      TYR  25  -9.006   0.292  -8.553
  184    HE2  TYR  25           2HE      TYR  25 -10.962  -3.392  -9.451
  185    HH   TYR  25           HH       TYR  25 -11.102  -0.038  -9.864
  186    H    TRP  26           H        TRP  26  -5.950  -3.354  -3.574
  187    HA   TRP  26           HA       TRP  26  -4.858  -6.083  -3.582
  188   1HB   TRP  26          2HB       TRP  26  -3.539  -3.637  -2.389
  189   2HB   TRP  26          1HB       TRP  26  -2.972  -5.291  -2.202
  190    HD1  TRP  26           HD       TRP  26  -3.167  -2.467  -4.784
  191    HE1  TRP  26           1HE      TRP  26  -1.481  -2.978  -6.653
  192    HE3  TRP  26           3HE      TRP  26  -1.852  -7.181  -3.388
  193    HZ2  TRP  26           2HZ      TRP  26   0.175  -5.120  -7.445
  194    HZ3  TRP  26           3HZ      TRP  26  -0.208  -8.405  -4.753
  195    HH2  TRP  26           HH       TRP  26   0.777  -7.385  -6.742
  196    H    HIS  27           H        HIS  27  -3.984  -6.149  -1.044
  197    HA   HIS  27           HA       HIS  27  -6.340  -5.557   0.626
  198   1HB   HIS  27          2HB       HIS  27  -4.462  -7.895   0.575
  199   2HB   HIS  27          1HB       HIS  27  -5.200  -7.424   2.096
  200    HD2  HIS  27           2HD      HIS  27  -8.180  -7.263   1.747
  201    HE1  HIS  27           1HE      HIS  27  -7.988 -10.557  -0.907
  202    HE2  HIS  27           2HE      HIS  27  -9.440  -9.311   0.778
  203    H    GLU  28           H        GLU  28  -5.464  -5.566   3.080
  204    HA   GLU  28           HA       GLU  28  -3.771  -3.334   3.338
  205   1HB   GLU  28          2HB       GLU  28  -4.492  -5.359   5.454
  206   2HB   GLU  28          1HB       GLU  28  -4.002  -3.698   5.695
  207   1HG   GLU  28          2HG       GLU  28  -6.085  -3.048   4.399
  208   2HG   GLU  28          1HG       GLU  28  -6.589  -4.725   4.611
  209    H    ASP  29           H        ASP  29  -3.262  -6.780   4.122
  210    HA   ASP  29           HA       ASP  29  -0.419  -6.295   4.538
  211   1HB   ASP  29          2HB       ASP  29  -2.089  -7.919   5.861
  212   2HB   ASP  29          1HB       ASP  29  -1.525  -9.050   4.636
  213    H    CYS  30           H        CYS  30  -2.126  -6.510   1.932
  214    HA   CYS  30           HA       CYS  30  -0.414  -8.401   0.513
  215   1HB   CYS  30          2HB       CYS  30  -3.060  -7.115  -0.085
  216   2HB   CYS  30          1HB       CYS  30  -2.110  -7.873  -1.364
  217    H    LEU  31           H        LEU  31  -1.665  -5.089   0.172
  218    HA   LEU  31           HA       LEU  31   0.587  -4.398  -1.541
  219   1HB   LEU  31          2HB       LEU  31  -1.946  -3.428  -1.471
  220   2HB   LEU  31          1HB       LEU  31  -1.115  -2.232  -0.495
  221    HG   LEU  31           HG       LEU  31  -0.529  -2.966  -3.363
  222   1HD1  LEU  31          1HD1      LEU  31  -1.760  -1.211  -3.912
  223   2HD1  LEU  31          2HD1      LEU  31  -2.288  -1.133  -2.229
  224   3HD1  LEU  31          3HD1      LEU  31  -0.902  -0.178  -2.764
  225   1HD2  LEU  31          1HD2      LEU  31   1.334  -1.540  -3.366
  226   2HD2  LEU  31          2HD2      LEU  31   0.932  -0.867  -1.786
  227   3HD2  LEU  31          3HD2      LEU  31   1.527  -2.522  -1.914
  228    H    SER  32           H        SER  32   2.046  -5.052   0.248
  229    HA   SER  32           HA       SER  32   2.641  -2.650   1.760
  230   1HB   SER  32          2HB       SER  32   3.188  -5.368   2.920
  231   2HB   SER  32          1HB       SER  32   3.258  -3.809   3.737
  232    HG   SER  32           HG       SER  32   0.814  -4.114   2.720
  233    H    CYS  33           H        CYS  33   4.779  -5.183   2.381
  234    HA   CYS  33           HA       CYS  33   6.572  -4.161   0.303
  235   1HB   CYS  33          2HB       CYS  33   7.005  -3.475   2.738
  236   2HB   CYS  33          1HB       CYS  33   7.581  -5.128   2.938
  237    H    ASP  34           H        ASP  34   8.470  -5.553  -0.070
  238    HA   ASP  34           HA       ASP  34   7.733  -8.399  -0.194
  239   1HB   ASP  34          2HB       ASP  34   8.499  -7.364  -2.308
  240   2HB   ASP  34          1HB       ASP  34  10.010  -6.917  -1.533
  241    H    LEU  35           H        LEU  35  10.607  -6.416   0.391
  242    HA   LEU  35           HA       LEU  35  12.076  -8.408   1.702
  243   1HB   LEU  35          2HB       LEU  35  13.235  -6.565   0.749
  244   2HB   LEU  35          1HB       LEU  35  12.313  -5.408   1.688
  245    HG   LEU  35           HG       LEU  35  13.427  -6.151   3.734
  246   1HD1  LEU  35          1HD1      LEU  35  13.805  -8.510   2.741
  247   2HD1  LEU  35          2HD1      LEU  35  15.289  -7.817   2.088
  248   3HD1  LEU  35          3HD1      LEU  35  15.019  -7.836   3.830
  249   1HD2  LEU  35          1HD2      LEU  35  15.874  -5.627   2.795
  250   2HD2  LEU  35          2HD2      LEU  35  14.922  -5.116   1.401
  251   3HD2  LEU  35          3HD2      LEU  35  14.634  -4.387   2.980
  252    H    CYS  36           H        CYS  36   9.902  -5.937   2.981
  253    HA   CYS  36           HA       CYS  36  10.495  -6.338   5.710
  254   1HB   CYS  36          2HB       CYS  36   8.136  -5.205   4.243
  255   2HB   CYS  36          1HB       CYS  36   8.088  -5.407   5.988
  256    H    GLY  37           H        GLY  37   8.917  -8.326   3.463
  257   1HA   GLY  37          1HA       GLY  37   8.520 -10.591   3.912
  258   2HA   GLY  37          2HA       GLY  37   8.343 -10.201   5.617
  259    H    CYS  38           H        CYS  38   6.534  -8.113   3.674
  260    HA   CYS  38           HA       CYS  38   4.103  -9.296   4.651
  261   1HB   CYS  38          2HB       CYS  38   4.123  -7.021   2.716
  262   2HB   CYS  38          1HB       CYS  38   3.070  -7.307   4.096
  263    HG   CYS  38           HG       CYS  38   4.524  -6.154   5.933
  264    H    ARG  39           H        ARG  39   4.761  -8.106   1.357
  265    HA   ARG  39           HA       ARG  39   4.192 -10.638   0.166
  266   1HB   ARG  39          2HB       ARG  39   1.902  -9.635   0.783
  267   2HB   ARG  39          1HB       ARG  39   2.205  -8.490  -0.518
  268   1HG   ARG  39          2HG       ARG  39   2.618 -10.553  -1.976
  269   2HG   ARG  39          1HG       ARG  39   1.837 -11.454  -0.676
  270   1HD   ARG  39          2HD       ARG  39   0.485  -9.018  -1.710
  271   2HD   ARG  39          1HD       ARG  39   0.466 -10.471  -2.714
  272    HE   ARG  39           HE       ARG  39  -1.006 -10.014  -0.289
  273   1HH1  ARG  39          2HH1      ARG  39   0.395 -12.496  -2.356
  274   2HH1  ARG  39          1HH1      ARG  39  -0.625 -13.758  -1.737
  275   1HH2  ARG  39          2HH2      ARG  39  -2.327 -11.679   0.517
  276   2HH2  ARG  39          1HH2      ARG  39  -2.167 -13.303  -0.095
  277    H    LEU  40           H        LEU  40   3.155  -7.773  -1.516
  278    HA   LEU  40           HA       LEU  40   3.853  -7.058  -3.586
  279   1HB   LEU  40          2HB       LEU  40   5.361  -6.074  -1.343
  280   2HB   LEU  40          1HB       LEU  40   6.305  -5.974  -2.819
  281    HG   LEU  40           HG       LEU  40   4.183  -4.897  -3.816
  282   1HD1  LEU  40          1HD1      LEU  40   3.646  -4.664  -0.893
  283   2HD1  LEU  40          2HD1      LEU  40   2.936  -3.586  -2.101
  284   3HD1  LEU  40          3HD1      LEU  40   2.602  -5.317  -2.160
  285   1HD2  LEU  40          1HD2      LEU  40   5.551  -3.182  -1.780
  286   2HD2  LEU  40          2HD2      LEU  40   6.458  -3.829  -3.151
  287   3HD2  LEU  40          3HD2      LEU  40   5.066  -2.777  -3.427
  288    H    GLY  41           H        GLY  41   4.214  -8.997  -4.805
  289   1HA   GLY  41          1HA       GLY  41   7.099  -9.402  -5.316
  290   2HA   GLY  41          2HA       GLY  41   6.005 -10.779  -5.201
  291    H    GLU  42           H        GLU  42   4.765 -11.322  -6.839
  292    HA   GLU  42           HA       GLU  42   4.898 -11.606  -9.248
  293   1HB   GLU  42          2HB       GLU  42   2.598 -10.047  -9.555
  294   2HB   GLU  42          1HB       GLU  42   2.695 -11.759  -9.172
  295   1HG   GLU  42          2HG       GLU  42   1.319 -10.860  -7.521
  296   2HG   GLU  42          1HG       GLU  42   2.891 -11.030  -6.737
  297    H    VAL  43           H        VAL  43   3.264  -8.530  -9.526
  298    HA   VAL  43           HA       VAL  43   5.527  -7.307 -10.913
  299    HB   VAL  43           HB       VAL  43   4.253  -8.932 -12.464
  300   1HG1  VAL  43          1HG1      VAL  43   2.002  -8.134 -11.772
  301   2HG1  VAL  43          2HG1      VAL  43   2.327  -6.627 -12.629
  302   3HG1  VAL  43          3HG1      VAL  43   2.264  -8.149 -13.515
  303   1HG2  VAL  43          1HG2      VAL  43   4.801  -7.670 -14.348
  304   2HG2  VAL  43          2HG2      VAL  43   4.451  -6.142 -13.541
  305   3HG2  VAL  43          3HG2      VAL  43   5.883  -7.069 -13.093
  306    H    GLY  44           H        GLY  44   4.656  -5.166 -12.046
  307   1HA   GLY  44          1HA       GLY  44   2.375  -3.910 -10.889
  308   2HA   GLY  44          2HA       GLY  44   3.851  -3.397 -10.089
  309    H    ARG  45           H        ARG  45   2.880  -1.300 -11.043
  310    HA   ARG  45           HA       ARG  45   4.437  -0.711 -13.414
  311   1HB   ARG  45          2HB       ARG  45   1.954  -1.365 -14.001
  312   2HB   ARG  45          1HB       ARG  45   1.618   0.276 -13.465
  313   1HG   ARG  45          2HG       ARG  45   3.696   0.732 -15.123
  314   2HG   ARG  45          1HG       ARG  45   2.982  -0.687 -15.893
  315   1HD   ARG  45          2HD       ARG  45   1.662   1.956 -15.298
  316   2HD   ARG  45          1HD       ARG  45   1.991   1.247 -16.878
  317    HE   ARG  45           HE       ARG  45   0.010   0.201 -14.949
  318   1HH1  ARG  45          2HH1      ARG  45   1.080   0.796 -18.237
  319   2HH1  ARG  45          1HH1      ARG  45  -0.312   0.044 -18.956
  320   1HH2  ARG  45          2HH2      ARG  45  -1.791  -0.816 -15.880
  321   2HH2  ARG  45          1HH2      ARG  45  -1.951  -0.882 -17.617
  322    H    ARG  46           H        ARG  46   1.834   0.900 -11.552
  323    HA   ARG  46           HA       ARG  46   3.581   3.238 -11.307
  324   1HB   ARG  46          2HB       ARG  46   0.822   3.387 -10.267
  325   2HB   ARG  46          1HB       ARG  46   1.719   4.533 -11.251
  326   1HG   ARG  46          2HG       ARG  46   0.940   3.686 -13.186
  327   2HG   ARG  46          1HG       ARG  46   0.947   2.027 -12.589
  328   1HD   ARG  46          2HD       ARG  46  -1.241   2.140 -12.241
  329   2HD   ARG  46          1HD       ARG  46  -0.993   3.468 -11.109
  330    HE   ARG  46           HE       ARG  46  -1.417   5.009 -12.854
  331   1HH1  ARG  46          2HH1      ARG  46  -1.721   1.673 -13.927
  332   2HH1  ARG  46          1HH1      ARG  46  -2.776   2.079 -15.256
  333   1HH2  ARG  46          2HH2      ARG  46  -2.799   5.521 -14.612
  334   2HH2  ARG  46          1HH2      ARG  46  -3.373   4.243 -15.649
  335    H    LEU  47           H        LEU  47   4.948   2.413  -9.695
  336    HA   LEU  47           HA       LEU  47   4.395   3.125  -7.089
  337   1HB   LEU  47          2HB       LEU  47   2.877   1.101  -7.151
  338   2HB   LEU  47          1HB       LEU  47   4.314   0.116  -7.367
  339    HG   LEU  47           HG       LEU  47   4.797   1.755  -5.117
  340   1HD1  LEU  47          1HD1      LEU  47   2.892   0.910  -3.672
  341   2HD1  LEU  47          2HD1      LEU  47   2.522   2.234  -4.778
  342   3HD1  LEU  47          3HD1      LEU  47   2.031   0.588  -5.177
  343   1HD2  LEU  47          1HD2      LEU  47   5.333  -0.229  -4.129
  344   2HD2  LEU  47          2HD2      LEU  47   3.946  -1.075  -4.817
  345   3HD2  LEU  47          3HD2      LEU  47   5.355  -0.730  -5.820
  346    H    TYR  48           H        TYR  48   6.291   3.084  -5.885
  347    HA   TYR  48           HA       TYR  48   8.621   2.447  -7.442
  348   1HB   TYR  48          2HB       TYR  48   8.665   4.487  -6.144
  349   2HB   TYR  48          1HB       TYR  48   8.381   3.586  -4.655
  350    HD1  TYR  48           1HD      TYR  48  10.220   3.181  -3.329
  351    HD2  TYR  48           2HD      TYR  48  10.755   3.538  -7.536
  352    HE1  TYR  48           1HE      TYR  48  12.640   2.866  -3.040
  353    HE2  TYR  48           2HE      TYR  48  13.184   3.222  -7.257
  354    HH   TYR  48           HH       TYR  48  14.858   3.000  -5.826
  355    H    TYR  49           H        TYR  49   8.832   0.320  -7.649
  356    HA   TYR  49           HA       TYR  49   9.655  -1.078  -5.209
  357   1HB   TYR  49          2HB       TYR  49   8.936  -3.214  -6.184
  358   2HB   TYR  49          1HB       TYR  49   7.573  -2.122  -5.959
  359    HD1  TYR  49           1HD      TYR  49   6.190  -1.497  -7.786
  360    HD2  TYR  49           2HD      TYR  49   9.866  -3.557  -8.484
  361    HE1  TYR  49           1HE      TYR  49   5.558  -1.838 -10.137
  362    HE2  TYR  49           2HE      TYR  49   9.230  -3.894 -10.837
  363    HH   TYR  49           HH       TYR  49   7.750  -3.442 -12.429
  364    H    LYS  50           H        LYS  50  11.377  -2.707  -5.714
  365    HA   LYS  50           HA       LYS  50  13.303  -1.374  -7.367
  366   1HB   LYS  50          2HB       LYS  50  13.284  -3.226  -5.165
  367   2HB   LYS  50          1HB       LYS  50  14.394  -3.781  -6.423
  368   1HG   LYS  50          2HG       LYS  50  14.810  -1.002  -6.097
  369   2HG   LYS  50          1HG       LYS  50  14.775  -1.735  -4.490
  370   1HD   LYS  50          2HD       LYS  50  16.561  -3.169  -4.981
  371   2HD   LYS  50          1HD       LYS  50  16.393  -2.926  -6.723
  372   1HE   LYS  50          2HE       LYS  50  17.583  -1.006  -6.699
  373   2HE   LYS  50          1HE       LYS  50  16.941  -0.506  -5.135
  374   1HZ   LYS  50          1HZ       LYS  50  19.263  -0.959  -4.922
  375   2HZ   LYS  50          2HZ       LYS  50  19.090  -2.496  -5.618
  376   3HZ   LYS  50          3HZ       LYS  50  18.410  -2.172  -4.098
  377    H    LEU  51           H        LEU  51  14.752  -2.616  -8.790
  378    HA   LEU  51           HA       LEU  51  13.894  -3.270 -11.139
  379   1HB   LEU  51          2HB       LEU  51  15.701  -5.375 -10.764
  380   2HB   LEU  51          1HB       LEU  51  16.036  -3.768 -11.379
  381    HG   LEU  51           HG       LEU  51  16.087  -3.304  -8.701
  382   1HD1  LEU  51          1HD1      LEU  51  16.966  -6.135  -9.166
  383   2HD1  LEU  51          2HD1      LEU  51  17.581  -5.164  -7.826
  384   3HD1  LEU  51          3HD1      LEU  51  15.855  -5.510  -7.946
  385   1HD2  LEU  51          1HD2      LEU  51  18.367  -2.973  -8.968
  386   2HD2  LEU  51          2HD2      LEU  51  18.526  -4.300 -10.119
  387   3HD2  LEU  51          3HD2      LEU  51  17.738  -2.798 -10.606
  388    H    GLY  52           H        GLY  52  14.278  -5.976  -8.864
  389   1HA   GLY  52          1HA       GLY  52  11.865  -7.181 -10.042
  390   2HA   GLY  52          2HA       GLY  52  13.330  -8.143  -9.900
  391    H    ARG  53           H        ARG  53  12.300  -5.758  -7.542
  392    HA   ARG  53           HA       ARG  53  11.203  -7.775  -5.791
  393   1HB   ARG  53          2HB       ARG  53  12.961  -6.537  -4.032
  394   2HB   ARG  53          1HB       ARG  53  13.067  -8.186  -4.624
  395   1HG   ARG  53          2HG       ARG  53  14.504  -7.406  -6.464
  396   2HG   ARG  53          1HG       ARG  53  14.444  -5.777  -5.789
  397   1HD   ARG  53          2HD       ARG  53  16.052  -6.261  -4.333
  398   2HD   ARG  53          1HD       ARG  53  15.154  -7.660  -3.745
  399    HE   ARG  53           HE       ARG  53  16.623  -7.995  -6.235
  400   1HH1  ARG  53          2HH1      ARG  53  16.472  -8.512  -2.775
  401   2HH1  ARG  53          1HH1      ARG  53  17.683  -9.758  -2.773
  402   1HH2  ARG  53          2HH2      ARG  53  18.264  -9.602  -6.240
  403   2HH2  ARG  53          1HH2      ARG  53  18.732 -10.356  -4.741
  404    H    LYS  54           H        LYS  54   9.415  -6.826  -5.159
  405    HA   LYS  54           HA       LYS  54   9.171  -3.968  -5.187
  406   1HB   LYS  54          2HB       LYS  54   7.151  -5.948  -4.146
  407   2HB   LYS  54          1HB       LYS  54   6.856  -4.323  -4.748
  408   1HG   LYS  54          2HG       LYS  54   8.090  -5.623  -6.865
  409   2HG   LYS  54          1HG       LYS  54   6.995  -6.827  -6.179
  410   1HD   LYS  54          2HD       LYS  54   6.114  -4.018  -6.782
  411   2HD   LYS  54          1HD       LYS  54   6.059  -5.298  -7.993
  412   1HE   LYS  54          2HE       LYS  54   4.840  -5.856  -5.346
  413   2HE   LYS  54          1HE       LYS  54   3.995  -4.732  -6.415
  414   1HZ   LYS  54          1HZ       LYS  54   3.510  -7.269  -6.539
  415   2HZ   LYS  54          2HZ       LYS  54   4.917  -7.309  -7.482
  416   3HZ   LYS  54          3HZ       LYS  54   3.602  -6.356  -7.965
  417    H    LEU  55           H        LEU  55  10.925  -3.740  -3.549
  418    HA   LEU  55           HA       LEU  55   9.967  -4.110  -0.798
  419   1HB   LEU  55          2HB       LEU  55  12.108  -4.321  -0.115
  420   2HB   LEU  55          1HB       LEU  55  12.361  -4.769  -1.787
  421    HG   LEU  55           HG       LEU  55  12.867  -2.021  -0.633
  422   1HD1  LEU  55          1HD1      LEU  55  14.691  -4.319  -1.276
  423   2HD1  LEU  55          2HD1      LEU  55  15.263  -2.661  -1.110
  424   3HD1  LEU  55          3HD1      LEU  55  14.502  -3.471   0.258
  425   1HD2  LEU  55          1HD2      LEU  55  13.868  -2.994  -3.272
  426   2HD2  LEU  55          2HD2      LEU  55  12.234  -2.343  -3.137
  427   3HD2  LEU  55          3HD2      LEU  55  13.620  -1.342  -2.704
  428    H    CYS  56           H        CYS  56  10.773  -2.155   0.692
  429    HA   CYS  56           HA       CYS  56   9.460   0.109  -0.559
  430   1HB   CYS  56          2HB       CYS  56   9.379   1.095   1.718
  431   2HB   CYS  56          1HB       CYS  56   8.565  -0.454   1.583
  432    H    ARG  57           H        ARG  57  10.163   2.269   0.150
  433    HA   ARG  57           HA       ARG  57  12.907   2.689  -0.688
  434   1HB   ARG  57          2HB       ARG  57  11.013   4.198  -1.346
  435   2HB   ARG  57          1HB       ARG  57  10.895   4.711   0.329
  436   1HG   ARG  57          2HG       ARG  57  12.101   6.390  -0.793
  437   2HG   ARG  57          1HG       ARG  57  13.295   5.480   0.137
  438   1HD   ARG  57          2HD       ARG  57  13.635   4.125  -2.008
  439   2HD   ARG  57          1HD       ARG  57  12.760   5.426  -2.814
  440    HE   ARG  57           HE       ARG  57  15.220   5.937  -1.267
  441   1HH1  ARG  57          2HH1      ARG  57  13.248   6.361  -4.134
  442   2HH1  ARG  57          1HH1      ARG  57  14.494   7.225  -5.003
  443   1HH2  ARG  57          2HH2      ARG  57  16.828   7.137  -2.397
  444   2HH2  ARG  57          1HH2      ARG  57  16.486   7.697  -4.010
  445    H    ARG  58           H        ARG  58  11.548   1.782   2.145
  446    HA   ARG  58           HA       ARG  58  13.261   3.447   3.831
  447   1HB   ARG  58          2HB       ARG  58  11.404   1.510   5.084
  448   2HB   ARG  58          1HB       ARG  58  11.777   3.168   5.532
  449   1HG   ARG  58          2HG       ARG  58  10.016   2.343   3.234
  450   2HG   ARG  58          1HG       ARG  58   9.451   2.886   4.813
  451   1HD   ARG  58          2HD       ARG  58  10.595   5.047   4.440
  452   2HD   ARG  58          1HD       ARG  58  11.066   4.492   2.832
  453    HE   ARG  58           HE       ARG  58   8.918   4.836   2.088
  454   1HH1  ARG  58          2HH1      ARG  58   9.035   5.217   5.568
  455   2HH1  ARG  58          1HH1      ARG  58   7.410   5.832   5.681
  456   1HH2  ARG  58          2HH2      ARG  58   6.817   5.685   2.216
  457   2HH2  ARG  58          1HH2      ARG  58   6.151   6.111   3.772
  458    H    ASP  59           H        ASP  59  12.464  -0.035   3.391
  459    HA   ASP  59           HA       ASP  59  14.675  -0.780   5.076
  460   1HB   ASP  59          2HB       ASP  59  14.233  -3.099   4.393
  461   2HB   ASP  59          1HB       ASP  59  12.787  -2.291   4.968
  462    H    TYR  60           H        TYR  60  14.262  -0.047   1.761
  463    HA   TYR  60           HA       TYR  60  16.691  -1.202   0.798
  464   1HB   TYR  60          2HB       TYR  60  15.491  -0.671  -1.055
  465   2HB   TYR  60          1HB       TYR  60  14.578   0.575  -0.217
  466    HD1  TYR  60           1HD      TYR  60  17.332  -0.139  -2.438
  467    HD2  TYR  60           2HD      TYR  60  15.533   2.885  -0.039
  468    HE1  TYR  60           1HE      TYR  60  18.607   1.582  -3.655
  469    HE2  TYR  60           2HE      TYR  60  16.794   4.608  -1.256
  470    HH   TYR  60           HH       TYR  60  18.396   5.012  -2.733
  471    H    LEU  61           H        LEU  61  15.729   1.759   2.352
  472    HA   LEU  61           HA       LEU  61  18.096   3.259   1.964
  473   1HB   LEU  61          2HB       LEU  61  15.593   3.684   3.039
  474   2HB   LEU  61          1HB       LEU  61  16.633   3.769   4.448
  475    HG   LEU  61           HG       LEU  61  16.113   5.965   3.338
  476   1HD1  LEU  61          1HD1      LEU  61  17.882   6.394   4.630
  477   2HD1  LEU  61          2HD1      LEU  61  18.732   4.938   4.119
  478   3HD1  LEU  61          3HD1      LEU  61  18.793   6.390   3.122
  479   1HD2  LEU  61          1HD2      LEU  61  16.559   6.364   1.197
  480   2HD2  LEU  61          2HD2      LEU  61  18.164   5.642   1.311
  481   3HD2  LEU  61          3HD2      LEU  61  16.755   4.619   1.027
  482    H    ARG  62           H        ARG  62  17.331   0.606   3.990
  483    HA   ARG  62           HA       ARG  62  19.152   1.075   6.108
  484   1HB   ARG  62          2HB       ARG  62  17.419  -1.068   5.242
  485   2HB   ARG  62          1HB       ARG  62  18.968  -1.690   5.796
  486   1HG   ARG  62          2HG       ARG  62  17.840  -1.663   7.771
  487   2HG   ARG  62          1HG       ARG  62  18.509  -0.027   7.803
  488   1HD   ARG  62          2HD       ARG  62  15.976  -0.255   6.378
  489   2HD   ARG  62          1HD       ARG  62  15.864  -0.662   8.090
  490    HE   ARG  62           HE       ARG  62  17.295   1.733   7.827
  491   1HH1  ARG  62          2HH1      ARG  62  14.032   0.482   7.512
  492   2HH1  ARG  62          1HH1      ARG  62  13.290   2.045   7.662
  493   1HH2  ARG  62          2HH2      ARG  62  16.301   3.793   8.008
  494   2HH2  ARG  62          1HH2      ARG  62  14.560   3.909   7.932
  495    H    LEU  63           H        LEU  63  19.469  -0.154   2.881
  496    HA   LEU  63           HA       LEU  63  22.286  -0.831   3.413
  497   1HB   LEU  63          2HB       LEU  63  21.812  -2.158   1.127
  498   2HB   LEU  63          1HB       LEU  63  21.606  -2.863   2.719
  499    HG   LEU  63           HG       LEU  63  19.189  -1.521   1.823
  500   1HD1  LEU  63          1HD1      LEU  63  19.974  -3.922   0.210
  501   2HD1  LEU  63          2HD1      LEU  63  18.608  -2.830  -0.023
  502   3HD1  LEU  63          3HD1      LEU  63  20.249  -2.276  -0.364
  503   1HD2  LEU  63          1HD2      LEU  63  18.941  -4.346   2.125
  504   2HD2  LEU  63          2HD2      LEU  63  19.986  -3.721   3.401
  505   3HD2  LEU  63          3HD2      LEU  63  18.365  -3.062   3.188
  506    H    GLY  64           H        GLY  64  20.198   0.102   0.665
  507   1HA   GLY  64          1HA       GLY  64  22.491   1.367  -0.613
  508   2HA   GLY  64          2HA       GLY  64  20.911   1.103  -1.332
  509    H    GLY  65           H        GLY  65  21.066   2.542   1.810
  510   1HA   GLY  65          1HA       GLY  65  20.262   5.098   0.596
  511   2HA   GLY  65          2HA       GLY  65  19.836   4.572   2.219
  512    H    SER  66           H        SER  66  21.049   5.225   3.854
  513    HA   SER  66           HA       SER  66  23.563   6.599   3.221
  514   1HB   SER  66          2HB       SER  66  22.988   7.480   5.707
  515   2HB   SER  66          1HB       SER  66  22.389   8.268   4.246
  516    HG   SER  66           HG       SER  66  20.450   7.770   4.848
  517    H    GLY  67           H        GLY  67  22.838   5.945   6.506
  518   1HA   GLY  67          1HA       GLY  67  25.060   4.030   6.589
  519   2HA   GLY  67          2HA       GLY  67  24.456   4.961   7.952
  520    H    GLY  68           H        GLY  68  21.653   4.209   6.932
  521   1HA   GLY  68          1HA       GLY  68  20.615   1.940   6.758
  522   2HA   GLY  68          2HA       GLY  68  21.635   1.508   8.122
  523    H    HIS  69           H        HIS  69  21.065   4.409   9.043
  524    HA   HIS  69           HA       HIS  69  19.116   3.794  10.959
  525   1HB   HIS  69          2HB       HIS  69  19.017   6.401  11.158
  526   2HB   HIS  69          1HB       HIS  69  20.474   5.543  11.625
  527    HD2  HIS  69           2HD      HIS  69  19.186   7.920   8.822
  528    HE1  HIS  69           1HE      HIS  69  23.387   7.557   8.499
  529    HE2  HIS  69           2HE      HIS  69  21.353   8.875   7.755
  530    H    MET  70           H        MET  70  17.279   5.641  11.212
  531    HA   MET  70           HA       MET  70  15.473   5.092   8.982
  532   1HB   MET  70          2HB       MET  70  14.987   6.338  11.691
  533   2HB   MET  70          1HB       MET  70  13.740   6.076  10.481
  534   1HG   MET  70          2HG       MET  70  15.074   3.621  10.834
  535   2HG   MET  70          1HG       MET  70  14.757   4.277  12.436
  536   1HE   MET  70          1HE       MET  70  12.253   1.457  11.537
  537   2HE   MET  70          2HE       MET  70  12.780   1.836   9.896
  538   3HE   MET  70          3HE       MET  70  13.963   1.731  11.204
  539    H    GLY  71           H        GLY  71  15.836   7.983  11.014
  540   1HA   GLY  71          1HA       GLY  71  16.114  10.192  10.477
  541   2HA   GLY  71          2HA       GLY  71  16.752   9.658   8.930
  542    H    SER  72           H        SER  72  14.817   8.612   7.571
  543    HA   SER  72           HA       SER  72  13.056   9.019   6.235
  544   1HB   SER  72          2HB       SER  72  11.679  10.396   8.523
  545   2HB   SER  72          1HB       SER  72  10.989   9.359   7.275
  546    HG   SER  72           HG       SER  72  12.282   8.691   9.643
  547    H    GLY  73           H        GLY  73  13.819  10.434   4.723
  548   1HA   GLY  73          1HA       GLY  73  12.588  12.601   4.002
  549   2HA   GLY  73          2HA       GLY  73  13.561  13.307   5.280
  550    H    GLY  74           H        GLY  74  15.739  13.621   4.970
  551   1HA   GLY  74          1HA       GLY  74  17.352  12.687   2.938
  552   2HA   GLY  74          2HA       GLY  74  16.520  14.097   2.288
  553    H    ASP  75           H        ASP  75  18.103  15.602   2.242
  554    HA   ASP  75           HA       ASP  75  19.806  16.015   4.564
  555   1HB   ASP  75          2HB       ASP  75  20.882  16.372   2.438
  556   2HB   ASP  75          1HB       ASP  75  19.600  17.463   1.916
  557    H    VAL  76           H        VAL  76  19.632  17.735   5.969
  558    HA   VAL  76           HA       VAL  76  16.991  18.837   6.211
  559    HB   VAL  76           HB       VAL  76  19.431  19.455   7.888
  560   1HG1  VAL  76          1HG1      VAL  76  17.921  20.289   9.528
  561   2HG1  VAL  76          2HG1      VAL  76  17.491  21.052   7.995
  562   3HG1  VAL  76          3HG1      VAL  76  16.519  19.717   8.619
  563   1HG2  VAL  76          1HG2      VAL  76  19.271  17.386   8.685
  564   2HG2  VAL  76          2HG2      VAL  76  17.665  17.791   9.291
  565   3HG2  VAL  76          3HG2      VAL  76  17.848  17.066   7.692
  566    H    MET  77           H        MET  77  16.639  20.228   4.558
  567    HA   MET  77           HA       MET  77  18.480  22.437   4.098
  568   1HB   MET  77          2HB       MET  77  15.908  22.298   2.634
  569   2HB   MET  77          1HB       MET  77  17.524  22.665   2.040
  570   1HG   MET  77          2HG       MET  77  18.044  20.478   1.688
  571   2HG   MET  77          1HG       MET  77  16.947  19.904   2.933
  572   1HE   MET  77          1HE       MET  77  16.205  21.751  -0.939
  573   2HE   MET  77          2HE       MET  77  17.699  20.978  -0.409
  574   3HE   MET  77          3HE       MET  77  16.548  20.084  -1.402
  575    H    VAL  78           H        VAL  78  17.268  24.638   3.675
  576    HA   VAL  78           HA       VAL  78  15.915  25.344   6.108
  577    HB   VAL  78           HB       VAL  78  15.644  27.576   5.129
  578   1HG1  VAL  78          1HG1      VAL  78  18.237  26.189   5.260
  579   2HG1  VAL  78          2HG1      VAL  78  18.241  27.747   4.434
  580   3HG1  VAL  78          3HG1      VAL  78  17.675  27.633   6.101
  581   1HG2  VAL  78          1HG2      VAL  78  16.401  28.117   2.918
  582   2HG2  VAL  78          2HG2      VAL  78  16.951  26.462   2.654
  583   3HG2  VAL  78          3HG2      VAL  78  15.228  26.804   2.803
  584    H    VAL  79           H        VAL  79  14.973  24.112   3.109
  585    HA   VAL  79           HA       VAL  79  12.140  24.651   3.714
  586    HB   VAL  79           HB       VAL  79  12.486  23.619   1.053
  587   1HG1  VAL  79          1HG1      VAL  79  10.509  24.771   1.855
  588   2HG1  VAL  79          2HG1      VAL  79  11.441  26.251   2.078
  589   3HG1  VAL  79          3HG1      VAL  79  11.188  25.605   0.457
  590   1HG2  VAL  79          1HG2      VAL  79  14.652  25.193   1.705
  591   2HG2  VAL  79          2HG2      VAL  79  14.062  24.866   0.077
  592   3HG2  VAL  79          3HG2      VAL  79  13.550  26.326   0.923
  593    H    GLY  80           H        GLY  80  14.012  22.580   4.722
  594   1HA   GLY  80          1HA       GLY  80  13.490  20.102   3.453
  595   2HA   GLY  80          2HA       GLY  80  14.095  20.319   5.091
  596    H    GLU  81           H        GLU  81  12.138  21.535   6.417
  597    HA   GLU  81           HA       GLU  81  10.180  21.223   7.518
  598   1HB   GLU  81          2HB       GLU  81   9.281  20.283   4.786
  599   2HB   GLU  81          1HB       GLU  81   8.197  20.635   6.125
  600   1HG   GLU  81          2HG       GLU  81  10.115  22.679   5.065
  601   2HG   GLU  81          1HG       GLU  81   8.523  22.435   4.349
  602    HA   PRO  82           HA       PRO  82   9.386  17.308   9.401
  603   1HB   PRO  82          2HB       PRO  82   6.946  17.039   7.673
  604   2HB   PRO  82          1HB       PRO  82   7.154  16.613   9.371
  605   1HG   PRO  82          2HG       PRO  82   6.002  18.912   8.701
  606   2HG   PRO  82          1HG       PRO  82   7.130  18.833  10.067
  607   1HD   PRO  82          2HD       PRO  82   7.495  20.053   7.402
  608   2HD   PRO  82          1HD       PRO  82   8.323  20.406   8.930
  609    H    THR  83           H        THR  83   8.205  16.976   6.109
  610    HA   THR  83           HA       THR  83   8.596  14.351   5.604
  611    HB   THR  83           HB       THR  83   9.431  15.827   3.275
  612    HG1  THR  83           1HG      THR  83   8.274  17.585   3.468
  613   1HG2  THR  83          1HG2      THR  83   7.054  14.224   4.143
  614   2HG2  THR  83          2HG2      THR  83   8.250  13.859   2.902
  615   3HG2  THR  83          3HG2      THR  83   7.030  15.099   2.612
  616    H    LEU  84           H        LEU  84  11.120  16.853   5.134
  617    HA   LEU  84           HA       LEU  84  13.016  14.704   4.530
  618   1HB   LEU  84          2HB       LEU  84  13.534  17.657   4.274
  619   2HB   LEU  84          1HB       LEU  84  14.404  16.338   3.513
  620    HG   LEU  84           HG       LEU  84  11.558  17.118   2.877
  621   1HD1  LEU  84          1HD1      LEU  84  13.106  17.530   0.638
  622   2HD1  LEU  84          2HD1      LEU  84  12.485  18.775   1.719
  623   3HD1  LEU  84          3HD1      LEU  84  14.113  18.140   1.952
  624   1HD2  LEU  84          1HD2      LEU  84  13.434  15.135   1.595
  625   2HD2  LEU  84          2HD2      LEU  84  11.957  14.770   2.487
  626   3HD2  LEU  84          3HD2      LEU  84  11.868  15.619   0.945
  627    H    MET  85           H        MET  85  13.817  13.887   6.386
  628    HA   MET  85           HA       MET  85  15.137  15.791   8.194
  629   1HB   MET  85          2HB       MET  85  13.058  14.691   9.135
  630   2HB   MET  85          1HB       MET  85  13.939  13.170   9.075
  631   1HG   MET  85          2HG       MET  85  15.542  13.936  10.647
  632   2HG   MET  85          1HG       MET  85  14.930  15.587  10.556
  633   1HE   MET  85          1HE       MET  85  13.431  12.055  12.927
  634   2HE   MET  85          2HE       MET  85  14.713  12.136  11.717
  635   3HE   MET  85          3HE       MET  85  14.942  12.887  13.296
  636    H    GLY  86           H        GLY  86  15.196  12.394   7.028
  637   1HA   GLY  86          1HA       GLY  86  18.128  12.492   7.212
  638   2HA   GLY  86          2HA       GLY  86  17.283  11.268   8.139
  639    H    GLY  87           H        GLY  87  16.034   9.663   6.937
  640   1HA   GLY  87          1HA       GLY  87  17.557   8.386   5.015
  641   2HA   GLY  87          2HA       GLY  87  15.867   8.024   5.340
  642    H    GLU  88           H        GLU  88  18.078   9.216   3.127
  643    HA   GLU  88           HA       GLU  88  16.498  11.108   1.798
  644   1HB   GLU  88          2HB       GLU  88  19.038   9.670   1.197
  645   2HB   GLU  88          1HB       GLU  88  18.245  10.537  -0.112
  646   1HG   GLU  88          2HG       GLU  88  18.285  12.253   2.125
  647   2HG   GLU  88          1HG       GLU  88  19.892  11.547   1.969
  648    H    PHE  89           H        PHE  89  14.655  10.696   0.825
  649    HA   PHE  89           HA       PHE  89  14.543   8.477  -1.098
  650   1HB   PHE  89          2HB       PHE  89  12.073   9.994  -0.497
  651   2HB   PHE  89          1HB       PHE  89  12.299   8.277  -0.784
  652    HD1  PHE  89           1HD      PHE  89  13.748   7.097   1.159
  653    HD2  PHE  89           2HD      PHE  89  11.328  10.575   1.602
  654    HE1  PHE  89           1HE      PHE  89  13.539   6.641   3.566
  655    HE2  PHE  89           2HE      PHE  89  11.111  10.117   4.006
  656    HZ   PHE  89           HZ       PHE  89  12.224   8.155   4.988
  657    H    GLY  90           H        GLY  90  13.506   9.058  -3.184
  658   1HA   GLY  90          1HA       GLY  90  13.016  11.705  -3.965
  659   2HA   GLY  90          2HA       GLY  90  14.708  11.361  -4.283
  660    H    ASP  91           H        ASP  91  11.609   9.638  -4.716
  661    HA   ASP  91           HA       ASP  91  12.490   9.041  -7.465
  662   1HB   ASP  91          2HB       ASP  91  10.733   7.104  -7.156
  663   2HB   ASP  91          1HB       ASP  91  12.369   6.933  -6.539
  664    H    GLU  92           H        GLU  92   9.339   8.483  -6.079
  665    HA   GLU  92           HA       GLU  92   8.205  10.738  -7.553
  666   1HB   GLU  92          2HB       GLU  92   6.258   8.962  -8.035
  667   2HB   GLU  92          1HB       GLU  92   7.572   9.249  -9.166
  668   1HG   GLU  92          2HG       GLU  92   8.777   7.332  -7.990
  669   2HG   GLU  92          1HG       GLU  92   7.218   6.966  -7.251
  670    H    ASP  93           H        ASP  93   6.822   7.935  -5.902
  671    HA   ASP  93           HA       ASP  93   6.160   9.585  -3.591
  672   1HB   ASP  93          2HB       ASP  93   4.229   9.189  -5.480
  673   2HB   ASP  93          1HB       ASP  93   3.971   7.790  -4.443
  674    H    GLU  94           H        GLU  94   8.023   7.438  -4.293
  675    HA   GLU  94           HA       GLU  94   8.668   5.311  -3.813
  676   1HB   GLU  94          2HB       GLU  94   8.447   5.019  -1.145
  677   2HB   GLU  94          1HB       GLU  94   9.690   5.980  -1.927
  678   1HG   GLU  94          2HG       GLU  94   9.038   7.603  -0.555
  679   2HG   GLU  94          1HG       GLU  94   7.663   7.787  -1.645
  680    H    ARG  95           H        ARG  95   6.759   4.826  -1.029
  681    HA   ARG  95           HA       ARG  95   5.211   2.802  -2.469
  682   1HB   ARG  95          2HB       ARG  95   6.395   2.296  -0.253
  683   2HB   ARG  95          1HB       ARG  95   5.149   3.280   0.505
  684   1HG   ARG  95          2HG       ARG  95   4.509   0.979   0.649
  685   2HG   ARG  95          1HG       ARG  95   3.436   1.791  -0.495
  686   1HD   ARG  95          2HD       ARG  95   3.932   0.101  -1.885
  687   2HD   ARG  95          1HD       ARG  95   5.477   0.932  -2.104
  688    HE   ARG  95           HE       ARG  95   5.009  -1.276  -0.205
  689   1HH1  ARG  95          2HH1      ARG  95   7.117   0.519  -2.356
  690   2HH1  ARG  95          1HH1      ARG  95   8.503  -0.471  -2.022
  691   1HH2  ARG  95          2HH2      ARG  95   6.823  -2.545   0.259
  692   2HH2  ARG  95          1HH2      ARG  95   8.337  -2.199  -0.500
  693    H    LEU  96           H        LEU  96   3.961   4.370  -3.577
  694    HA   LEU  96           HA       LEU  96   2.306   6.200  -2.147
  695   1HB   LEU  96          2HB       LEU  96   1.087   6.281  -4.417
  696   2HB   LEU  96          1HB       LEU  96   2.719   6.913  -4.312
  697    HG   LEU  96           HG       LEU  96   2.557   4.079  -5.078
  698   1HD1  LEU  96          1HD1      LEU  96   0.741   4.534  -6.413
  699   2HD1  LEU  96          2HD1      LEU  96   1.203   6.221  -6.647
  700   3HD1  LEU  96          3HD1      LEU  96   2.069   4.943  -7.499
  701   1HD2  LEU  96          1HD2      LEU  96   3.904   6.136  -6.709
  702   2HD2  LEU  96          2HD2      LEU  96   4.470   5.943  -5.047
  703   3HD2  LEU  96          3HD2      LEU  96   4.485   4.563  -6.148
  704    H    ILE  97           H        ILE  97   0.657   5.504  -0.902
  705    HA   ILE  97           HA       ILE  97  -1.164   3.536  -2.050
  706    HB   ILE  97           HB       ILE  97  -1.144   2.741   0.576
  707   1HG1  ILE  97          2HG1      ILE  97   1.640   2.191  -0.036
  708   2HG1  ILE  97          1HG1      ILE  97   1.347   3.913   0.164
  709   1HG2  ILE  97          1HG2      ILE  97  -0.207   0.643  -0.343
  710   2HG2  ILE  97          2HG2      ILE  97  -1.533   1.309  -1.305
  711   3HG2  ILE  97          3HG2      ILE  97   0.138   1.500  -1.845
  712   1HD1  ILE  97          1HD1      ILE  97   2.011   2.509   2.216
  713   2HD1  ILE  97          2HD1      ILE  97   0.696   3.673   2.372
  714   3HD1  ILE  97          3HD1      ILE  97   0.335   1.959   2.181
  715    H    THR  98           H        THR  98  -3.156   4.131  -1.802
  716    HA   THR  98           HA       THR  98  -3.847   6.038   0.285
  717    HB   THR  98           HB       THR  98  -6.104   5.664  -1.254
  718    HG1  THR  98           1HG      THR  98  -3.779   5.650  -2.935
  719   1HG2  THR  98          1HG2      THR  98  -5.763   7.896  -1.852
  720   2HG2  THR  98          2HG2      THR  98  -4.009   7.691  -1.911
  721   3HG2  THR  98          3HG2      THR  98  -4.840   7.714  -0.354
  722    H    ARG  99           H        ARG  99  -4.405   5.071   2.086
  723    HA   ARG  99           HA       ARG  99  -5.387   2.366   2.202
  724   1HB   ARG  99          2HB       ARG  99  -5.487   4.492   4.369
  725   2HB   ARG  99          1HB       ARG  99  -5.623   2.754   4.592
  726   1HG   ARG  99          2HG       ARG  99  -3.188   3.305   3.230
  727   2HG   ARG  99          1HG       ARG  99  -3.304   4.360   4.636
  728   1HD   ARG  99          2HD       ARG  99  -2.748   1.531   4.492
  729   2HD   ARG  99          1HD       ARG  99  -2.552   2.647   5.839
  730    HE   ARG  99           HE       ARG  99  -5.145   2.218   6.010
  731   1HH1  ARG  99          2HH1      ARG  99  -2.583  -0.090   5.336
  732   2HH1  ARG  99          1HH1      ARG  99  -3.386  -1.397   6.158
  733   1HH2  ARG  99          2HH2      ARG  99  -6.200   0.498   7.067
  734   2HH2  ARG  99          1HH2      ARG  99  -5.482  -1.091   7.066
  735    H    LEU 100           H        LEU 100  -7.288   2.298   0.974
  736    HA   LEU 100           HA       LEU 100  -9.311   4.307   1.529
  737   1HB   LEU 100          2HB       LEU 100  -8.423   3.283  -0.799
  738   2HB   LEU 100          1HB       LEU 100  -9.839   2.285  -0.541
  739    HG   LEU 100           HG       LEU 100 -10.790   4.821  -0.051
  740   1HD1  LEU 100          1HD1      LEU 100  -9.871   6.381  -1.421
  741   2HD1  LEU 100          2HD1      LEU 100  -8.422   5.426  -1.098
  742   3HD1  LEU 100          3HD1      LEU 100  -9.321   5.186  -2.597
  743   1HD2  LEU 100          1HD2      LEU 100 -11.489   2.758  -1.581
  744   2HD2  LEU 100          2HD2      LEU 100 -12.193   4.365  -1.770
  745   3HD2  LEU 100          3HD2      LEU 100 -10.894   3.840  -2.840
  746    H    GLU 101           H        GLU 101 -11.568   3.570   1.313
  747    HA   GLU 101           HA       GLU 101 -11.998   1.307   3.138
  748   1HB   GLU 101          2HB       GLU 101 -14.338   2.907   2.907
  749   2HB   GLU 101          1HB       GLU 101 -13.299   2.697   4.311
  750   1HG   GLU 101          2HG       GLU 101 -12.004   4.487   2.554
  751   2HG   GLU 101          1HG       GLU 101 -13.681   5.013   2.705
  752    H    ASN 102           H        ASN 102 -13.398  -0.304   2.584
  753    HA   ASN 102           HA       ASN 102 -14.001  -0.583  -0.211
  754   1HB   ASN 102          2HB       ASN 102 -13.443  -2.388   1.680
  755   2HB   ASN 102          1HB       ASN 102 -15.201  -2.415   1.811
  756   1HD2  ASN 102          1HD2      ASN 102 -14.064  -4.681   1.112
  757   2HD2  ASN 102          2HD2      ASN 102 -14.275  -5.019  -0.583
  758    H    THR 103           H        THR 103 -16.075  -0.751  -1.149
  759    HA   THR 103           HA       THR 103 -18.012   1.071  -0.220
  760    HB   THR 103           HB       THR 103 -18.304  -1.189  -2.209
  761    HG1  THR 103           1HG      THR 103 -17.907   1.591  -2.717
  762   1HG2  THR 103          1HG2      THR 103 -20.474  -0.477  -1.447
  763   2HG2  THR 103          2HG2      THR 103 -20.201   0.133  -3.082
  764   3HG2  THR 103          3HG2      THR 103 -20.049   1.217  -1.698
  765    H    GLN 104           H        GLN 104 -17.964  -2.462  -0.282
  766    HA   GLN 104           HA       GLN 104 -20.204  -2.658   1.556
  767   1HB   GLN 104          2HB       GLN 104 -18.382  -4.819   0.471
  768   2HB   GLN 104          1HB       GLN 104 -19.868  -5.077   1.373
  769   1HG   GLN 104          2HG       GLN 104 -19.845  -3.573  -1.218
  770   2HG   GLN 104          1HG       GLN 104 -19.950  -5.333  -1.163
  771   1HE2  GLN 104          1HE2      GLN 104 -21.642  -6.078   0.549
  772   2HE2  GLN 104          2HE2      GLN 104 -23.192  -5.286   0.423
  773    H    PHE 105           H        PHE 105 -18.478  -1.148   2.773
  774    HA   PHE 105           HA       PHE 105 -16.331  -2.245   4.146
  775   1HB   PHE 105          2HB       PHE 105 -16.398   0.073   4.211
  776   2HB   PHE 105          1HB       PHE 105 -18.116   0.118   4.572
  777    HD1  PHE 105           1HD      PHE 105 -18.795   0.662   6.691
  778    HD2  PHE 105           2HD      PHE 105 -14.864  -0.881   6.137
  779    HE1  PHE 105           1HE      PHE 105 -18.291   1.098   9.057
  780    HE2  PHE 105           2HE      PHE 105 -14.361  -0.453   8.504
  781    HZ   PHE 105           HZ       PHE 105 -16.073   0.537   9.967
  782    H    ASP 106           H        ASP 106 -19.526  -1.575   5.506
  783    HA   ASP 106           HA       ASP 106 -20.707  -2.391   7.255
  784   1HB   ASP 106          2HB       ASP 106 -21.097  -4.070   5.545
  785   2HB   ASP 106          1HB       ASP 106 -19.647  -4.925   6.018
  786    H    ALA 107           H        ALA 107 -18.407  -4.934   7.208
  787    HA   ALA 107           HA       ALA 107 -16.986  -5.865   8.725
  788   1HB   ALA 107          1HB       ALA 107 -16.887  -3.013   9.653
  789   2HB   ALA 107          2HB       ALA 107 -15.976  -4.287  10.466
  790   3HB   ALA 107          3HB       ALA 107 -15.672  -3.933   8.766
  791    H    ALA 108           H        ALA 108 -19.858  -5.889   9.172
  792    HA   ALA 108           HA       ALA 108 -19.810  -6.433  12.069
  793   1HB   ALA 108          1HB       ALA 108 -22.197  -5.884  12.175
  794   2HB   ALA 108          2HB       ALA 108 -21.238  -4.497  11.657
  795   3HB   ALA 108          3HB       ALA 108 -22.165  -5.422  10.475
  796    H    ASN 109           H        ASN 109 -21.349  -7.165   8.974
  797    HA   ASN 109           HA       ASN 109 -21.798  -9.942   9.848
  798   1HB   ASN 109          2HB       ASN 109 -23.652  -8.515   8.715
  799   2HB   ASN 109          1HB       ASN 109 -22.739  -8.772   7.232
  800   1HD2  ASN 109          1HD2      ASN 109 -24.735  -9.814   6.534
  801   2HD2  ASN 109          2HD2      ASN 109 -24.989 -11.488   6.939
  802    H    GLY 110           H        GLY 110 -20.204  -7.866   7.522
  803   1HA   GLY 110          1HA       GLY 110 -17.865  -8.911   7.104
  804   2HA   GLY 110          2HA       GLY 110 -18.822 -10.176   6.340
  805    H    ILE 111           H        ILE 111 -18.999  -9.992   4.227
  806    HA   ILE 111           HA       ILE 111 -18.465  -7.462   2.900
  807    HB   ILE 111           HB       ILE 111 -19.438  -9.871   1.415
  808   1HG1  ILE 111          2HG1      ILE 111 -16.523  -9.674   2.047
  809   2HG1  ILE 111          1HG1      ILE 111 -17.593 -10.387   3.250
  810   1HG2  ILE 111          1HG2      ILE 111 -17.383  -7.740   0.860
  811   2HG2  ILE 111          2HG2      ILE 111 -17.757  -9.079  -0.223
  812   3HG2  ILE 111          3HG2      ILE 111 -18.992  -7.876   0.150
  813   1HD1  ILE 111          1HD1      ILE 111 -18.138 -12.174   1.886
  814   2HD1  ILE 111          2HD1      ILE 111 -17.630 -11.338   0.419
  815   3HD1  ILE 111          3HD1      ILE 111 -16.424 -11.923   1.564
  816    H    ASP 112           H        ASP 112 -21.034  -8.616   4.442
  817    HA   ASP 112           HA       ASP 112 -23.048  -7.788   2.503
  818   1HB   ASP 112          2HB       ASP 112 -23.476  -9.880   3.713
  819   2HB   ASP 112          1HB       ASP 112 -23.362  -9.025   5.247
  820    H    ASP 113           H        ASP 113 -22.277  -5.604   2.609
  821    HA   ASP 113           HA       ASP 113 -22.210  -3.981   4.843
  822   1HB   ASP 113          2HB       ASP 113 -21.472  -2.635   3.205
  823   2HB   ASP 113          1HB       ASP 113 -22.248  -3.616   1.971
  824    H    GLU 114           H        GLU 114 -23.667  -2.816   5.988
  825    HA   GLU 114           HA       GLU 114 -26.502  -3.267   5.345
  826   1HB   GLU 114          2HB       GLU 114 -25.534  -4.335   7.480
  827   2HB   GLU 114          1HB       GLU 114 -25.442  -2.697   8.111
  828   1HG   GLU 114          2HG       GLU 114 -27.454  -3.802   8.874
  829   2HG   GLU 114          1HG       GLU 114 -27.851  -2.444   7.825
  Start of MODEL    9
    1   1H    GLY   1          1H        GLY   1 -17.783 -14.926 -12.556
    2   2H    GLY   1          2H        GLY   1 -18.275 -14.290 -14.049
    3   3H    GLY   1          3H        GLY   1 -18.799 -13.568 -12.606
    4   1HA   GLY   1          2HA       GLY   1 -16.038 -13.617 -13.679
    5   2HA   GLY   1          1HA       GLY   1 -17.087 -12.211 -13.526
    6    H    SER   2           H        SER   2 -14.609 -12.116 -12.416
    7    HA   SER   2           HA       SER   2 -15.095 -12.536  -9.547
    8   1HB   SER   2          2HB       SER   2 -12.348 -11.902 -10.293
    9   2HB   SER   2          1HB       SER   2 -12.969 -13.252  -9.348
   10    HG   SER   2           HG       SER   2 -12.200 -13.181 -11.947
   11    H    LEU   3           H        LEU   3 -14.255 -10.882  -8.080
   12    HA   LEU   3           HA       LEU   3 -14.928  -8.244  -9.012
   13   1HB   LEU   3          2HB       LEU   3 -13.985  -9.283  -6.340
   14   2HB   LEU   3          1HB       LEU   3 -14.368  -7.598  -6.635
   15    HG   LEU   3           HG       LEU   3 -16.584  -9.178  -7.486
   16   1HD1  LEU   3          1HD1      LEU   3 -16.964 -10.694  -5.887
   17   2HD1  LEU   3          2HD1      LEU   3 -15.232 -10.575  -5.570
   18   3HD1  LEU   3          3HD1      LEU   3 -16.372  -9.632  -4.609
   19   1HD2  LEU   3          1HD2      LEU   3 -16.683  -7.659  -4.954
   20   2HD2  LEU   3          2HD2      LEU   3 -16.196  -6.764  -6.393
   21   3HD2  LEU   3          3HD2      LEU   3 -17.750  -7.599  -6.358
   22    H    LEU   4           H        LEU   4 -12.468  -8.118  -6.687
   23    HA   LEU   4           HA       LEU   4 -10.529  -7.270  -8.736
   24   1HB   LEU   4          2HB       LEU   4 -10.329  -6.452  -5.866
   25   2HB   LEU   4          1HB       LEU   4  -9.653  -5.677  -7.288
   26    HG   LEU   4           HG       LEU   4 -12.563  -5.679  -7.311
   27   1HD1  LEU   4          1HD1      LEU   4 -11.941  -3.657  -5.449
   28   2HD1  LEU   4          2HD1      LEU   4 -12.990  -5.056  -5.225
   29   3HD1  LEU   4          3HD1      LEU   4 -11.279  -5.161  -4.814
   30   1HD2  LEU   4          1HD2      LEU   4 -12.153  -3.836  -8.490
   31   2HD2  LEU   4          2HD2      LEU   4 -11.199  -3.134  -7.183
   32   3HD2  LEU   4          3HD2      LEU   4 -10.437  -4.224  -8.342
   33    H    THR   5           H        THR   5  -8.264  -7.649  -8.166
   34    HA   THR   5           HA       THR   5  -7.871  -9.811  -6.243
   35    HB   THR   5           HB       THR   5  -6.027 -10.391  -8.218
   36    HG1  THR   5           1HG      THR   5  -8.580 -10.154  -9.474
   37   1HG2  THR   5          1HG2      THR   5  -6.832 -12.394  -7.686
   38   2HG2  THR   5          2HG2      THR   5  -8.337 -12.032  -8.534
   39   3HG2  THR   5          3HG2      THR   5  -8.163 -11.613  -6.829
   40    H    CYS   6           H        CYS   6  -6.206  -9.482  -4.962
   41    HA   CYS   6           HA       CYS   6  -4.711  -7.048  -5.268
   42   1HB   CYS   6          2HB       CYS   6  -4.949  -7.068  -3.054
   43   2HB   CYS   6          1HB       CYS   6  -5.637  -8.684  -3.121
   44    H    GLY   7           H        GLY   7  -2.494  -6.848  -5.429
   45   1HA   GLY   7          1HA       GLY   7  -1.210  -9.026  -6.818
   46   2HA   GLY   7          2HA       GLY   7  -0.540  -7.426  -6.545
   47    H    GLY   8           H        GLY   8  -1.554  -8.357  -3.603
   48   1HA   GLY   8          1HA       GLY   8   1.153  -9.081  -2.810
   49   2HA   GLY   8          2HA       GLY   8  -0.171  -8.657  -1.737
   50    H    CYS   9           H        CYS   9  -2.119 -10.435  -2.513
   51    HA   CYS   9           HA       CYS   9  -0.841 -13.027  -1.921
   52   1HB   CYS   9          2HB       CYS   9  -2.650 -13.606  -0.468
   53   2HB   CYS   9          1HB       CYS   9  -2.075 -12.015   0.013
   54    H    GLN  10           H        GLN  10  -3.296 -11.319  -3.690
   55    HA   GLN  10           HA       GLN  10  -4.516 -11.820  -5.520
   56   1HB   GLN  10          2HB       GLN  10  -2.159 -13.308  -5.817
   57   2HB   GLN  10          1HB       GLN  10  -3.468 -14.410  -6.226
   58   1HG   GLN  10          2HG       GLN  10  -3.701 -13.455  -8.201
   59   2HG   GLN  10          1HG       GLN  10  -3.959 -11.883  -7.449
   60   1HE2  GLN  10          1HE2      GLN  10  -2.059 -10.634  -6.905
   61   2HE2  GLN  10          2HE2      GLN  10  -0.643 -10.771  -7.909
   62    H    GLN  11           H        GLN  11  -5.236 -12.897  -2.812
   63    HA   GLN  11           HA       GLN  11  -6.694 -15.328  -3.399
   64   1HB   GLN  11          2HB       GLN  11  -7.340 -15.333  -1.129
   65   2HB   GLN  11          1HB       GLN  11  -5.694 -14.718  -1.137
   66   1HG   GLN  11          2HG       GLN  11  -6.319 -12.830  -0.169
   67   2HG   GLN  11          1HG       GLN  11  -7.578 -12.560  -1.372
   68   1HE2  GLN  11          1HE2      GLN  11  -7.206 -12.528   1.733
   69   2HE2  GLN  11          2HE2      GLN  11  -8.702 -13.214   2.279
   70    H    ASN  12           H        ASN  12  -7.177 -12.337  -4.392
   71    HA   ASN  12           HA       ASN  12  -8.937 -11.238  -5.335
   72   1HB   ASN  12          2HB       ASN  12 -10.178 -13.065  -6.064
   73   2HB   ASN  12          1HB       ASN  12 -10.396 -13.700  -4.438
   74   1HD2  ASN  12          1HD2      ASN  12 -12.183 -13.187  -3.331
   75   2HD2  ASN  12          2HD2      ASN  12 -13.419 -12.099  -3.894
   76    H    ILE  13           H        ILE  13  -9.988  -9.482  -4.627
   77    HA   ILE  13           HA       ILE  13 -10.083  -9.110  -1.741
   78    HB   ILE  13           HB       ILE  13 -10.644  -7.010  -3.803
   79   1HG1  ILE  13          2HG1      ILE  13  -7.931  -7.287  -2.600
   80   2HG1  ILE  13          1HG1      ILE  13  -8.360  -8.372  -3.916
   81   1HG2  ILE  13          1HG2      ILE  13 -10.683  -5.569  -2.099
   82   2HG2  ILE  13          2HG2      ILE  13 -10.814  -6.987  -1.057
   83   3HG2  ILE  13          3HG2      ILE  13  -9.233  -6.264  -1.371
   84   1HD1  ILE  13          1HD1      ILE  13  -8.307  -6.738  -5.464
   85   2HD1  ILE  13          2HD1      ILE  13  -8.922  -5.515  -4.351
   86   3HD1  ILE  13          3HD1      ILE  13  -7.224  -5.988  -4.288
   87    H    GLY  14           H        GLY  14 -11.879  -9.774  -0.803
   88   1HA   GLY  14          1HA       GLY  14 -14.449  -9.223  -2.153
   89   2HA   GLY  14          2HA       GLY  14 -14.176 -10.542  -1.019
   90    H    ASP  15           H        ASP  15 -12.548  -7.908   0.117
   91    HA   ASP  15           HA       ASP  15 -14.396  -7.473   2.256
   92   1HB   ASP  15          2HB       ASP  15 -11.883  -5.967   1.494
   93   2HB   ASP  15          1HB       ASP  15 -12.775  -5.748   3.000
   94    H    ARG  16           H        ARG  16 -14.737  -4.954   2.819
   95    HA   ARG  16           HA       ARG  16 -16.267  -3.954   0.552
   96   1HB   ARG  16          2HB       ARG  16 -17.463  -2.591   2.064
   97   2HB   ARG  16          1HB       ARG  16 -17.250  -4.130   2.879
   98   1HG   ARG  16          2HG       ARG  16 -15.934  -3.249   4.491
   99   2HG   ARG  16          1HG       ARG  16 -15.202  -2.073   3.399
  100   1HD   ARG  16          2HD       ARG  16 -17.474  -0.908   3.411
  101   2HD   ARG  16          1HD       ARG  16 -17.856  -1.926   4.798
  102    HE   ARG  16           HE       ARG  16 -15.502  -0.819   5.515
  103   1HH1  ARG  16          2HH1      ARG  16 -18.510   0.555   4.339
  104   2HH1  ARG  16          1HH1      ARG  16 -18.279   2.073   5.143
  105   1HH2  ARG  16          2HH2      ARG  16 -15.214   1.181   6.599
  106   2HH2  ARG  16          1HH2      ARG  16 -16.446   2.410   6.465
  107    H    TYR  17           H        TYR  17 -13.437  -3.185   2.420
  108    HA   TYR  17           HA       TYR  17 -13.013  -0.823   0.707
  109   1HB   TYR  17          2HB       TYR  17 -13.367  -0.749   3.423
  110   2HB   TYR  17          1HB       TYR  17 -11.615  -0.862   3.300
  111    HD1  TYR  17           1HD      TYR  17 -10.674   1.208   3.661
  112    HD2  TYR  17           2HD      TYR  17 -14.195   0.945   1.286
  113    HE1  TYR  17           1HE      TYR  17 -10.563   3.627   3.231
  114    HE2  TYR  17           2HE      TYR  17 -14.097   3.362   0.855
  115    HH   TYR  17           HH       TYR  17 -11.393   5.251   1.477
  116    H    PHE  18           H        PHE  18 -10.973  -0.608  -0.195
  117    HA   PHE  18           HA       PHE  18  -8.859  -2.408   0.627
  118   1HB   PHE  18          2HB       PHE  18  -8.591  -3.564  -1.412
  119   2HB   PHE  18          1HB       PHE  18 -10.297  -3.672  -1.030
  120    HD1  PHE  18           1HD      PHE  18  -8.057  -3.219  -3.587
  121    HD2  PHE  18           2HD      PHE  18 -11.704  -1.575  -2.114
  122    HE1  PHE  18           1HE      PHE  18  -8.587  -2.372  -5.831
  123    HE2  PHE  18           2HE      PHE  18 -12.238  -0.745  -4.358
  124    HZ   PHE  18           HZ       PHE  18 -10.679  -1.139  -6.218
  125    H    LEU  19           H        LEU  19  -6.954  -2.126  -1.013
  126    HA   LEU  19           HA       LEU  19  -6.678   0.763  -1.537
  127   1HB   LEU  19          2HB       LEU  19  -4.885  -1.218  -0.227
  128   2HB   LEU  19          1HB       LEU  19  -4.134   0.006  -1.226
  129    HG   LEU  19           HG       LEU  19  -6.048   0.799   0.946
  130   1HD1  LEU  19          1HD1      LEU  19  -4.684  -0.002   2.512
  131   2HD1  LEU  19          2HD1      LEU  19  -3.509  -0.521   1.303
  132   3HD1  LEU  19          3HD1      LEU  19  -3.457   1.124   1.935
  133   1HD2  LEU  19          1HD2      LEU  19  -5.460   2.851   0.338
  134   2HD2  LEU  19          2HD2      LEU  19  -3.753   2.467   0.558
  135   3HD2  LEU  19          3HD2      LEU  19  -4.534   2.159  -0.992
  136    H    LYS  20           H        LYS  20  -5.813   1.350  -3.513
  137    HA   LYS  20           HA       LYS  20  -4.382  -0.520  -5.139
  138   1HB   LYS  20          2HB       LYS  20  -6.090  -1.386  -6.294
  139   2HB   LYS  20          1HB       LYS  20  -7.239  -0.365  -5.450
  140   1HG   LYS  20          2HG       LYS  20  -5.715   0.855  -7.674
  141   2HG   LYS  20          1HG       LYS  20  -6.935  -0.334  -8.086
  142   1HD   LYS  20          2HD       LYS  20  -7.617   1.876  -6.200
  143   2HD   LYS  20          1HD       LYS  20  -7.579   2.186  -7.936
  144   1HE   LYS  20          2HE       LYS  20  -9.079  -0.167  -6.879
  145   2HE   LYS  20          1HE       LYS  20  -9.797   1.438  -6.779
  146   1HZ   LYS  20          1HZ       LYS  20  -8.708   0.529  -9.356
  147   2HZ   LYS  20          2HZ       LYS  20  -9.985   1.598  -9.043
  148   3HZ   LYS  20          3HZ       LYS  20 -10.213  -0.069  -8.844
  149    H    ALA  21           H        ALA  21  -3.309   0.552  -6.906
  150    HA   ALA  21           HA       ALA  21  -3.803   3.028  -7.969
  151   1HB   ALA  21          1HB       ALA  21  -1.786   3.534  -5.817
  152   2HB   ALA  21          2HB       ALA  21  -2.733   4.688  -6.758
  153   3HB   ALA  21          3HB       ALA  21  -3.510   3.733  -5.494
  154    H    ILE  22           H        ILE  22  -1.205   1.094  -6.592
  155    HA   ILE  22           HA       ILE  22   0.965   2.039  -7.920
  156    HB   ILE  22           HB       ILE  22   0.347  -0.807  -7.125
  157   1HG1  ILE  22          2HG1      ILE  22   1.944   1.436  -5.879
  158   2HG1  ILE  22          1HG1      ILE  22   0.486   0.682  -5.244
  159   1HG2  ILE  22          1HG2      ILE  22   3.156  -0.300  -7.314
  160   2HG2  ILE  22          2HG2      ILE  22   2.193  -1.551  -8.101
  161   3HG2  ILE  22          3HG2      ILE  22   2.390   0.026  -8.868
  162   1HD1  ILE  22          1HD1      ILE  22   1.712  -0.770  -4.119
  163   2HD1  ILE  22          2HD1      ILE  22   2.473  -1.323  -5.612
  164   3HD1  ILE  22          3HD1      ILE  22   3.171   0.026  -4.715
  165    H    ASP  23           H        ASP  23  -1.094  -0.606  -9.067
  166    HA   ASP  23           HA       ASP  23  -0.907   0.036 -11.802
  167   1HB   ASP  23          2HB       ASP  23   1.460  -0.962 -11.116
  168   2HB   ASP  23          1HB       ASP  23   0.603  -2.492 -11.244
  169    H    GLN  24           H        GLN  24  -1.717  -1.898  -9.175
  170    HA   GLN  24           HA       GLN  24  -3.925  -3.067 -10.619
  171   1HB   GLN  24          2HB       GLN  24  -3.478  -5.329  -9.702
  172   2HB   GLN  24          1HB       GLN  24  -2.250  -4.805 -10.843
  173   1HG   GLN  24          2HG       GLN  24  -1.565  -4.103  -8.123
  174   2HG   GLN  24          1HG       GLN  24  -1.827  -5.835  -8.317
  175   1HE2  GLN  24          1HE2      GLN  24   0.471  -3.562  -8.349
  176   2HE2  GLN  24          2HE2      GLN  24   1.624  -4.282  -9.435
  177    H    TYR  25           H        TYR  25  -5.101  -4.541  -8.778
  178    HA   TYR  25           HA       TYR  25  -5.647  -2.631  -6.652
  179   1HB   TYR  25          2HB       TYR  25  -7.032  -5.278  -6.871
  180   2HB   TYR  25          1HB       TYR  25  -7.663  -3.730  -6.312
  181    HD1  TYR  25           1HD      TYR  25  -8.136  -6.033  -8.728
  182    HD2  TYR  25           2HD      TYR  25  -7.319  -1.868  -8.403
  183    HE1  TYR  25           1HE      TYR  25  -9.137  -5.671 -10.944
  184    HE2  TYR  25           2HE      TYR  25  -8.330  -1.496 -10.618
  185    HH   TYR  25           HH       TYR  25  -9.411  -2.421 -12.346
  186    H    TRP  26           H        TRP  26  -5.605  -3.220  -4.430
  187    HA   TRP  26           HA       TRP  26  -3.891  -5.523  -3.804
  188   1HB   TRP  26          2HB       TRP  26  -3.655  -2.756  -2.592
  189   2HB   TRP  26          1HB       TRP  26  -2.692  -4.160  -2.155
  190    HD1  TRP  26           HD       TRP  26  -2.971  -1.414  -4.765
  191    HE1  TRP  26           1HE      TRP  26  -0.864  -1.463  -6.235
  192    HE3  TRP  26           3HE      TRP  26  -0.915  -5.789  -3.104
  193    HZ2  TRP  26           2HZ      TRP  26   1.363  -3.132  -6.653
  194    HZ3  TRP  26           3HZ      TRP  26   1.207  -6.540  -4.098
  195    HH2  TRP  26           HH       TRP  26   2.321  -5.233  -5.836
  196    H    HIS  27           H        HIS  27  -3.747  -5.160  -1.141
  197    HA   HIS  27           HA       HIS  27  -6.535  -5.196  -0.195
  198   1HB   HIS  27          2HB       HIS  27  -4.322  -7.114   0.255
  199   2HB   HIS  27          1HB       HIS  27  -5.227  -6.658   1.693
  200    HD2  HIS  27           2HD      HIS  27  -8.234  -6.795   0.719
  201    HE1  HIS  27           1HE      HIS  27  -7.212 -10.634  -0.753
  202    HE2  HIS  27           2HE      HIS  27  -9.098  -9.181   0.137
  203    H    GLU  28           H        GLU  28  -6.734  -4.460   2.070
  204    HA   GLU  28           HA       GLU  28  -5.371  -2.046   2.473
  205   1HB   GLU  28          2HB       GLU  28  -7.430  -3.614   3.822
  206   2HB   GLU  28          1HB       GLU  28  -6.428  -2.704   4.938
  207   1HG   GLU  28          2HG       GLU  28  -6.916  -0.654   3.660
  208   2HG   GLU  28          1HG       GLU  28  -7.980  -1.592   2.613
  209    H    ASP  29           H        ASP  29  -4.854  -5.262   3.841
  210    HA   ASP  29           HA       ASP  29  -2.564  -4.185   5.349
  211   1HB   ASP  29          2HB       ASP  29  -4.597  -5.310   6.511
  212   2HB   ASP  29          1HB       ASP  29  -3.874  -6.813   5.950
  213    H    CYS  30           H        CYS  30  -3.012  -5.638   2.546
  214    HA   CYS  30           HA       CYS  30  -1.127  -7.818   2.829
  215   1HB   CYS  30          2HB       CYS  30  -3.019  -6.896   0.787
  216   2HB   CYS  30          1HB       CYS  30  -1.512  -7.537   0.141
  217    H    LEU  31           H        LEU  31  -1.234  -4.620   1.399
  218    HA   LEU  31           HA       LEU  31   1.098  -4.707  -0.082
  219   1HB   LEU  31          2HB       LEU  31  -0.764  -2.715   0.786
  220   2HB   LEU  31          1HB       LEU  31   0.866  -2.088   0.944
  221    HG   LEU  31           HG       LEU  31  -0.083  -3.371  -1.603
  222   1HD1  LEU  31          1HD1      LEU  31  -1.592  -1.494  -0.916
  223   2HD1  LEU  31          2HD1      LEU  31  -0.189  -0.426  -1.002
  224   3HD1  LEU  31          3HD1      LEU  31  -0.754  -1.260  -2.451
  225   1HD2  LEU  31          1HD2      LEU  31   2.096  -1.378  -0.986
  226   2HD2  LEU  31          2HD2      LEU  31   2.322  -3.087  -1.348
  227   3HD2  LEU  31          3HD2      LEU  31   1.695  -1.999  -2.585
  228    H    SER  32           H        SER  32   2.803  -5.637   0.867
  229    HA   SER  32           HA       SER  32   4.328  -4.045   2.742
  230   1HB   SER  32          2HB       SER  32   4.365  -6.881   3.513
  231   2HB   SER  32          1HB       SER  32   4.261  -5.447   4.529
  232    HG   SER  32           HG       SER  32   2.047  -6.350   3.024
  233    H    CYS  33           H        CYS  33   6.623  -4.711   2.715
  234    HA   CYS  33           HA       CYS  33   7.390  -5.444   0.115
  235   1HB   CYS  33          2HB       CYS  33   9.617  -5.823   1.780
  236   2HB   CYS  33          1HB       CYS  33   9.256  -4.447   0.752
  237    H    ASP  34           H        ASP  34   9.087  -7.137  -0.301
  238    HA   ASP  34           HA       ASP  34   8.087  -9.726   0.488
  239   1HB   ASP  34          2HB       ASP  34   9.017  -9.115  -1.805
  240   2HB   ASP  34          1HB       ASP  34  10.608  -9.156  -1.061
  241    H    LEU  35           H        LEU  35  11.056  -7.868   0.905
  242    HA   LEU  35           HA       LEU  35  12.396  -9.834   2.421
  243   1HB   LEU  35          2HB       LEU  35  13.441  -7.936   1.155
  244   2HB   LEU  35          1HB       LEU  35  12.929  -6.868   2.449
  245    HG   LEU  35           HG       LEU  35  14.337  -8.067   4.037
  246   1HD1  LEU  35          1HD1      LEU  35  15.684  -9.905   3.482
  247   2HD1  LEU  35          2HD1      LEU  35  14.107 -10.273   2.783
  248   3HD1  LEU  35          3HD1      LEU  35  15.415  -9.692   1.752
  249   1HD2  LEU  35          1HD2      LEU  35  16.547  -7.510   3.029
  250   2HD2  LEU  35          2HD2      LEU  35  15.717  -7.201   1.505
  251   3HD2  LEU  35          3HD2      LEU  35  15.354  -6.215   2.922
  252    H    CYS  36           H        CYS  36  11.148  -6.674   3.577
  253    HA   CYS  36           HA       CYS  36  11.174  -7.678   6.292
  254   1HB   CYS  36          2HB       CYS  36   9.942  -5.051   5.796
  255   2HB   CYS  36          1HB       CYS  36  11.194  -5.509   6.945
  256    H    GLY  37           H        GLY  37   8.718  -6.014   4.334
  257   1HA   GLY  37          1HA       GLY  37   6.471  -6.423   4.092
  258   2HA   GLY  37          2HA       GLY  37   6.739  -8.001   4.823
  259    H    CYS  38           H        CYS  38   6.864  -4.598   5.863
  260    HA   CYS  38           HA       CYS  38   5.752  -5.331   8.442
  261   1HB   CYS  38          2HB       CYS  38   6.001  -2.472   7.774
  262   2HB   CYS  38          1HB       CYS  38   6.574  -3.353   9.187
  263    HG   CYS  38           HG       CYS  38   8.686  -2.064   7.710
  264    H    ARG  39           H        ARG  39   4.874  -2.504   6.507
  265    HA   ARG  39           HA       ARG  39   2.349  -3.334   5.660
  266   1HB   ARG  39          2HB       ARG  39   2.378  -2.823   8.430
  267   2HB   ARG  39          1HB       ARG  39   1.611  -1.423   7.695
  268   1HG   ARG  39          2HG       ARG  39   0.769  -4.243   7.095
  269   2HG   ARG  39          1HG       ARG  39   0.082  -3.288   8.410
  270   1HD   ARG  39          2HD       ARG  39   0.100  -2.441   5.517
  271   2HD   ARG  39          1HD       ARG  39  -1.254  -3.246   6.309
  272    HE   ARG  39           HE       ARG  39  -0.278  -0.524   6.869
  273   1HH1  ARG  39          2HH1      ARG  39  -2.669  -3.041   7.369
  274   2HH1  ARG  39          1HH1      ARG  39  -3.895  -1.943   7.935
  275   1HH2  ARG  39          2HH2      ARG  39  -1.860   0.909   7.676
  276   2HH2  ARG  39          1HH2      ARG  39  -3.432   0.305   8.115
  277    H    LEU  40           H        LEU  40   2.230  -2.080   3.921
  278    HA   LEU  40           HA       LEU  40   2.757   0.810   4.216
  279   1HB   LEU  40          2HB       LEU  40   2.789  -0.497   1.535
  280   2HB   LEU  40          1HB       LEU  40   3.632   0.938   2.076
  281    HG   LEU  40           HG       LEU  40   4.573  -1.502   3.385
  282   1HD1  LEU  40          1HD1      LEU  40   3.928  -2.334   1.097
  283   2HD1  LEU  40          2HD1      LEU  40   5.116  -1.214   0.437
  284   3HD1  LEU  40          3HD1      LEU  40   5.633  -2.516   1.512
  285   1HD2  LEU  40          1HD2      LEU  40   5.709   0.646   3.550
  286   2HD2  LEU  40          2HD2      LEU  40   6.742  -0.548   2.768
  287   3HD2  LEU  40          3HD2      LEU  40   5.927   0.677   1.799
  288    H    GLY  41           H        GLY  41   0.487   0.794   4.988
  289   1HA   GLY  41          1HA       GLY  41  -1.409   0.574   2.730
  290   2HA   GLY  41          2HA       GLY  41  -1.787  -0.001   4.348
  291    H    GLU  42           H        GLU  42  -0.282   3.026   3.273
  292    HA   GLU  42           HA       GLU  42  -2.326   4.503   4.771
  293   1HB   GLU  42          2HB       GLU  42  -0.809   6.469   4.309
  294   2HB   GLU  42          1HB       GLU  42  -0.129   5.213   5.334
  295   1HG   GLU  42          2HG       GLU  42   0.479   4.680   2.584
  296   2HG   GLU  42          1HG       GLU  42   0.971   6.318   3.019
  297    H    VAL  43           H        VAL  43  -2.042   6.949   3.234
  298    HA   VAL  43           HA       VAL  43  -3.181   6.103   0.649
  299    HB   VAL  43           HB       VAL  43  -4.569   8.308   0.877
  300   1HG1  VAL  43          1HG1      VAL  43  -5.084   5.575   1.402
  301   2HG1  VAL  43          2HG1      VAL  43  -5.982   6.524   2.586
  302   3HG1  VAL  43          3HG1      VAL  43  -6.211   6.819   0.862
  303   1HG2  VAL  43          1HG2      VAL  43  -3.370   8.179   3.444
  304   2HG2  VAL  43          2HG2      VAL  43  -4.531   9.355   2.834
  305   3HG2  VAL  43          3HG2      VAL  43  -5.098   7.894   3.639
  306    H    GLY  44           H        GLY  44  -0.611   7.487   1.960
  307   1HA   GLY  44          1HA       GLY  44   0.543   8.470  -0.257
  308   2HA   GLY  44          2HA       GLY  44  -0.430   9.836   0.268
  309    H    ARG  45           H        ARG  45   2.178   7.646   1.268
  310    HA   ARG  45           HA       ARG  45   3.546   9.852   2.472
  311   1HB   ARG  45          2HB       ARG  45   2.028   9.269   4.290
  312   2HB   ARG  45          1HB       ARG  45   2.569   7.614   4.229
  313   1HG   ARG  45          2HG       ARG  45   3.917   8.209   5.900
  314   2HG   ARG  45          1HG       ARG  45   4.917   8.915   4.626
  315   1HD   ARG  45          2HD       ARG  45   2.900  10.273   6.384
  316   2HD   ARG  45          1HD       ARG  45   4.628  10.606   6.238
  317    HE   ARG  45           HE       ARG  45   3.153  10.930   3.794
  318   1HH1  ARG  45          2HH1      ARG  45   4.027  12.525   6.792
  319   2HH1  ARG  45          1HH1      ARG  45   4.142  14.108   6.067
  320   1HH2  ARG  45          2HH2      ARG  45   3.287  13.008   2.844
  321   2HH2  ARG  45          1HH2      ARG  45   3.677  14.386   3.833
  322    H    ARG  46           H        ARG  46   4.018   6.566   3.626
  323    HA   ARG  46           HA       ARG  46   6.528   6.536   2.099
  324   1HB   ARG  46          2HB       ARG  46   6.217   4.463   4.135
  325   2HB   ARG  46          1HB       ARG  46   7.538   5.593   3.870
  326   1HG   ARG  46          2HG       ARG  46   6.844   6.926   5.506
  327   2HG   ARG  46          1HG       ARG  46   5.179   6.902   4.936
  328   1HD   ARG  46          2HD       ARG  46   6.540   4.862   6.685
  329   2HD   ARG  46          1HD       ARG  46   5.232   5.957   7.135
  330    HE   ARG  46           HE       ARG  46   3.911   4.700   5.366
  331   1HH1  ARG  46          2HH1      ARG  46   6.436   3.236   7.310
  332   2HH1  ARG  46          1HH1      ARG  46   5.813   1.624   7.124
  333   1HH2  ARG  46          2HH2      ARG  46   3.102   2.628   5.095
  334   2HH2  ARG  46          1HH2      ARG  46   3.895   1.271   5.863
  335    H    LEU  47           H        LEU  47   5.071   5.928   0.244
  336    HA   LEU  47           HA       LEU  47   4.792   2.999   0.204
  337   1HB   LEU  47          2HB       LEU  47   2.640   4.408  -0.035
  338   2HB   LEU  47          1HB       LEU  47   3.246   4.814  -1.629
  339    HG   LEU  47           HG       LEU  47   1.567   2.810  -1.255
  340   1HD1  LEU  47          1HD1      LEU  47   3.454   1.790  -3.126
  341   2HD1  LEU  47          2HD1      LEU  47   1.926   2.618  -3.427
  342   3HD1  LEU  47          3HD1      LEU  47   3.414   3.549  -3.253
  343   1HD2  LEU  47          1HD2      LEU  47   2.793   1.511   0.298
  344   2HD2  LEU  47          2HD2      LEU  47   2.876   0.662  -1.247
  345   3HD2  LEU  47          3HD2      LEU  47   4.258   1.598  -0.680
  346    H    TYR  48           H        TYR  48   6.299   2.103  -0.971
  347    HA   TYR  48           HA       TYR  48   7.103   3.336  -3.495
  348   1HB   TYR  48          2HB       TYR  48   9.279   2.065  -1.901
  349   2HB   TYR  48          1HB       TYR  48   9.359   3.395  -3.048
  350    HD1  TYR  48           1HD      TYR  48   8.915   5.709  -2.310
  351    HD2  TYR  48           2HD      TYR  48   8.864   2.456   0.442
  352    HE1  TYR  48           1HE      TYR  48   9.048   7.292  -0.444
  353    HE2  TYR  48           2HE      TYR  48   8.984   4.041   2.315
  354    HH   TYR  48           HH       TYR  48   8.561   7.434   1.887
  355    H    TYR  49           H        TYR  49   8.211   1.716  -4.915
  356    HA   TYR  49           HA       TYR  49   8.114  -1.031  -4.138
  357   1HB   TYR  49          2HB       TYR  49   6.219  -1.810  -5.095
  358   2HB   TYR  49          1HB       TYR  49   5.668  -0.150  -4.886
  359    HD1  TYR  49           1HD      TYR  49   6.004   1.439  -6.921
  360    HD2  TYR  49           2HD      TYR  49   6.164  -2.809  -7.182
  361    HE1  TYR  49           1HE      TYR  49   5.534   1.573  -9.333
  362    HE2  TYR  49           2HE      TYR  49   5.696  -2.681  -9.593
  363    HH   TYR  49           HH       TYR  49   6.074  -0.841 -11.456
  364    H    LYS  50           H        LYS  50   9.254  -2.361  -5.510
  365    HA   LYS  50           HA       LYS  50  11.074  -0.947  -7.242
  366   1HB   LYS  50          2HB       LYS  50  11.093  -3.409  -5.761
  367   2HB   LYS  50          1HB       LYS  50  11.532  -3.730  -7.432
  368   1HG   LYS  50          2HG       LYS  50  12.907  -1.972  -5.434
  369   2HG   LYS  50          1HG       LYS  50  13.562  -3.322  -6.362
  370   1HD   LYS  50          2HD       LYS  50  13.252  -1.966  -8.429
  371   2HD   LYS  50          1HD       LYS  50  12.771  -0.607  -7.411
  372   1HE   LYS  50          2HE       LYS  50  14.951  -0.668  -6.304
  373   2HE   LYS  50          1HE       LYS  50  15.426  -2.033  -7.317
  374   1HZ   LYS  50          1HZ       LYS  50  16.335  -0.275  -8.443
  375   2HZ   LYS  50          2HZ       LYS  50  15.080   0.795  -8.050
  376   3HZ   LYS  50          3HZ       LYS  50  14.838  -0.399  -9.230
  377    H    LEU  51           H        LEU  51  11.716  -2.038  -9.319
  378    HA   LEU  51           HA       LEU  51  10.072  -1.618 -11.320
  379   1HB   LEU  51          2HB       LEU  51  11.362  -3.045 -12.724
  380   2HB   LEU  51          1HB       LEU  51  12.418  -2.320 -11.531
  381    HG   LEU  51           HG       LEU  51  11.326  -5.108 -11.211
  382   1HD1  LEU  51          1HD1      LEU  51  14.091  -4.949 -12.046
  383   2HD1  LEU  51          2HD1      LEU  51  12.779  -5.955 -12.659
  384   3HD1  LEU  51          3HD1      LEU  51  12.989  -4.314 -13.269
  385   1HD2  LEU  51          1HD2      LEU  51  12.184  -4.553  -9.170
  386   2HD2  LEU  51          2HD2      LEU  51  13.648  -5.157  -9.956
  387   3HD2  LEU  51          3HD2      LEU  51  13.357  -3.419  -9.848
  388    H    GLY  52           H        GLY  52  10.088  -4.835  -9.719
  389   1HA   GLY  52          1HA       GLY  52   7.377  -5.202 -10.790
  390   2HA   GLY  52          2HA       GLY  52   8.588  -6.424 -11.128
  391    H    ARG  53           H        ARG  53   8.708  -4.851  -8.036
  392    HA   ARG  53           HA       ARG  53   7.058  -6.883  -6.793
  393   1HB   ARG  53          2HB       ARG  53   8.768  -7.756  -5.320
  394   2HB   ARG  53          1HB       ARG  53   9.241  -8.007  -6.992
  395   1HG   ARG  53          2HG       ARG  53  11.089  -6.789  -6.766
  396   2HG   ARG  53          1HG       ARG  53  10.262  -5.518  -5.888
  397   1HD   ARG  53          2HD       ARG  53  11.535  -6.233  -4.177
  398   2HD   ARG  53          1HD       ARG  53  10.262  -7.447  -4.017
  399    HE   ARG  53           HE       ARG  53  12.257  -8.232  -5.872
  400   1HH1  ARG  53          2HH1      ARG  53  11.680  -7.942  -2.430
  401   2HH1  ARG  53          1HH1      ARG  53  12.633  -9.338  -2.015
  402   1HH2  ARG  53          2HH2      ARG  53  13.514 -10.083  -5.333
  403   2HH2  ARG  53          1HH2      ARG  53  13.668 -10.551  -3.663
  404    H    LYS  54           H        LYS  54   6.493  -6.441  -4.647
  405    HA   LYS  54           HA       LYS  54   6.601  -3.630  -3.977
  406   1HB   LYS  54          2HB       LYS  54   5.484  -5.307  -1.892
  407   2HB   LYS  54          1HB       LYS  54   4.720  -4.030  -2.824
  408   1HG   LYS  54          2HG       LYS  54   3.633  -5.483  -4.115
  409   2HG   LYS  54          1HG       LYS  54   5.071  -6.479  -4.353
  410   1HD   LYS  54          2HD       LYS  54   4.656  -7.273  -1.936
  411   2HD   LYS  54          1HD       LYS  54   3.042  -6.594  -2.146
  412   1HE   LYS  54          2HE       LYS  54   2.562  -8.660  -2.910
  413   2HE   LYS  54          1HE       LYS  54   3.242  -8.032  -4.414
  414   1HZ   LYS  54          1HZ       LYS  54   5.453  -8.905  -3.338
  415   2HZ   LYS  54          2HZ       LYS  54   4.423  -9.949  -4.188
  416   3HZ   LYS  54          3HZ       LYS  54   4.396  -9.928  -2.495
  417    H    LEU  55           H        LEU  55   7.985  -2.704  -2.633
  418    HA   LEU  55           HA       LEU  55   9.113  -4.059  -0.385
  419   1HB   LEU  55          2HB       LEU  55  11.171  -4.562  -1.106
  420   2HB   LEU  55          1HB       LEU  55  10.478  -4.467  -2.709
  421    HG   LEU  55           HG       LEU  55  11.890  -2.169  -1.350
  422   1HD1  LEU  55          1HD1      LEU  55  13.864  -2.802  -2.313
  423   2HD1  LEU  55          2HD1      LEU  55  13.167  -4.387  -1.986
  424   3HD1  LEU  55          3HD1      LEU  55  13.075  -3.702  -3.608
  425   1HD2  LEU  55          1HD2      LEU  55  10.162  -1.856  -3.287
  426   2HD2  LEU  55          2HD2      LEU  55  11.708  -1.009  -3.331
  427   3HD2  LEU  55          3HD2      LEU  55  11.475  -2.470  -4.292
  428    H    CYS  56           H        CYS  56  10.423  -2.502   0.964
  429    HA   CYS  56           HA       CYS  56   9.281   0.148   0.608
  430   1HB   CYS  56          2HB       CYS  56  10.133   0.677   2.829
  431   2HB   CYS  56          1HB       CYS  56   9.188  -0.801   2.854
  432    H    ARG  57           H        ARG  57  10.875   1.916   1.477
  433    HA   ARG  57           HA       ARG  57  13.021   1.994  -0.483
  434   1HB   ARG  57          2HB       ARG  57  11.424   3.944   0.091
  435   2HB   ARG  57          1HB       ARG  57  12.429   4.160   1.518
  436   1HG   ARG  57          2HG       ARG  57  13.342   5.652   0.012
  437   2HG   ARG  57          1HG       ARG  57  14.393   4.245  -0.149
  438   1HD   ARG  57          2HD       ARG  57  13.392   3.605  -2.188
  439   2HD   ARG  57          1HD       ARG  57  12.026   4.695  -1.949
  440    HE   ARG  57           HE       ARG  57  14.594   6.017  -2.103
  441   1HH1  ARG  57          2HH1      ARG  57  11.981   4.697  -4.039
  442   2HH1  ARG  57          1HH1      ARG  57  12.166   5.878  -5.308
  443   1HH2  ARG  57          2HH2      ARG  57  14.831   7.555  -3.747
  444   2HH2  ARG  57          1HH2      ARG  57  13.747   7.548  -5.111
  445    H    ARG  58           H        ARG  58  12.676   0.874   2.617
  446    HA   ARG  58           HA       ARG  58  15.378   1.621   3.449
  447   1HB   ARG  58          2HB       ARG  58  13.951  -0.333   5.114
  448   2HB   ARG  58          1HB       ARG  58  14.777   1.146   5.576
  449   1HG   ARG  58          2HG       ARG  58  12.130   1.285   4.209
  450   2HG   ARG  58          1HG       ARG  58  12.223   0.921   5.932
  451   1HD   ARG  58          2HD       ARG  58  13.179   2.995   6.435
  452   2HD   ARG  58          1HD       ARG  58  13.648   3.285   4.759
  453    HE   ARG  58           HE       ARG  58  10.804   3.185   5.519
  454   1HH1  ARG  58          2HH1      ARG  58  13.549   4.970   4.255
  455   2HH1  ARG  58          1HH1      ARG  58  12.574   6.269   3.639
  456   1HH2  ARG  58          2HH2      ARG  58   9.531   4.850   4.698
  457   2HH2  ARG  58          1HH2      ARG  58  10.266   6.185   3.857
  458    H    ASP  59           H        ASP  59  13.456  -1.321   2.849
  459    HA   ASP  59           HA       ASP  59  15.817  -2.947   2.913
  460   1HB   ASP  59          2HB       ASP  59  14.461  -4.766   2.841
  461   2HB   ASP  59          1HB       ASP  59  13.319  -3.582   3.442
  462    H    TYR  60           H        TYR  60  14.384  -0.998   0.577
  463    HA   TYR  60           HA       TYR  60  15.563  -2.306  -1.717
  464   1HB   TYR  60          2HB       TYR  60  14.031  -0.943  -2.664
  465   2HB   TYR  60          1HB       TYR  60  13.924   0.071  -1.234
  466    HD1  TYR  60           1HD      TYR  60  15.163   2.124  -1.073
  467    HD2  TYR  60           2HD      TYR  60  15.656  -0.423  -4.446
  468    HE1  TYR  60           1HE      TYR  60  16.295   3.943  -2.274
  469    HE2  TYR  60           2HE      TYR  60  16.807   1.389  -5.649
  470    HH   TYR  60           HH       TYR  60  18.212   3.653  -4.685
  471    H    LEU  61           H        LEU  61  16.347   0.262   0.547
  472    HA   LEU  61           HA       LEU  61  18.826   0.995  -0.673
  473   1HB   LEU  61          2HB       LEU  61  17.150   1.952   1.373
  474   2HB   LEU  61          1HB       LEU  61  18.682   1.587   2.146
  475    HG   LEU  61           HG       LEU  61  19.743   3.331   1.160
  476   1HD1  LEU  61          1HD1      LEU  61  17.950   3.168  -1.251
  477   2HD1  LEU  61          2HD1      LEU  61  19.442   4.094  -1.087
  478   3HD1  LEU  61          3HD1      LEU  61  19.495   2.331  -1.101
  479   1HD2  LEU  61          1HD2      LEU  61  17.622   4.173   2.220
  480   2HD2  LEU  61          2HD2      LEU  61  18.369   5.249   1.037
  481   3HD2  LEU  61          3HD2      LEU  61  16.952   4.294   0.592
  482    H    ARG  62           H        ARG  62  17.784  -1.491   1.411
  483    HA   ARG  62           HA       ARG  62  20.166  -2.040   2.807
  484   1HB   ARG  62          2HB       ARG  62  17.553  -3.191   2.539
  485   2HB   ARG  62          1HB       ARG  62  18.759  -4.464   2.415
  486   1HG   ARG  62          2HG       ARG  62  18.426  -4.445   4.662
  487   2HG   ARG  62          1HG       ARG  62  19.744  -3.279   4.543
  488   1HD   ARG  62          2HD       ARG  62  17.690  -1.604   4.246
  489   2HD   ARG  62          1HD       ARG  62  16.882  -2.857   5.190
  490    HE   ARG  62           HE       ARG  62  19.398  -1.627   6.102
  491   1HH1  ARG  62          2HH1      ARG  62  16.001  -2.341   6.618
  492   2HH1  ARG  62          1HH1      ARG  62  16.063  -1.994   8.327
  493   1HH2  ARG  62          2HH2      ARG  62  19.479  -1.207   8.352
  494   2HH2  ARG  62          1HH2      ARG  62  18.040  -1.387   9.315
  495    H    LEU  63           H        LEU  63  19.053  -2.915  -0.388
  496    HA   LEU  63           HA       LEU  63  21.550  -4.431  -0.764
  497   1HB   LEU  63          2HB       LEU  63  19.943  -5.375  -2.749
  498   2HB   LEU  63          1HB       LEU  63  20.229  -6.173  -1.216
  499    HG   LEU  63           HG       LEU  63  18.068  -4.268  -0.989
  500   1HD1  LEU  63          1HD1      LEU  63  16.465  -5.503  -2.405
  501   2HD1  LEU  63          2HD1      LEU  63  17.698  -4.657  -3.338
  502   3HD1  LEU  63          3HD1      LEU  63  17.814  -6.401  -3.101
  503   1HD2  LEU  63          1HD2      LEU  63  17.830  -5.794   0.627
  504   2HD2  LEU  63          2HD2      LEU  63  17.049  -6.780  -0.610
  505   3HD2  LEU  63          3HD2      LEU  63  18.761  -7.007  -0.251
  506    H    GLY  64           H        GLY  64  19.109  -2.470  -2.452
  507   1HA   GLY  64          1HA       GLY  64  21.016  -1.973  -4.610
  508   2HA   GLY  64          2HA       GLY  64  19.317  -1.521  -4.599
  509    H    GLY  65           H        GLY  65  21.162  -0.806  -1.794
  510   1HA   GLY  65          1HA       GLY  65  21.390   2.005  -2.670
  511   2HA   GLY  65          2HA       GLY  65  20.873   1.565  -1.046
  512    H    SER  66           H        SER  66  22.391   0.730   0.425
  513    HA   SER  66           HA       SER  66  25.146   1.453  -0.212
  514   1HB   SER  66          2HB       SER  66  24.529   0.363   2.466
  515   2HB   SER  66          1HB       SER  66  25.437   1.811   2.016
  516    HG   SER  66           HG       SER  66  23.332   2.756   1.492
  517    H    GLY  67           H        GLY  67  25.288  -0.821   2.179
  518   1HA   GLY  67          1HA       GLY  67  25.710  -3.003   0.233
  519   2HA   GLY  67          2HA       GLY  67  26.817  -2.703   1.569
  520    H    GLY  68           H        GLY  68  25.338  -2.408   3.724
  521   1HA   GLY  68          1HA       GLY  68  23.331  -4.538   3.818
  522   2HA   GLY  68          2HA       GLY  68  24.781  -4.751   4.790
  523    H    HIS  69           H        HIS  69  24.453  -1.558   4.824
  524    HA   HIS  69           HA       HIS  69  23.334  -1.559   7.461
  525   1HB   HIS  69          2HB       HIS  69  25.180   0.000   6.252
  526   2HB   HIS  69          1HB       HIS  69  23.769   1.032   6.110
  527    HD2  HIS  69           2HD      HIS  69  25.334  -0.993   9.127
  528    HE1  HIS  69           1HE      HIS  69  24.094   2.853  10.386
  529    HE2  HIS  69           2HE      HIS  69  25.330   0.742  11.061
  530    H    MET  70           H        MET  70  22.265   1.206   7.036
  531    HA   MET  70           HA       MET  70  19.535   0.353   6.575
  532   1HB   MET  70          2HB       MET  70  20.747   2.932   7.556
  533   2HB   MET  70          1HB       MET  70  19.021   2.733   7.294
  534   1HG   MET  70          2HG       MET  70  19.871   0.560   8.872
  535   2HG   MET  70          1HG       MET  70  20.598   2.015   9.553
  536   1HE   MET  70          1HE       MET  70  19.393   4.121   9.937
  537   2HE   MET  70          2HE       MET  70  17.768   4.213  10.617
  538   3HE   MET  70          3HE       MET  70  19.049   3.381  11.501
  539    H    GLY  71           H        GLY  71  21.330   3.241   5.532
  540   1HA   GLY  71          1HA       GLY  71  21.494   3.764   3.122
  541   2HA   GLY  71          2HA       GLY  71  19.877   3.082   2.960
  542    H    SER  72           H        SER  72  18.740   4.186   5.268
  543    HA   SER  72           HA       SER  72  18.111   6.833   4.388
  544   1HB   SER  72          2HB       SER  72  17.436   5.403   6.982
  545   2HB   SER  72          1HB       SER  72  16.719   6.920   6.441
  546    HG   SER  72           HG       SER  72  16.520   4.372   5.181
  547    H    GLY  73           H        GLY  73  19.679   8.315   4.523
  548   1HA   GLY  73          1HA       GLY  73  21.606   8.211   6.678
  549   2HA   GLY  73          2HA       GLY  73  21.642   9.291   5.291
  550    H    GLY  74           H        GLY  74  21.593   9.366   8.465
  551   1HA   GLY  74          1HA       GLY  74  21.344  11.423   9.666
  552   2HA   GLY  74          2HA       GLY  74  20.084  11.892   8.529
  553    H    ASP  75           H        ASP  75  18.108  10.515   8.551
  554    HA   ASP  75           HA       ASP  75  17.657   8.999  10.965
  555   1HB   ASP  75          2HB       ASP  75  16.997  11.512  11.350
  556   2HB   ASP  75          1HB       ASP  75  15.584  11.086  10.388
  557    H    VAL  76           H        VAL  76  15.598   7.813  10.861
  558    HA   VAL  76           HA       VAL  76  15.003   7.049   8.109
  559    HB   VAL  76           HB       VAL  76  13.374   5.795  10.203
  560   1HG1  VAL  76          1HG1      VAL  76  13.237   4.377   8.500
  561   2HG1  VAL  76          2HG1      VAL  76  14.577   5.163   7.663
  562   3HG1  VAL  76          3HG1      VAL  76  14.898   3.893   8.844
  563   1HG2  VAL  76          1HG2      VAL  76  15.649   4.348  10.604
  564   2HG2  VAL  76          2HG2      VAL  76  16.273   5.996  10.567
  565   3HG2  VAL  76          3HG2      VAL  76  15.009   5.557  11.719
  566    H    MET  77           H        MET  77  12.897   7.163   7.230
  567    HA   MET  77           HA       MET  77  11.555   9.545   7.862
  568   1HB   MET  77          2HB       MET  77  10.515   7.259   6.188
  569   2HB   MET  77          1HB       MET  77   9.983   8.935   6.130
  570   1HG   MET  77          2HG       MET  77  12.179   9.613   5.337
  571   2HG   MET  77          1HG       MET  77  12.726   7.943   5.415
  572   1HE   MET  77          1HE       MET  77   9.675   9.927   2.864
  573   2HE   MET  77          2HE       MET  77  10.869  10.620   3.962
  574   3HE   MET  77          3HE       MET  77  11.294  10.311   2.279
  575    H    VAL  78           H        VAL  78  10.749   9.611   9.905
  576    HA   VAL  78           HA       VAL  78   8.610   7.692  10.522
  577    HB   VAL  78           HB       VAL  78  10.826   7.695  11.923
  578   1HG1  VAL  78          1HG1      VAL  78  10.002  10.317  12.396
  579   2HG1  VAL  78          2HG1      VAL  78   9.646   9.443  13.886
  580   3HG1  VAL  78          3HG1      VAL  78  11.283   9.433  13.227
  581   1HG2  VAL  78          1HG2      VAL  78   9.388   7.229  14.008
  582   2HG2  VAL  78          2HG2      VAL  78   8.016   7.527  12.940
  583   3HG2  VAL  78          3HG2      VAL  78   9.153   6.229  12.576
  584    H    VAL  79           H        VAL  79   9.505  10.929  10.105
  585    HA   VAL  79           HA       VAL  79   7.041  11.924  11.326
  586    HB   VAL  79           HB       VAL  79   8.208  14.168  10.669
  587   1HG1  VAL  79          1HG1      VAL  79   7.779  13.757  12.930
  588   2HG1  VAL  79          2HG1      VAL  79   8.903  12.400  12.983
  589   3HG1  VAL  79          3HG1      VAL  79   9.516  14.048  12.860
  590   1HG2  VAL  79          1HG2      VAL  79  10.720  12.651  11.137
  591   2HG2  VAL  79          2HG2      VAL  79  10.044  12.704   9.509
  592   3HG2  VAL  79          3HG2      VAL  79  10.471  14.202  10.334
  593    H    GLY  80           H        GLY  80   7.684  10.544   8.612
  594   1HA   GLY  80          1HA       GLY  80   6.494  10.583   6.620
  595   2HA   GLY  80          2HA       GLY  80   5.866  12.168   7.054
  596    H    GLU  81           H        GLU  81   7.886  13.784   7.292
  597    HA   GLU  81           HA       GLU  81   9.500  13.485   4.853
  598   1HB   GLU  81          2HB       GLU  81   9.178  16.115   4.786
  599   2HB   GLU  81          1HB       GLU  81   8.033  15.024   4.021
  600   1HG   GLU  81          2HG       GLU  81   7.358  15.487   6.787
  601   2HG   GLU  81          1HG       GLU  81   7.475  16.999   5.886
  602    HA   PRO  82           HA       PRO  82  12.425  14.808   8.079
  603   1HB   PRO  82          2HB       PRO  82  14.073  12.712   7.970
  604   2HB   PRO  82          1HB       PRO  82  12.507  12.586   8.782
  605   1HG   PRO  82          2HG       PRO  82  13.375  11.485   6.173
  606   2HG   PRO  82          1HG       PRO  82  12.146  10.883   7.296
  607   1HD   PRO  82          2HD       PRO  82  11.753  12.472   4.942
  608   2HD   PRO  82          1HD       PRO  82  10.526  11.911   6.094
  609    H    THR  83           H        THR  83  15.103  14.273   7.685
  610    HA   THR  83           HA       THR  83  15.646  15.500   5.075
  611    HB   THR  83           HB       THR  83  18.010  15.664   6.491
  612    HG1  THR  83           1HG      THR  83  16.652  14.999   8.380
  613   1HG2  THR  83          1HG2      THR  83  15.792  17.704   6.418
  614   2HG2  THR  83          2HG2      THR  83  16.930  17.399   5.105
  615   3HG2  THR  83          3HG2      THR  83  17.509  18.033   6.646
  616    H    LEU  84           H        LEU  84  17.073  14.560   3.682
  617    HA   LEU  84           HA       LEU  84  17.835  11.812   4.389
  618   1HB   LEU  84          2HB       LEU  84  17.947  12.161   1.590
  619   2HB   LEU  84          1HB       LEU  84  16.824  11.185   2.515
  620    HG   LEU  84           HG       LEU  84  16.283  14.104   2.168
  621   1HD1  LEU  84          1HD1      LEU  84  15.736  11.949   0.134
  622   2HD1  LEU  84          2HD1      LEU  84  15.010  13.558   0.118
  623   3HD1  LEU  84          3HD1      LEU  84  16.753  13.377  -0.074
  624   1HD2  LEU  84          1HD2      LEU  84  14.711  11.630   2.745
  625   2HD2  LEU  84          2HD2      LEU  84  14.723  13.176   3.595
  626   3HD2  LEU  84          3HD2      LEU  84  13.917  13.034   2.033
  627    H    MET  85           H        MET  85  19.884  11.893   5.062
  628    HA   MET  85           HA       MET  85  21.817  13.513   3.563
  629   1HB   MET  85          2HB       MET  85  21.522  13.457   6.175
  630   2HB   MET  85          1HB       MET  85  22.507  12.006   6.057
  631   1HG   MET  85          2HG       MET  85  23.806  13.937   4.507
  632   2HG   MET  85          1HG       MET  85  23.299  14.757   5.983
  633   1HE   MET  85          1HE       MET  85  26.119  14.964   7.136
  634   2HE   MET  85          2HE       MET  85  27.111  13.879   6.161
  635   3HE   MET  85          3HE       MET  85  25.922  14.925   5.383
  636    H    GLY  86           H        GLY  86  20.611  10.634   3.133
  637   1HA   GLY  86          1HA       GLY  86  23.140   9.546   2.123
  638   2HA   GLY  86          2HA       GLY  86  22.111   8.512   3.109
  639    H    GLY  87           H        GLY  87  20.292   7.614   2.248
  640   1HA   GLY  87          1HA       GLY  87  20.014   7.602  -0.615
  641   2HA   GLY  87          2HA       GLY  87  18.959   6.802   0.548
  642    H    GLU  88           H        GLU  88  18.975   9.089  -1.778
  643    HA   GLU  88           HA       GLU  88  17.346  11.042  -0.408
  644   1HB   GLU  88          2HB       GLU  88  18.271  10.779  -3.262
  645   2HB   GLU  88          1HB       GLU  88  17.183  12.056  -2.731
  646   1HG   GLU  88          2HG       GLU  88  19.249  12.139  -0.898
  647   2HG   GLU  88          1HG       GLU  88  20.049  11.819  -2.431
  648    H    PHE  89           H        PHE  89  15.623   9.732   0.254
  649    HA   PHE  89           HA       PHE  89  14.161   8.100  -1.520
  650   1HB   PHE  89          2HB       PHE  89  12.622   9.093   0.764
  651   2HB   PHE  89          1HB       PHE  89  13.016   7.439   0.304
  652    HD1  PHE  89           1HD      PHE  89  13.866  10.237   2.445
  653    HD2  PHE  89           2HD      PHE  89  15.172   6.456   0.985
  654    HE1  PHE  89           1HE      PHE  89  15.480  10.081   4.293
  655    HE2  PHE  89           2HE      PHE  89  16.789   6.300   2.826
  656    HZ   PHE  89           HZ       PHE  89  16.941   8.112   4.486
  657    H    GLY  90           H        GLY  90  12.025   8.326  -2.248
  658   1HA   GLY  90          1HA       GLY  90  11.027  11.082  -2.444
  659   2HA   GLY  90          2HA       GLY  90  11.048  10.036  -3.863
  660    H    ASP  91           H        ASP  91   9.630  10.604  -0.740
  661    HA   ASP  91           HA       ASP  91   8.055   8.331  -0.487
  662   1HB   ASP  91          2HB       ASP  91   6.674   9.701   1.060
  663   2HB   ASP  91          1HB       ASP  91   8.394   9.833   1.364
  664    H    GLU  92           H        GLU  92   6.935  11.511  -1.487
  665    HA   GLU  92           HA       GLU  92   4.529  10.457  -2.677
  666   1HB   GLU  92          2HB       GLU  92   5.656  13.110  -2.084
  667   2HB   GLU  92          1HB       GLU  92   4.706  13.047  -3.562
  668   1HG   GLU  92          2HG       GLU  92   3.085  11.722  -1.842
  669   2HG   GLU  92          1HG       GLU  92   3.864  12.878  -0.763
  670    H    ASP  93           H        ASP  93   7.716  11.266  -3.677
  671    HA   ASP  93           HA       ASP  93   7.249  11.644  -6.439
  672   1HB   ASP  93          2HB       ASP  93   9.305  12.422  -5.451
  673   2HB   ASP  93          1HB       ASP  93   9.722  10.797  -4.921
  674    H    GLU  94           H        GLU  94   7.572   8.813  -4.457
  675    HA   GLU  94           HA       GLU  94   8.043   7.008  -6.642
  676   1HB   GLU  94          2HB       GLU  94   7.886   6.857  -3.739
  677   2HB   GLU  94          1HB       GLU  94   7.084   5.500  -4.517
  678   1HG   GLU  94          2HG       GLU  94   9.869   6.345  -5.231
  679   2HG   GLU  94          1HG       GLU  94   9.525   5.213  -3.925
  680    H    ARG  95           H        ARG  95   5.624   6.008  -4.427
  681    HA   ARG  95           HA       ARG  95   3.534   6.360  -6.459
  682   1HB   ARG  95          2HB       ARG  95   4.870   3.985  -6.022
  683   2HB   ARG  95          1HB       ARG  95   3.428   3.809  -5.036
  684   1HG   ARG  95          2HG       ARG  95   2.945   2.879  -7.152
  685   2HG   ARG  95          1HG       ARG  95   2.087   4.418  -7.064
  686   1HD   ARG  95          2HD       ARG  95   4.279   5.336  -8.180
  687   2HD   ARG  95          1HD       ARG  95   4.469   3.658  -8.687
  688    HE   ARG  95           HE       ARG  95   1.952   5.061  -9.248
  689   1HH1  ARG  95          2HH1      ARG  95   4.926   3.598 -10.396
  690   2HH1  ARG  95          1HH1      ARG  95   4.377   3.466 -12.041
  691   1HH2  ARG  95          2HH2      ARG  95   1.223   4.893 -11.409
  692   2HH2  ARG  95          1HH2      ARG  95   2.285   4.237 -12.627
  693    H    LEU  96           H        LEU  96   1.365   5.985  -5.615
  694    HA   LEU  96           HA       LEU  96   1.176   6.384  -2.705
  695   1HB   LEU  96          2HB       LEU  96  -1.149   7.384  -4.078
  696   2HB   LEU  96          1HB       LEU  96  -0.099   8.203  -2.939
  697    HG   LEU  96           HG       LEU  96   1.149   8.025  -5.538
  698   1HD1  LEU  96          1HD1      LEU  96  -1.666   8.976  -5.392
  699   2HD1  LEU  96          2HD1      LEU  96  -0.523   9.842  -6.422
  700   3HD1  LEU  96          3HD1      LEU  96  -0.825   8.124  -6.689
  701   1HD2  LEU  96          1HD2      LEU  96   1.835  10.128  -5.026
  702   2HD2  LEU  96          2HD2      LEU  96   0.270  10.594  -4.356
  703   3HD2  LEU  96          3HD2      LEU  96   1.377   9.605  -3.404
  704    H    ILE  97           H        ILE  97  -1.429   6.011  -2.258
  705    HA   ILE  97           HA       ILE  97  -2.393   3.759  -3.767
  706    HB   ILE  97           HB       ILE  97  -2.837   2.921  -1.130
  707   1HG1  ILE  97          2HG1      ILE  97   0.121   3.271  -1.589
  708   2HG1  ILE  97          1HG1      ILE  97  -0.824   4.378  -0.601
  709   1HG2  ILE  97          1HG2      ILE  97  -1.465   0.968  -1.875
  710   2HG2  ILE  97          2HG2      ILE  97  -2.760   1.431  -2.975
  711   3HG2  ILE  97          3HG2      ILE  97  -1.092   1.871  -3.342
  712   1HD1  ILE  97          1HD1      ILE  97   0.346   2.722   0.749
  713   2HD1  ILE  97          2HD1      ILE  97  -1.403   2.556   0.903
  714   3HD1  ILE  97          3HD1      ILE  97  -0.494   1.429  -0.104
  715    H    THR  98           H        THR  98  -4.546   3.753  -3.842
  716    HA   THR  98           HA       THR  98  -5.901   5.755  -2.196
  717    HB   THR  98           HB       THR  98  -5.905   5.145  -5.033
  718    HG1  THR  98           1HG      THR  98  -6.221   7.239  -3.339
  719   1HG2  THR  98          1HG2      THR  98  -8.606   5.390  -3.725
  720   2HG2  THR  98          2HG2      THR  98  -7.962   3.953  -4.519
  721   3HG2  THR  98          3HG2      THR  98  -8.278   5.411  -5.459
  722    H    ARG  99           H        ARG  99  -7.455   5.120  -0.841
  723    HA   ARG  99           HA       ARG  99  -8.124   2.307  -0.713
  724   1HB   ARG  99          2HB       ARG  99  -8.106   4.560   1.132
  725   2HB   ARG  99          1HB       ARG  99  -9.574   3.595   1.263
  726   1HG   ARG  99          2HG       ARG  99  -8.439   1.710   1.920
  727   2HG   ARG  99          1HG       ARG  99  -6.928   2.245   1.183
  728   1HD   ARG  99          2HD       ARG  99  -6.258   3.046   3.128
  729   2HD   ARG  99          1HD       ARG  99  -7.644   4.136   3.166
  730    HE   ARG  99           HE       ARG  99  -8.116   1.402   4.047
  731   1HH1  ARG  99          2HH1      ARG  99  -7.565   4.745   4.922
  732   2HH1  ARG  99          1HH1      ARG  99  -8.007   4.505   6.585
  733   1HH2  ARG  99          2HH2      ARG  99  -8.768   1.100   6.162
  734   2HH2  ARG  99          1HH2      ARG  99  -8.766   2.439   7.276
  735    H    LEU 100           H        LEU 100  -9.623   1.669  -2.062
  736    HA   LEU 100           HA       LEU 100 -11.799   3.500  -2.734
  737   1HB   LEU 100          2HB       LEU 100 -10.173   2.185  -4.369
  738   2HB   LEU 100          1HB       LEU 100 -11.398   0.939  -4.177
  739    HG   LEU 100           HG       LEU 100 -12.928   3.133  -4.733
  740   1HD1  LEU 100          1HD1      LEU 100 -11.096   3.531  -6.913
  741   2HD1  LEU 100          2HD1      LEU 100 -11.843   4.716  -5.841
  742   3HD1  LEU 100          3HD1      LEU 100 -10.334   3.932  -5.373
  743   1HD2  LEU 100          1HD2      LEU 100 -11.773   0.945  -6.403
  744   2HD2  LEU 100          2HD2      LEU 100 -13.428   1.174  -5.841
  745   3HD2  LEU 100          3HD2      LEU 100 -12.794   2.178  -7.146
  746    H    GLU 101           H        GLU 101 -13.802   2.330  -3.440
  747    HA   GLU 101           HA       GLU 101 -14.684   0.550  -1.288
  748   1HB   GLU 101          2HB       GLU 101 -16.646   1.782  -3.139
  749   2HB   GLU 101          1HB       GLU 101 -16.732   1.559  -1.396
  750   1HG   GLU 101          2HG       GLU 101 -15.937   3.597  -0.984
  751   2HG   GLU 101          1HG       GLU 101 -14.684   3.460  -2.208
  752    H    ASN 102           H        ASN 102 -15.138  -1.501  -1.741
  753    HA   ASN 102           HA       ASN 102 -14.665  -2.546  -4.329
  754   1HB   ASN 102          2HB       ASN 102 -14.353  -3.687  -2.043
  755   2HB   ASN 102          1HB       ASN 102 -16.078  -4.049  -2.139
  756   1HD2  ASN 102          1HD2      ASN 102 -14.316  -6.064  -1.943
  757   2HD2  ASN 102          2HD2      ASN 102 -14.209  -6.937  -3.444
  758    H    THR 103           H        THR 103 -17.629  -3.134  -2.443
  759    HA   THR 103           HA       THR 103 -19.094  -3.036  -4.976
  760    HB   THR 103           HB       THR 103 -20.156  -4.370  -2.505
  761    HG1  THR 103           1HG      THR 103 -18.292  -5.464  -2.607
  762   1HG2  THR 103          1HG2      THR 103 -21.661  -4.189  -4.399
  763   2HG2  THR 103          2HG2      THR 103 -21.167  -5.871  -4.202
  764   3HG2  THR 103          3HG2      THR 103 -20.442  -4.881  -5.469
  765    H    GLN 104           H        GLN 104 -21.295  -3.196  -2.520
  766    HA   GLN 104           HA       GLN 104 -21.575  -0.316  -2.185
  767   1HB   GLN 104          2HB       GLN 104 -23.816  -2.101  -3.167
  768   2HB   GLN 104          1HB       GLN 104 -23.948  -0.388  -2.800
  769   1HG   GLN 104          2HG       GLN 104 -21.866  -0.646  -4.669
  770   2HG   GLN 104          1HG       GLN 104 -23.183  -1.671  -5.233
  771   1HE2  GLN 104          1HE2      GLN 104 -22.450   0.477  -6.711
  772   2HE2  GLN 104          2HE2      GLN 104 -23.670   1.716  -6.619
  773    H    PHE 105           H        PHE 105 -20.925  -0.803  -0.075
  774    HA   PHE 105           HA       PHE 105 -21.882  -2.716   1.613
  775   1HB   PHE 105          2HB       PHE 105 -21.520  -0.299   3.135
  776   2HB   PHE 105          1HB       PHE 105 -20.510  -1.737   3.078
  777    HD1  PHE 105           1HD      PHE 105 -18.775  -1.914   1.276
  778    HD2  PHE 105           2HD      PHE 105 -20.844   1.696   2.143
  779    HE1  PHE 105           1HE      PHE 105 -17.010  -0.632   0.138
  780    HE2  PHE 105           2HE      PHE 105 -19.089   2.987   1.003
  781    HZ   PHE 105           HZ       PHE 105 -17.168   1.822  -0.003
  782    H    ASP 106           H        ASP 106 -22.872   0.590   2.382
  783    HA   ASP 106           HA       ASP 106 -25.605  -0.430   2.804
  784   1HB   ASP 106          2HB       ASP 106 -24.057   0.716   4.692
  785   2HB   ASP 106          1HB       ASP 106 -24.813   2.157   4.021
  786    H    ALA 107           H        ALA 107 -24.140   2.762   2.324
  787    HA   ALA 107           HA       ALA 107 -26.179   3.304   0.271
  788   1HB   ALA 107          1HB       ALA 107 -25.221   4.868   2.445
  789   2HB   ALA 107          2HB       ALA 107 -24.782   5.674   0.938
  790   3HB   ALA 107          3HB       ALA 107 -26.469   5.270   1.263
  791    H    ALA 108           H        ALA 108 -22.783   3.316   1.026
  792    HA   ALA 108           HA       ALA 108 -20.900   3.255  -0.226
  793   1HB   ALA 108          1HB       ALA 108 -22.897   2.408  -2.284
  794   2HB   ALA 108          2HB       ALA 108 -21.200   2.637  -2.707
  795   3HB   ALA 108          3HB       ALA 108 -21.650   1.458  -1.477
  796    H    ASN 109           H        ASN 109 -23.193   4.660  -2.556
  797    HA   ASN 109           HA       ASN 109 -21.319   6.855  -3.035
  798   1HB   ASN 109          2HB       ASN 109 -22.632   5.430  -4.833
  799   2HB   ASN 109          1HB       ASN 109 -23.924   6.573  -4.482
  800   1HD2  ASN 109          1HD2      ASN 109 -23.671   7.138  -6.726
  801   2HD2  ASN 109          2HD2      ASN 109 -22.451   8.299  -7.176
  802    H    GLY 110           H        GLY 110 -23.598   6.247  -0.851
  803   1HA   GLY 110          1HA       GLY 110 -24.864   8.896  -0.952
  804   2HA   GLY 110          2HA       GLY 110 -25.409   7.537   0.022
  805    H    ILE 111           H        ILE 111 -25.172   9.964   1.198
  806    HA   ILE 111           HA       ILE 111 -22.594  10.105   2.534
  807    HB   ILE 111           HB       ILE 111 -24.870  11.790   3.442
  808   1HG1  ILE 111          2HG1      ILE 111 -23.413  12.778   1.046
  809   2HG1  ILE 111          1HG1      ILE 111 -24.646  11.554   0.768
  810   1HG2  ILE 111          1HG2      ILE 111 -22.509  13.239   2.839
  811   2HG2  ILE 111          2HG2      ILE 111 -23.182  12.845   4.421
  812   3HG2  ILE 111          3HG2      ILE 111 -22.035  11.747   3.653
  813   1HD1  ILE 111          1HD1      ILE 111 -26.062  13.184   2.302
  814   2HD1  ILE 111          2HD1      ILE 111 -24.920  14.360   1.653
  815   3HD1  ILE 111          3HD1      ILE 111 -25.921  13.407   0.558
  816    H    ASP 112           H        ASP 112 -25.808   8.953   3.058
  817    HA   ASP 112           HA       ASP 112 -25.366   8.544   5.912
  818   1HB   ASP 112          2HB       ASP 112 -27.623   9.218   4.763
  819   2HB   ASP 112          1HB       ASP 112 -27.761   7.490   4.444
  820    H    ASP 113           H        ASP 113 -23.463   7.213   4.844
  821    HA   ASP 113           HA       ASP 113 -24.251   4.478   4.252
  822   1HB   ASP 113          2HB       ASP 113 -22.368   5.693   3.040
  823   2HB   ASP 113          1HB       ASP 113 -21.440   5.550   4.531
  824    H    GLU 114           H        GLU 114 -24.604   3.110   5.858
  825    HA   GLU 114           HA       GLU 114 -23.267   3.588   8.433
  826   1HB   GLU 114          2HB       GLU 114 -25.972   3.380   7.836
  827   2HB   GLU 114          1HB       GLU 114 -25.569   1.804   8.505
  828   1HG   GLU 114          2HG       GLU 114 -24.355   3.435  10.285
  829   2HG   GLU 114          1HG       GLU 114 -25.731   4.428   9.803
  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1 -16.098 -12.707  -2.719
    2   2H    GLY   1          2H        GLY   1 -17.121 -12.178  -3.964
    3   3H    GLY   1          3H        GLY   1 -17.387 -11.655  -2.371
    4   1HA   GLY   1          2HA       GLY   1 -15.860 -10.051  -2.477
    5   2HA   GLY   1          1HA       GLY   1 -14.744 -11.077  -3.366
    6    H    SER   2           H        SER   2 -14.896  -8.490  -4.116
    7    HA   SER   2           HA       SER   2 -16.786  -8.232  -6.297
    8   1HB   SER   2          2HB       SER   2 -14.526  -6.334  -5.712
    9   2HB   SER   2          1HB       SER   2 -16.087  -5.992  -6.457
   10    HG   SER   2           HG       SER   2 -16.653  -6.968  -4.097
   11    H    LEU   3           H        LEU   3 -15.679  -7.197  -8.363
   12    HA   LEU   3           HA       LEU   3 -14.400  -9.344  -9.622
   13   1HB   LEU   3          2HB       LEU   3 -15.277  -6.646 -10.350
   14   2HB   LEU   3          1HB       LEU   3 -13.916  -7.228 -11.293
   15    HG   LEU   3           HG       LEU   3 -15.842  -9.314 -11.175
   16   1HD1  LEU   3          1HD1      LEU   3 -17.362  -7.464 -12.647
   17   2HD1  LEU   3          2HD1      LEU   3 -17.817  -8.314 -11.169
   18   3HD1  LEU   3          3HD1      LEU   3 -17.047  -6.728 -11.074
   19   1HD2  LEU   3          1HD2      LEU   3 -15.605  -7.725 -13.635
   20   2HD2  LEU   3          2HD2      LEU   3 -14.079  -8.298 -12.958
   21   3HD2  LEU   3          3HD2      LEU   3 -15.351  -9.451 -13.365
   22    H    LEU   4           H        LEU   4 -13.043  -6.586  -7.991
   23    HA   LEU   4           HA       LEU   4 -10.531  -6.594  -9.281
   24   1HB   LEU   4          2HB       LEU   4 -10.877  -5.766  -6.428
   25   2HB   LEU   4          1HB       LEU   4  -9.778  -5.121  -7.631
   26    HG   LEU   4           HG       LEU   4 -12.675  -4.787  -8.168
   27   1HD1  LEU   4          1HD1      LEU   4 -13.114  -3.840  -6.203
   28   2HD1  LEU   4          2HD1      LEU   4 -11.419  -3.884  -5.718
   29   3HD1  LEU   4          3HD1      LEU   4 -12.024  -2.542  -6.688
   30   1HD2  LEU   4          1HD2      LEU   4 -11.153  -2.423  -8.436
   31   2HD2  LEU   4          2HD2      LEU   4 -10.166  -3.749  -9.051
   32   3HD2  LEU   4          3HD2      LEU   4 -11.778  -3.473  -9.713
   33    H    THR   5           H        THR   5  -8.538  -7.341  -8.545
   34    HA   THR   5           HA       THR   5  -8.613  -9.485  -6.546
   35    HB   THR   5           HB       THR   5  -6.653 -10.312  -8.308
   36    HG1  THR   5           1HG      THR   5  -8.861 -10.025  -9.995
   37   1HG2  THR   5          1HG2      THR   5  -9.177 -11.196  -7.284
   38   2HG2  THR   5          2HG2      THR   5  -7.782 -12.154  -7.784
   39   3HG2  THR   5          3HG2      THR   5  -9.010 -11.699  -8.967
   40    H    CYS   6           H        CYS   6  -6.980  -9.440  -5.140
   41    HA   CYS   6           HA       CYS   6  -5.060  -7.275  -5.392
   42   1HB   CYS   6          2HB       CYS   6  -5.735  -7.024  -3.268
   43   2HB   CYS   6          1HB       CYS   6  -6.468  -8.623  -3.232
   44    H    GLY   7           H        GLY   7  -2.832  -7.585  -5.145
   45   1HA   GLY   7          1HA       GLY   7  -1.936 -10.154  -6.165
   46   2HA   GLY   7          2HA       GLY   7  -0.968  -8.695  -6.020
   47    H    GLY   8           H        GLY   8  -2.431  -8.963  -3.126
   48   1HA   GLY   8          1HA       GLY   8  -0.014 -10.071  -1.930
   49   2HA   GLY   8          2HA       GLY   8  -1.321  -9.254  -1.085
   50    H    CYS   9           H        CYS   9  -3.177 -11.124  -2.701
   51    HA   CYS   9           HA       CYS   9  -2.628 -13.652  -1.343
   52   1HB   CYS   9          2HB       CYS   9  -4.880 -13.777  -0.396
   53   2HB   CYS   9          1HB       CYS   9  -4.025 -12.369   0.228
   54    H    GLN  10           H        GLN  10  -4.604 -11.809  -3.577
   55    HA   GLN  10           HA       GLN  10  -5.514 -12.275  -5.589
   56   1HB   GLN  10          2HB       GLN  10  -3.465 -14.299  -5.339
   57   2HB   GLN  10          1HB       GLN  10  -4.855 -14.915  -6.221
   58   1HG   GLN  10          2HG       GLN  10  -3.482 -12.328  -6.892
   59   2HG   GLN  10          1HG       GLN  10  -3.051 -13.877  -7.618
   60   1HE2  GLN  10          1HE2      GLN  10  -5.813 -14.827  -7.659
   61   2HE2  GLN  10          2HE2      GLN  10  -6.590 -13.966  -8.951
   62    H    GLN  11           H        GLN  11  -6.721 -13.020  -2.968
   63    HA   GLN  11           HA       GLN  11  -8.465 -15.230  -3.749
   64   1HB   GLN  11          2HB       GLN  11  -9.176 -15.309  -1.486
   65   2HB   GLN  11          1HB       GLN  11  -7.438 -15.070  -1.444
   66   1HG   GLN  11          2HG       GLN  11  -7.700 -13.274  -0.186
   67   2HG   GLN  11          1HG       GLN  11  -8.683 -12.521  -1.441
   68   1HE2  GLN  11          1HE2      GLN  11 -10.655 -11.989  -0.884
   69   2HE2  GLN  11          2HE2      GLN  11 -11.567 -12.677   0.418
   70    H    ASN  12           H        ASN  12  -8.432 -12.295  -4.725
   71    HA   ASN  12           HA       ASN  12  -9.962 -10.885  -5.640
   72   1HB   ASN  12          2HB       ASN  12 -11.759 -13.080  -4.749
   73   2HB   ASN  12          1HB       ASN  12 -12.502 -11.509  -5.021
   74   1HD2  ASN  12          1HD2      ASN  12 -13.082 -11.005  -7.025
   75   2HD2  ASN  12          2HD2      ASN  12 -12.569 -11.848  -8.453
   76    H    ILE  13           H        ILE  13 -10.668  -8.928  -4.957
   77    HA   ILE  13           HA       ILE  13 -10.584  -8.472  -2.096
   78    HB   ILE  13           HB       ILE  13 -10.994  -6.420  -4.254
   79   1HG1  ILE  13          2HG1      ILE  13  -8.343  -6.925  -2.980
   80   2HG1  ILE  13          1HG1      ILE  13  -8.865  -7.980  -4.285
   81   1HG2  ILE  13          1HG2      ILE  13 -11.128  -6.222  -1.485
   82   2HG2  ILE  13          2HG2      ILE  13  -9.527  -5.604  -1.901
   83   3HG2  ILE  13          3HG2      ILE  13 -10.968  -4.893  -2.632
   84   1HD1  ILE  13          1HD1      ILE  13  -9.022  -5.049  -4.705
   85   2HD1  ILE  13          2HD1      ILE  13  -7.438  -5.829  -4.748
   86   3HD1  ILE  13          3HD1      ILE  13  -8.710  -6.349  -5.858
   87    H    GLY  14           H        GLY  14 -12.376  -8.871  -0.993
   88   1HA   GLY  14          1HA       GLY  14 -14.942  -7.907  -2.113
   89   2HA   GLY  14          2HA       GLY  14 -14.794  -9.324  -1.077
   90    H    ASP  15           H        ASP  15 -12.723  -6.849  -0.204
   91    HA   ASP  15           HA       ASP  15 -14.026  -6.436   2.298
   92   1HB   ASP  15          2HB       ASP  15 -11.519  -5.490   1.016
   93   2HB   ASP  15          1HB       ASP  15 -12.183  -4.481   2.291
   94    H    ARG  16           H        ARG  16 -13.773  -3.889   2.958
   95    HA   ARG  16           HA       ARG  16 -15.735  -2.527   1.262
   96   1HB   ARG  16          2HB       ARG  16 -15.815  -0.915   3.258
   97   2HB   ARG  16          1HB       ARG  16 -16.511  -2.514   3.478
   98   1HG   ARG  16          2HG       ARG  16 -15.323  -2.416   5.394
   99   2HG   ARG  16          1HG       ARG  16 -14.039  -3.015   4.341
  100   1HD   ARG  16          2HD       ARG  16 -12.919  -1.046   4.351
  101   2HD   ARG  16          1HD       ARG  16 -14.388  -0.082   4.469
  102    HE   ARG  16           HE       ARG  16 -14.404  -0.869   6.887
  103   1HH1  ARG  16          2HH1      ARG  16 -11.458  -0.516   5.039
  104   2HH1  ARG  16          1HH1      ARG  16 -10.483  -0.104   6.409
  105   1HH2  ARG  16          2HH2      ARG  16 -13.144  -0.336   8.700
  106   2HH2  ARG  16          1HH2      ARG  16 -11.442   0.003   8.505
  107    H    TYR  17           H        TYR  17 -12.432  -2.492   2.225
  108    HA   TYR  17           HA       TYR  17 -11.990  -0.057   0.648
  109   1HB   TYR  17          2HB       TYR  17 -11.935   0.008   3.392
  110   2HB   TYR  17          1HB       TYR  17 -10.253  -0.326   3.006
  111    HD1  TYR  17           1HD      TYR  17  -8.855   1.474   2.686
  112    HD2  TYR  17           2HD      TYR  17 -13.014   1.946   1.942
  113    HE1  TYR  17           1HE      TYR  17  -8.505   3.868   2.258
  114    HE2  TYR  17           2HE      TYR  17 -12.670   4.338   1.505
  115    HH   TYR  17           HH       TYR  17 -10.894   6.100   2.283
  116    H    PHE  18           H        PHE  18  -9.851   0.070  -0.253
  117    HA   PHE  18           HA       PHE  18  -8.027  -2.100   0.210
  118   1HB   PHE  18          2HB       PHE  18  -8.075  -3.142  -1.900
  119   2HB   PHE  18          1HB       PHE  18  -9.752  -3.016  -1.416
  120    HD1  PHE  18           1HD      PHE  18 -10.686  -0.465  -2.208
  121    HD2  PHE  18           2HD      PHE  18  -7.802  -2.931  -4.143
  122    HE1  PHE  18           1HE      PHE  18 -11.219   0.600  -4.358
  123    HE2  PHE  18           2HE      PHE  18  -8.329  -1.861  -6.296
  124    HZ   PHE  18           HZ       PHE  18 -10.040  -0.093  -6.404
  125    H    LEU  19           H        LEU  19  -6.240  -1.986  -1.541
  126    HA   LEU  19           HA       LEU  19  -5.569   0.833  -2.047
  127   1HB   LEU  19          2HB       LEU  19  -3.887  -1.448  -1.022
  128   2HB   LEU  19          1HB       LEU  19  -3.167  -0.056  -1.792
  129    HG   LEU  19           HG       LEU  19  -4.982   0.297   0.566
  130   1HD1  LEU  19          1HD1      LEU  19  -2.161   0.304   1.225
  131   2HD1  LEU  19          2HD1      LEU  19  -3.510  -0.489   2.037
  132   3HD1  LEU  19          3HD1      LEU  19  -2.712  -1.280   0.677
  133   1HD2  LEU  19          1HD2      LEU  19  -4.233   2.416   0.579
  134   2HD2  LEU  19          2HD2      LEU  19  -2.583   1.945   0.168
  135   3HD2  LEU  19          3HD2      LEU  19  -3.803   2.081  -1.100
  136    H    LYS  20           H        LYS  20  -4.382   1.173  -4.022
  137    HA   LYS  20           HA       LYS  20  -3.605  -1.047  -5.628
  138   1HB   LYS  20          2HB       LYS  20  -5.473  -1.401  -6.798
  139   2HB   LYS  20          1HB       LYS  20  -6.298  -0.114  -5.937
  140   1HG   LYS  20          2HG       LYS  20  -4.534   0.792  -8.091
  141   2HG   LYS  20          1HG       LYS  20  -5.885  -0.204  -8.616
  142   1HD   LYS  20          2HD       LYS  20  -6.301   2.098  -6.739
  143   2HD   LYS  20          1HD       LYS  20  -6.227   2.346  -8.484
  144   1HE   LYS  20          2HE       LYS  20  -8.033   0.240  -7.387
  145   2HE   LYS  20          1HE       LYS  20  -8.523   1.929  -7.285
  146   1HZ   LYS  20          1HZ       LYS  20  -7.578   0.912  -9.870
  147   2HZ   LYS  20          2HZ       LYS  20  -8.742   2.099  -9.532
  148   3HZ   LYS  20          3HZ       LYS  20  -9.131   0.457  -9.349
  149    H    ALA  21           H        ALA  21  -2.189  -0.390  -7.325
  150    HA   ALA  21           HA       ALA  21  -1.959   2.273  -8.243
  151   1HB   ALA  21          1HB       ALA  21  -0.942   1.968  -5.658
  152   2HB   ALA  21          2HB       ALA  21   0.463   2.037  -6.723
  153   3HB   ALA  21          3HB       ALA  21  -0.725   3.339  -6.746
  154    H    ILE  22           H        ILE  22   0.431  -0.110  -7.167
  155    HA   ILE  22           HA       ILE  22   2.426   0.148  -8.853
  156    HB   ILE  22           HB       ILE  22   1.238  -2.510  -8.058
  157   1HG1  ILE  22          2HG1      ILE  22   3.232  -0.662  -6.753
  158   2HG1  ILE  22          1HG1      ILE  22   1.685  -1.201  -6.117
  159   1HG2  ILE  22          1HG2      ILE  22   4.106  -2.502  -8.351
  160   2HG2  ILE  22          2HG2      ILE  22   2.896  -3.593  -9.043
  161   3HG2  ILE  22          3HG2      ILE  22   3.301  -2.083  -9.866
  162   1HD1  ILE  22          1HD1      ILE  22   4.282  -2.379  -5.847
  163   2HD1  ILE  22          2HD1      ILE  22   2.776  -2.777  -5.019
  164   3HD1  ILE  22          3HD1      ILE  22   3.155  -3.530  -6.568
  165    H    ASP  23           H        ASP  23  -0.381  -1.826  -9.705
  166    HA   ASP  23           HA       ASP  23  -0.607  -1.078 -12.353
  167   1HB   ASP  23          2HB       ASP  23   1.630  -2.205 -12.615
  168   2HB   ASP  23          1HB       ASP  23   0.873  -3.715 -12.117
  169    H    GLN  24           H        GLN  24  -1.152  -2.992  -9.711
  170    HA   GLN  24           HA       GLN  24  -3.520  -4.242 -10.902
  171   1HB   GLN  24          2HB       GLN  24  -3.109  -6.222  -9.571
  172   2HB   GLN  24          1HB       GLN  24  -1.674  -5.877 -10.520
  173   1HG   GLN  24          2HG       GLN  24  -2.046  -5.234  -7.601
  174   2HG   GLN  24          1HG       GLN  24  -1.131  -6.586  -8.250
  175   1HE2  GLN  24          1HE2      GLN  24   0.913  -6.227  -9.095
  176   2HE2  GLN  24          2HE2      GLN  24   1.735  -4.707  -8.936
  177    H    TYR  25           H        TYR  25  -4.523  -5.317  -8.564
  178    HA   TYR  25           HA       TYR  25  -4.968  -2.928  -6.914
  179   1HB   TYR  25          2HB       TYR  25  -6.931  -5.204  -7.108
  180   2HB   TYR  25          1HB       TYR  25  -7.208  -3.556  -6.544
  181    HD1  TYR  25           1HD      TYR  25  -8.015  -5.684  -9.077
  182    HD2  TYR  25           2HD      TYR  25  -6.428  -1.770  -8.531
  183    HE1  TYR  25           1HE      TYR  25  -8.787  -5.062 -11.329
  184    HE2  TYR  25           2HE      TYR  25  -7.201  -1.142 -10.780
  185    HH   TYR  25           HH       TYR  25  -8.075  -3.319 -13.107
  186    H    TRP  26           H        TRP  26  -5.381  -3.394  -4.633
  187    HA   TRP  26           HA       TRP  26  -4.093  -5.869  -3.730
  188   1HB   TRP  26          2HB       TRP  26  -3.478  -3.067  -2.758
  189   2HB   TRP  26          1HB       TRP  26  -2.848  -4.542  -2.038
  190    HD1  TRP  26           HD       TRP  26  -2.338  -2.188  -4.973
  191    HE1  TRP  26           1HE      TRP  26  -0.184  -2.836  -6.203
  192    HE3  TRP  26           3HE      TRP  26  -1.319  -6.584  -2.568
  193    HZ2  TRP  26           2HZ      TRP  26   1.707  -4.925  -6.161
  194    HZ3  TRP  26           3HZ      TRP  26   0.689  -7.842  -3.224
  195    HH2  TRP  26           HH       TRP  26   2.172  -7.024  -4.982
  196    H    HIS  27           H        HIS  27  -4.048  -5.249  -1.083
  197    HA   HIS  27           HA       HIS  27  -6.875  -4.864  -0.349
  198   1HB   HIS  27          2HB       HIS  27  -5.044  -7.090   0.299
  199   2HB   HIS  27          1HB       HIS  27  -5.891  -6.420   1.687
  200    HD2  HIS  27           2HD      HIS  27  -8.856  -6.113   0.730
  201    HE1  HIS  27           1HE      HIS  27  -8.479 -10.056  -0.774
  202    HE2  HIS  27           2HE      HIS  27 -10.091  -8.338   0.174
  203    H    GLU  28           H        GLU  28  -6.691  -4.693   2.328
  204    HA   GLU  28           HA       GLU  28  -5.242  -2.234   2.734
  205   1HB   GLU  28          2HB       GLU  28  -7.334  -3.776   4.110
  206   2HB   GLU  28          1HB       GLU  28  -6.217  -2.963   5.189
  207   1HG   GLU  28          2HG       GLU  28  -6.715  -0.831   4.109
  208   2HG   GLU  28          1HG       GLU  28  -7.825  -1.651   3.010
  209    H    ASP  29           H        ASP  29  -5.194  -5.520   4.092
  210    HA   ASP  29           HA       ASP  29  -2.701  -4.867   5.490
  211   1HB   ASP  29          2HB       ASP  29  -4.773  -5.677   6.727
  212   2HB   ASP  29          1HB       ASP  29  -4.494  -7.245   5.978
  213    H    CYS  30           H        CYS  30  -3.487  -6.238   2.686
  214    HA   CYS  30           HA       CYS  30  -1.944  -8.649   2.842
  215   1HB   CYS  30          2HB       CYS  30  -3.550  -7.259   0.789
  216   2HB   CYS  30          1HB       CYS  30  -2.262  -8.302   0.200
  217    H    LEU  31           H        LEU  31  -1.492  -5.480   1.343
  218    HA   LEU  31           HA       LEU  31   0.849  -5.961  -0.039
  219   1HB   LEU  31          2HB       LEU  31  -0.688  -3.685   0.725
  220   2HB   LEU  31          1HB       LEU  31   1.001  -3.332   1.036
  221    HG   LEU  31           HG       LEU  31   0.040  -4.376  -1.621
  222   1HD1  LEU  31          1HD1      LEU  31  -0.042  -2.132  -2.439
  223   2HD1  LEU  31          2HD1      LEU  31  -1.104  -2.251  -1.036
  224   3HD1  LEU  31          3HD1      LEU  31   0.482  -1.494  -0.880
  225   1HD2  LEU  31          1HD2      LEU  31   2.442  -4.594  -1.099
  226   2HD2  LEU  31          2HD2      LEU  31   2.131  -3.490  -2.438
  227   3HD2  LEU  31          3HD2      LEU  31   2.520  -2.851  -0.842
  228    H    SER  32           H        SER  32   2.633  -6.854   0.733
  229    HA   SER  32           HA       SER  32   3.739  -5.814   3.261
  230   1HB   SER  32          2HB       SER  32   4.162  -8.662   2.393
  231   2HB   SER  32          1HB       SER  32   4.311  -7.963   4.006
  232    HG   SER  32           HG       SER  32   1.818  -7.967   2.687
  233    H    CYS  33           H        CYS  33   6.077  -6.193   3.478
  234    HA   CYS  33           HA       CYS  33   7.498  -5.237   1.238
  235   1HB   CYS  33          2HB       CYS  33   7.957  -5.161   3.850
  236   2HB   CYS  33          1HB       CYS  33   8.905  -6.594   3.483
  237    H    ASP  34           H        ASP  34   9.403  -6.224   0.370
  238    HA   ASP  34           HA       ASP  34   9.120  -9.100  -0.147
  239   1HB   ASP  34          2HB       ASP  34   9.756  -7.075  -1.855
  240   2HB   ASP  34          1HB       ASP  34  11.361  -7.594  -1.361
  241    H    LEU  35           H        LEU  35  10.977  -6.696   1.489
  242    HA   LEU  35           HA       LEU  35  13.083  -8.608   2.150
  243   1HB   LEU  35          2HB       LEU  35  13.649  -6.338   1.300
  244   2HB   LEU  35          1HB       LEU  35  12.952  -5.661   2.759
  245    HG   LEU  35           HG       LEU  35  14.644  -6.660   4.126
  246   1HD1  LEU  35          1HD1      LEU  35  15.480  -8.076   1.602
  247   2HD1  LEU  35          2HD1      LEU  35  16.516  -7.951   3.025
  248   3HD1  LEU  35          3HD1      LEU  35  14.967  -8.788   3.133
  249   1HD2  LEU  35          1HD2      LEU  35  15.110  -4.651   2.375
  250   2HD2  LEU  35          2HD2      LEU  35  16.260  -5.183   3.604
  251   3HD2  LEU  35          3HD2      LEU  35  16.407  -5.768   1.946
  252    H    CYS  36           H        CYS  36  11.084  -6.209   3.942
  253    HA   CYS  36           HA       CYS  36  11.781  -7.049   6.498
  254   1HB   CYS  36          2HB       CYS  36   9.169  -5.860   5.540
  255   2HB   CYS  36          1HB       CYS  36   9.572  -6.090   7.234
  256    H    GLY  37           H        GLY  37   9.031  -8.067   4.519
  257   1HA   GLY  37          1HA       GLY  37   8.204 -10.266   4.371
  258   2HA   GLY  37          2HA       GLY  37   9.074 -10.666   5.848
  259    H    CYS  38           H        CYS  38   8.068  -8.378   7.321
  260    HA   CYS  38           HA       CYS  38   5.692  -9.551   8.337
  261   1HB   CYS  38          2HB       CYS  38   6.349  -6.736   9.013
  262   2HB   CYS  38          1HB       CYS  38   5.914  -8.073  10.069
  263    HG   CYS  38           HG       CYS  38   8.579  -9.264   9.482
  264    H    ARG  39           H        ARG  39   6.076  -6.182   7.285
  265    HA   ARG  39           HA       ARG  39   3.951  -6.369   5.362
  266   1HB   ARG  39          2HB       ARG  39   3.105  -5.914   7.943
  267   2HB   ARG  39          1HB       ARG  39   3.270  -4.280   7.313
  268   1HG   ARG  39          2HG       ARG  39   1.021  -5.017   6.972
  269   2HG   ARG  39          1HG       ARG  39   1.823  -4.924   5.403
  270   1HD   ARG  39          2HD       ARG  39   1.127  -7.010   5.050
  271   2HD   ARG  39          1HD       ARG  39   2.307  -7.512   6.259
  272    HE   ARG  39           HE       ARG  39  -0.574  -7.230   6.626
  273   1HH1  ARG  39          2HH1      ARG  39   2.555  -8.001   7.983
  274   2HH1  ARG  39          1HH1      ARG  39   1.907  -8.635   9.465
  275   1HH2  ARG  39          2HH2      ARG  39  -1.451  -8.119   8.529
  276   2HH2  ARG  39          1HH2      ARG  39  -0.383  -8.755   9.758
  277    H    LEU  40           H        LEU  40   3.436  -3.410   5.781
  278    HA   LEU  40           HA       LEU  40   5.923  -2.474   4.538
  279   1HB   LEU  40          2HB       LEU  40   3.224  -1.124   4.687
  280   2HB   LEU  40          1HB       LEU  40   4.624  -0.527   3.816
  281    HG   LEU  40           HG       LEU  40   3.246  -3.132   3.175
  282   1HD1  LEU  40          1HD1      LEU  40   1.680  -1.344   2.806
  283   2HD1  LEU  40          2HD1      LEU  40   2.899  -0.409   1.938
  284   3HD1  LEU  40          3HD1      LEU  40   2.292  -1.915   1.253
  285   1HD2  LEU  40          1HD2      LEU  40   4.449  -2.663   0.963
  286   2HD2  LEU  40          2HD2      LEU  40   5.432  -1.533   1.894
  287   3HD2  LEU  40          3HD2      LEU  40   5.411  -3.245   2.323
  288    H    GLY  41           H        GLY  41   7.334  -1.660   5.922
  289   1HA   GLY  41          1HA       GLY  41   6.421  -0.733   8.521
  290   2HA   GLY  41          2HA       GLY  41   8.090  -0.997   8.029
  291    H    GLU  42           H        GLU  42   8.186   0.612   5.756
  292    HA   GLU  42           HA       GLU  42   7.958   3.261   7.016
  293   1HB   GLU  42          2HB       GLU  42   9.769   2.263   4.819
  294   2HB   GLU  42          1HB       GLU  42   9.685   3.943   5.333
  295   1HG   GLU  42          2HG       GLU  42  10.361   1.680   7.191
  296   2HG   GLU  42          1HG       GLU  42  11.570   2.594   6.292
  297    H    VAL  43           H        VAL  43   6.080   1.533   5.252
  298    HA   VAL  43           HA       VAL  43   5.347   3.718   3.421
  299    HB   VAL  43           HB       VAL  43   4.907   0.743   3.047
  300   1HG1  VAL  43          1HG1      VAL  43   3.275   2.826   2.171
  301   2HG1  VAL  43          2HG1      VAL  43   4.246   2.379   0.765
  302   3HG1  VAL  43          3HG1      VAL  43   3.278   1.158   1.593
  303   1HG2  VAL  43          1HG2      VAL  43   6.292   2.444   1.046
  304   2HG2  VAL  43          2HG2      VAL  43   7.171   2.015   2.515
  305   3HG2  VAL  43          3HG2      VAL  43   6.543   0.748   1.460
  306    H    GLY  44           H        GLY  44   3.916   4.769   4.769
  307   1HA   GLY  44          1HA       GLY  44   1.727   3.122   5.880
  308   2HA   GLY  44          2HA       GLY  44   2.288   4.635   6.579
  309    H    ARG  45           H        ARG  45   2.257   4.867   3.269
  310    HA   ARG  45           HA       ARG  45  -0.392   5.081   2.554
  311   1HB   ARG  45          2HB       ARG  45  -0.815   7.493   2.504
  312   2HB   ARG  45          1HB       ARG  45  -0.606   6.917   4.147
  313   1HG   ARG  45          2HG       ARG  45   1.432   7.984   4.401
  314   2HG   ARG  45          1HG       ARG  45   1.700   8.102   2.662
  315   1HD   ARG  45          2HD       ARG  45   0.482   9.990   4.440
  316   2HD   ARG  45          1HD       ARG  45   0.907  10.178   2.742
  317    HE   ARG  45           HE       ARG  45  -1.643   8.934   3.558
  318   1HH1  ARG  45          2HH1      ARG  45   0.151  11.348   1.754
  319   2HH1  ARG  45          1HH1      ARG  45  -1.254  11.946   0.920
  320   1HH2  ARG  45          2HH2      ARG  45  -3.483   9.697   2.430
  321   2HH2  ARG  45          1HH2      ARG  45  -3.313  10.993   1.283
  322    H    ARG  46           H        ARG  46   2.879   6.277   2.157
  323    HA   ARG  46           HA       ARG  46   2.397   6.462  -0.745
  324   1HB   ARG  46          2HB       ARG  46   5.015   7.394   0.131
  325   2HB   ARG  46          1HB       ARG  46   3.815   8.201  -0.866
  326   1HG   ARG  46          2HG       ARG  46   2.639   8.952   1.120
  327   2HG   ARG  46          1HG       ARG  46   3.798   8.098   2.141
  328   1HD   ARG  46          2HD       ARG  46   5.009   9.928   0.199
  329   2HD   ARG  46          1HD       ARG  46   3.988  10.716   1.400
  330    HE   ARG  46           HE       ARG  46   5.682   8.921   2.719
  331   1HH1  ARG  46          2HH1      ARG  46   5.879  11.897   0.889
  332   2HH1  ARG  46          1HH1      ARG  46   7.306  12.459   1.714
  333   1HH2  ARG  46          2HH2      ARG  46   7.537   9.660   3.831
  334   2HH2  ARG  46          1HH2      ARG  46   8.218  11.214   3.418
  335    H    LEU  47           H        LEU  47   3.136   4.854  -1.947
  336    HA   LEU  47           HA       LEU  47   4.926   2.904  -0.718
  337   1HB   LEU  47          2HB       LEU  47   2.660   2.642  -2.310
  338   2HB   LEU  47          1HB       LEU  47   3.986   2.261  -3.391
  339    HG   LEU  47           HG       LEU  47   3.282   0.869  -0.811
  340   1HD1  LEU  47          1HD1      LEU  47   1.906   0.121  -2.583
  341   2HD1  LEU  47          2HD1      LEU  47   3.265   0.062  -3.706
  342   3HD1  LEU  47          3HD1      LEU  47   3.167  -1.097  -2.378
  343   1HD2  LEU  47          1HD2      LEU  47   5.190  -0.623  -1.307
  344   2HD2  LEU  47          2HD2      LEU  47   5.684   0.478  -2.592
  345   3HD2  LEU  47          3HD2      LEU  47   5.690   1.024  -0.914
  346    H    TYR  48           H        TYR  48   6.999   3.127  -1.072
  347    HA   TYR  48           HA       TYR  48   7.905   4.065  -3.714
  348   1HB   TYR  48          2HB       TYR  48   9.985   3.863  -1.680
  349   2HB   TYR  48          1HB       TYR  48   9.562   5.229  -2.710
  350    HD1  TYR  48           1HD      TYR  48   9.241   3.734   0.569
  351    HD2  TYR  48           2HD      TYR  48   7.801   6.820  -1.981
  352    HE1  TYR  48           1HE      TYR  48   8.273   4.870   2.518
  353    HE2  TYR  48           2HE      TYR  48   6.826   7.974  -0.030
  354    HH   TYR  48           HH       TYR  48   7.569   7.142   3.181
  355    H    TYR  49           H        TYR  49   7.697   2.114  -4.701
  356    HA   TYR  49           HA       TYR  49   9.114  -0.153  -3.506
  357   1HB   TYR  49          2HB       TYR  49   7.587  -1.602  -4.636
  358   2HB   TYR  49          1HB       TYR  49   6.628  -0.326  -3.886
  359    HD1  TYR  49           1HD      TYR  49   6.241   1.786  -5.540
  360    HD2  TYR  49           2HD      TYR  49   7.009  -2.215  -6.780
  361    HE1  TYR  49           1HE      TYR  49   5.194   2.259  -7.716
  362    HE2  TYR  49           2HE      TYR  49   5.978  -1.742  -8.952
  363    HH   TYR  49           HH       TYR  49   5.324  -0.067 -10.346
  364    H    LYS  50           H        LYS  50  10.141  -1.670  -4.957
  365    HA   LYS  50           HA       LYS  50  11.565  -0.301  -7.104
  366   1HB   LYS  50          2HB       LYS  50  12.017  -2.670  -5.436
  367   2HB   LYS  50          1HB       LYS  50  12.390  -2.936  -7.131
  368   1HG   LYS  50          2HG       LYS  50  13.489  -0.674  -5.479
  369   2HG   LYS  50          1HG       LYS  50  14.327  -2.197  -5.777
  370   1HD   LYS  50          2HD       LYS  50  14.774  -1.681  -7.956
  371   2HD   LYS  50          1HD       LYS  50  13.326  -0.685  -8.129
  372   1HE   LYS  50          2HE       LYS  50  14.430   1.176  -7.594
  373   2HE   LYS  50          1HE       LYS  50  15.186   0.415  -6.195
  374   1HZ   LYS  50          1HZ       LYS  50  16.882   1.088  -7.722
  375   2HZ   LYS  50          2HZ       LYS  50  16.122   0.300  -9.013
  376   3HZ   LYS  50          3HZ       LYS  50  16.804  -0.609  -7.753
  377    H    LEU  51           H        LEU  51  11.493  -1.015  -9.255
  378    HA   LEU  51           HA       LEU  51   9.205  -1.184 -10.491
  379   1HB   LEU  51          2HB       LEU  51  10.559  -3.026 -12.071
  380   2HB   LEU  51          1HB       LEU  51  10.511  -1.294 -12.266
  381    HG   LEU  51           HG       LEU  51  12.775  -2.234 -12.418
  382   1HD1  LEU  51          1HD1      LEU  51  13.620  -0.339 -11.675
  383   2HD1  LEU  51          2HD1      LEU  51  11.995   0.047 -11.108
  384   3HD1  LEU  51          3HD1      LEU  51  13.163  -0.687 -10.009
  385   1HD2  LEU  51          1HD2      LEU  51  12.222  -3.148  -9.621
  386   2HD2  LEU  51          2HD2      LEU  51  12.842  -4.068 -10.993
  387   3HD2  LEU  51          3HD2      LEU  51  13.865  -2.871 -10.199
  388    H    GLY  52           H        GLY  52  10.786  -4.232  -9.500
  389   1HA   GLY  52          1HA       GLY  52   8.122  -5.488  -9.715
  390   2HA   GLY  52          2HA       GLY  52   9.613  -6.335 -10.091
  391    H    ARG  53           H        ARG  53   9.624  -4.196  -7.387
  392    HA   ARG  53           HA       ARG  53   9.138  -6.410  -5.527
  393   1HB   ARG  53          2HB       ARG  53  11.419  -4.572  -4.922
  394   2HB   ARG  53          1HB       ARG  53  11.122  -6.204  -4.347
  395   1HG   ARG  53          2HG       ARG  53  11.538  -6.833  -6.853
  396   2HG   ARG  53          1HG       ARG  53  12.379  -5.282  -6.878
  397   1HD   ARG  53          2HD       ARG  53  14.119  -6.108  -5.750
  398   2HD   ARG  53          1HD       ARG  53  13.070  -6.852  -4.543
  399    HE   ARG  53           HE       ARG  53  12.985  -8.343  -6.942
  400   1HH1  ARG  53          2HH1      ARG  53  15.098  -7.654  -4.231
  401   2HH1  ARG  53          1HH1      ARG  53  15.929  -9.174  -4.320
  402   1HH2  ARG  53          2HH2      ARG  53  14.085 -10.342  -7.072
  403   2HH2  ARG  53          1HH2      ARG  53  15.359 -10.703  -5.946
  404    H    LYS  54           H        LYS  54   7.445  -5.692  -4.384
  405    HA   LYS  54           HA       LYS  54   7.184  -2.854  -3.771
  406   1HB   LYS  54          2HB       LYS  54   5.176  -4.043  -2.358
  407   2HB   LYS  54          1HB       LYS  54   5.029  -3.484  -4.017
  408   1HG   LYS  54          2HG       LYS  54   4.651  -5.541  -4.741
  409   2HG   LYS  54          1HG       LYS  54   6.111  -6.145  -3.952
  410   1HD   LYS  54          2HD       LYS  54   4.378  -5.747  -1.849
  411   2HD   LYS  54          1HD       LYS  54   3.321  -6.343  -3.130
  412   1HE   LYS  54          2HE       LYS  54   4.079  -8.251  -1.955
  413   2HE   LYS  54          1HE       LYS  54   4.986  -8.209  -3.470
  414   1HZ   LYS  54          1HZ       LYS  54   6.031  -7.109  -0.921
  415   2HZ   LYS  54          2HZ       LYS  54   6.886  -7.397  -2.355
  416   3HZ   LYS  54          3HZ       LYS  54   6.324  -8.700  -1.433
  417    H    LEU  55           H        LEU  55   8.443  -2.115  -2.212
  418    HA   LEU  55           HA       LEU  55   8.442  -3.462   0.381
  419   1HB   LEU  55          2HB       LEU  55  10.763  -3.702   0.536
  420   2HB   LEU  55          1HB       LEU  55  10.346  -4.310  -1.048
  421    HG   LEU  55           HG       LEU  55  11.810  -1.774  -0.348
  422   1HD1  LEU  55          1HD1      LEU  55  12.499  -3.967  -2.291
  423   2HD1  LEU  55          2HD1      LEU  55  13.557  -2.711  -1.648
  424   3HD1  LEU  55          3HD1      LEU  55  12.970  -3.996  -0.592
  425   1HD2  LEU  55          1HD2      LEU  55  10.945  -2.489  -3.142
  426   2HD2  LEU  55          2HD2      LEU  55  10.035  -1.370  -2.127
  427   3HD2  LEU  55          3HD2      LEU  55  11.700  -0.999  -2.576
  428    H    CYS  56           H        CYS  56   9.901  -2.050   1.973
  429    HA   CYS  56           HA       CYS  56   8.716   0.574   1.924
  430   1HB   CYS  56          2HB       CYS  56  10.813  -0.208   3.927
  431   2HB   CYS  56          1HB       CYS  56   9.420   0.852   4.132
  432    H    ARG  57           H        ARG  57  10.150   2.476   2.558
  433    HA   ARG  57           HA       ARG  57  11.893   3.087   0.469
  434   1HB   ARG  57          2HB       ARG  57  10.690   4.717   1.962
  435   2HB   ARG  57          1HB       ARG  57  11.895   4.379   3.197
  436   1HG   ARG  57          2HG       ARG  57  13.039   6.079   2.339
  437   2HG   ARG  57          1HG       ARG  57  13.420   5.005   0.991
  438   1HD   ARG  57          2HD       ARG  57  12.139   6.152  -0.419
  439   2HD   ARG  57          1HD       ARG  57  10.802   6.228   0.727
  440    HE   ARG  57           HE       ARG  57  12.658   8.296   0.129
  441   1HH1  ARG  57          2HH1      ARG  57  10.773   6.976   2.798
  442   2HH1  ARG  57          1HH1      ARG  57  10.732   8.480   3.666
  443   1HH2  ARG  57          2HH2      ARG  57  12.580  10.267   1.283
  444   2HH2  ARG  57          1HH2      ARG  57  11.742  10.345   2.807
  445    H    ARG  58           H        ARG  58  12.606   2.030   3.768
  446    HA   ARG  58           HA       ARG  58  15.400   2.320   3.588
  447   1HB   ARG  58          2HB       ARG  58  13.983   0.301   5.328
  448   2HB   ARG  58          1HB       ARG  58  15.535   1.068   5.622
  449   1HG   ARG  58          2HG       ARG  58  12.822   2.360   5.728
  450   2HG   ARG  58          1HG       ARG  58  13.902   2.022   7.081
  451   1HD   ARG  58          2HD       ARG  58  15.565   3.508   5.684
  452   2HD   ARG  58          1HD       ARG  58  14.069   4.130   4.987
  453    HE   ARG  58           HE       ARG  58  13.487   4.411   7.529
  454   1HH1  ARG  58          2HH1      ARG  58  16.530   5.045   5.918
  455   2HH1  ARG  58          1HH1      ARG  58  17.018   6.276   7.041
  456   1HH2  ARG  58          2HH2      ARG  58  14.142   6.023   9.036
  457   2HH2  ARG  58          1HH2      ARG  58  15.682   6.811   8.824
  458    H    ASP  59           H        ASP  59  13.296  -0.478   3.039
  459    HA   ASP  59           HA       ASP  59  15.424  -2.266   2.444
  460   1HB   ASP  59          2HB       ASP  59  12.575  -2.529   1.480
  461   2HB   ASP  59          1HB       ASP  59  13.742  -3.819   1.765
  462    H    TYR  60           H        TYR  60  13.538   0.005   0.594
  463    HA   TYR  60           HA       TYR  60  14.322  -0.899  -1.980
  464   1HB   TYR  60          2HB       TYR  60  12.559   0.505  -2.262
  465   2HB   TYR  60          1HB       TYR  60  12.926   1.418  -0.805
  466    HD1  TYR  60           1HD      TYR  60  13.809   1.016  -4.369
  467    HD2  TYR  60           2HD      TYR  60  14.008   3.507  -0.924
  468    HE1  TYR  60           1HE      TYR  60  14.635   2.866  -5.763
  469    HE2  TYR  60           2HE      TYR  60  14.836   5.367  -2.312
  470    HH   TYR  60           HH       TYR  60  14.830   5.224  -5.771
  471    H    LEU  61           H        LEU  61  15.629   1.387   0.366
  472    HA   LEU  61           HA       LEU  61  17.826   2.189  -1.307
  473   1HB   LEU  61          2HB       LEU  61  16.580   3.237   0.885
  474   2HB   LEU  61          1HB       LEU  61  18.063   2.610   1.584
  475    HG   LEU  61           HG       LEU  61  19.218   3.910  -0.363
  476   1HD1  LEU  61          1HD1      LEU  61  17.283   4.516  -1.621
  477   2HD1  LEU  61          2HD1      LEU  61  16.521   5.234  -0.202
  478   3HD1  LEU  61          3HD1      LEU  61  17.949   5.986  -0.911
  479   1HD2  LEU  61          1HD2      LEU  61  19.324   5.906   1.060
  480   2HD2  LEU  61          2HD2      LEU  61  17.964   5.297   2.002
  481   3HD2  LEU  61          3HD2      LEU  61  19.494   4.422   1.995
  482    H    ARG  62           H        ARG  62  17.211  -0.660   0.196
  483    HA   ARG  62           HA       ARG  62  19.906  -1.136   1.178
  484   1HB   ARG  62          2HB       ARG  62  17.369  -2.250   1.713
  485   2HB   ARG  62          1HB       ARG  62  18.333  -3.530   0.987
  486   1HG   ARG  62          2HG       ARG  62  18.749  -3.762   3.254
  487   2HG   ARG  62          1HG       ARG  62  20.141  -2.843   2.677
  488   1HD   ARG  62          2HD       ARG  62  17.718  -1.435   3.715
  489   2HD   ARG  62          1HD       ARG  62  18.915  -2.081   4.835
  490    HE   ARG  62           HE       ARG  62  20.409  -0.630   3.097
  491   1HH1  ARG  62          2HH1      ARG  62  17.599   0.070   5.068
  492   2HH1  ARG  62          1HH1      ARG  62  17.947   1.774   5.185
  493   1HH2  ARG  62          2HH2      ARG  62  20.890   1.612   3.263
  494   2HH2  ARG  62          1HH2      ARG  62  19.829   2.645   4.179
  495    H    LEU  63           H        LEU  63  18.061  -1.549  -1.675
  496    HA   LEU  63           HA       LEU  63  20.213  -3.194  -2.834
  497   1HB   LEU  63          2HB       LEU  63  18.152  -3.530  -4.581
  498   2HB   LEU  63          1HB       LEU  63  18.596  -4.657  -3.316
  499    HG   LEU  63           HG       LEU  63  16.873  -2.798  -2.100
  500   1HD1  LEU  63          1HD1      LEU  63  14.953  -2.682  -3.445
  501   2HD1  LEU  63          2HD1      LEU  63  16.289  -2.214  -4.498
  502   3HD1  LEU  63          3HD1      LEU  63  15.601  -3.835  -4.613
  503   1HD2  LEU  63          1HD2      LEU  63  17.225  -5.337  -1.839
  504   2HD2  LEU  63          2HD2      LEU  63  15.608  -4.675  -1.589
  505   3HD2  LEU  63          3HD2      LEU  63  16.008  -5.480  -3.109
  506    H    GLY  64           H        GLY  64  17.743  -0.759  -3.627
  507   1HA   GLY  64          1HA       GLY  64  19.473   0.210  -5.804
  508   2HA   GLY  64          2HA       GLY  64  17.769   0.602  -5.601
  509    H    GLY  65           H        GLY  65  20.243   0.631  -3.128
  510   1HA   GLY  65          1HA       GLY  65  20.127   3.566  -3.011
  511   2HA   GLY  65          2HA       GLY  65  19.720   2.619  -1.586
  512    H    SER  66           H        SER  66  22.244   2.081  -3.997
  513    HA   SER  66           HA       SER  66  24.127   1.265  -2.098
  514   1HB   SER  66          2HB       SER  66  25.292   2.148  -4.611
  515   2HB   SER  66          1HB       SER  66  25.192   0.527  -3.922
  516    HG   SER  66           HG       SER  66  23.570   0.125  -5.186
  517    H    GLY  67           H        GLY  67  23.342   3.809  -1.242
  518   1HA   GLY  67          1HA       GLY  67  25.834   5.361  -1.576
  519   2HA   GLY  67          2HA       GLY  67  24.283   6.084  -1.165
  520    H    GLY  68           H        GLY  68  23.509   3.997   0.671
  521   1HA   GLY  68          1HA       GLY  68  23.853   3.222   2.812
  522   2HA   GLY  68          2HA       GLY  68  25.530   3.730   2.679
  523    H    HIS  69           H        HIS  69  23.548   6.293   1.901
  524    HA   HIS  69           HA       HIS  69  23.631   7.297   4.670
  525   1HB   HIS  69          2HB       HIS  69  24.462   8.549   2.093
  526   2HB   HIS  69          1HB       HIS  69  23.748   9.590   3.313
  527    HD2  HIS  69           2HD      HIS  69  25.287   7.951   5.843
  528    HE1  HIS  69           1HE      HIS  69  28.696   9.552   3.914
  529    HE2  HIS  69           2HE      HIS  69  27.766   8.677   6.105
  530    H    MET  70           H        MET  70  22.289   9.727   4.074
  531    HA   MET  70           HA       MET  70  19.601   8.933   4.309
  532   1HB   MET  70          2HB       MET  70  20.989  11.546   3.840
  533   2HB   MET  70          1HB       MET  70  19.238  11.461   3.711
  534   1HG   MET  70          2HG       MET  70  19.961  10.158   6.104
  535   2HG   MET  70          1HG       MET  70  20.859  11.673   6.037
  536   1HE   MET  70          1HE       MET  70  20.134  13.723   6.623
  537   2HE   MET  70          2HE       MET  70  18.527  14.200   7.175
  538   3HE   MET  70          3HE       MET  70  19.470  13.036   8.106
  539    H    GLY  71           H        GLY  71  21.422  10.275   1.572
  540   1HA   GLY  71          1HA       GLY  71  20.934   9.305  -0.632
  541   2HA   GLY  71          2HA       GLY  71  19.234   9.349  -0.188
  542    H    SER  72           H        SER  72  20.828  12.059   0.948
  543    HA   SER  72           HA       SER  72  19.441  13.802  -0.822
  544   1HB   SER  72          2HB       SER  72  21.646  14.894   0.823
  545   2HB   SER  72          1HB       SER  72  19.959  15.404   0.708
  546    HG   SER  72           HG       SER  72  20.885  14.220   2.720
  547    H    GLY  73           H        GLY  73  20.286  13.018  -2.829
  548   1HA   GLY  73          1HA       GLY  73  23.016  13.046  -3.481
  549   2HA   GLY  73          2HA       GLY  73  21.692  12.980  -4.630
  550    H    GLY  74           H        GLY  74  23.856  14.221  -5.433
  551   1HA   GLY  74          1HA       GLY  74  23.217  16.595  -6.483
  552   2HA   GLY  74          2HA       GLY  74  23.718  17.071  -4.863
  553    H    ASP  75           H        ASP  75  25.645  14.906  -4.675
  554    HA   ASP  75           HA       ASP  75  27.903  16.163  -5.937
  555   1HB   ASP  75          2HB       ASP  75  28.264  15.250  -3.761
  556   2HB   ASP  75          1HB       ASP  75  27.560  13.704  -4.215
  557    H    VAL  76           H        VAL  76  29.360  15.039  -7.389
  558    HA   VAL  76           HA       VAL  76  28.134  13.984  -9.654
  559    HB   VAL  76           HB       VAL  76  31.001  13.444  -8.887
  560   1HG1  VAL  76          1HG1      VAL  76  30.173  14.141 -11.640
  561   2HG1  VAL  76          2HG1      VAL  76  31.402  13.009 -11.076
  562   3HG1  VAL  76          3HG1      VAL  76  29.698  12.553 -11.037
  563   1HG2  VAL  76          1HG2      VAL  76  30.665  15.781 -10.528
  564   2HG2  VAL  76          2HG2      VAL  76  29.785  15.959  -9.011
  565   3HG2  VAL  76          3HG2      VAL  76  31.513  15.603  -8.990
  566    H    MET  77           H        MET  77  27.093  12.149  -9.834
  567    HA   MET  77           HA       MET  77  27.484   9.977  -8.018
  568   1HB   MET  77          2HB       MET  77  25.873   9.715 -10.527
  569   2HB   MET  77          1HB       MET  77  25.552   9.069  -8.923
  570   1HG   MET  77          2HG       MET  77  24.576  10.982  -8.198
  571   2HG   MET  77          1HG       MET  77  25.552  12.008  -9.233
  572   1HE   MET  77          1HE       MET  77  22.377  13.250 -10.323
  573   2HE   MET  77          2HE       MET  77  23.988  13.452  -9.633
  574   3HE   MET  77          3HE       MET  77  23.784  13.359 -11.381
  575    H    VAL  78           H        VAL  78  29.409   8.979  -8.247
  576    HA   VAL  78           HA       VAL  78  30.510   8.342 -10.830
  577    HB   VAL  78           HB       VAL  78  32.306   7.226  -9.561
  578   1HG1  VAL  78          1HG1      VAL  78  33.195   9.258  -9.512
  579   2HG1  VAL  78          2HG1      VAL  78  31.590   9.987  -9.459
  580   3HG1  VAL  78          3HG1      VAL  78  32.410   9.548  -7.960
  581   1HG2  VAL  78          1HG2      VAL  78  32.332   7.077  -7.201
  582   2HG2  VAL  78          2HG2      VAL  78  30.898   8.092  -7.045
  583   3HG2  VAL  78          3HG2      VAL  78  30.758   6.464  -7.705
  584    H    VAL  79           H        VAL  79  28.028   7.047  -9.216
  585    HA   VAL  79           HA       VAL  79  28.662   4.247  -9.555
  586    HB   VAL  79           HB       VAL  79  25.965   4.357  -9.038
  587   1HG1  VAL  79          1HG1      VAL  79  28.330   3.513  -7.774
  588   2HG1  VAL  79          2HG1      VAL  79  27.405   4.406  -6.566
  589   3HG1  VAL  79          3HG1      VAL  79  26.673   3.035  -7.401
  590   1HG2  VAL  79          1HG2      VAL  79  25.596   6.560  -8.574
  591   2HG2  VAL  79          2HG2      VAL  79  26.087   6.005  -6.972
  592   3HG2  VAL  79          3HG2      VAL  79  27.248   6.832  -8.012
  593    H    GLY  80           H        GLY  80  27.427   6.746 -11.467
  594   1HA   GLY  80          1HA       GLY  80  26.823   6.623 -13.716
  595   2HA   GLY  80          2HA       GLY  80  26.720   4.874 -13.570
  596    H    GLU  81           H        GLU  81  24.943   4.417 -11.667
  597    HA   GLU  81           HA       GLU  81  22.443   5.134 -12.859
  598   1HB   GLU  81          2HB       GLU  81  22.847   3.833 -10.166
  599   2HB   GLU  81          1HB       GLU  81  21.449   3.709 -11.223
  600   1HG   GLU  81          2HG       GLU  81  23.954   2.793 -12.427
  601   2HG   GLU  81          1HG       GLU  81  23.431   1.867 -11.020
  602    HA   PRO  82           HA       PRO  82  21.516   8.969 -10.913
  603   1HB   PRO  82          2HB       PRO  82  18.818   7.742 -10.558
  604   2HB   PRO  82          1HB       PRO  82  19.250   9.317 -11.225
  605   1HG   PRO  82          2HG       PRO  82  18.573   7.345 -12.850
  606   2HG   PRO  82          1HG       PRO  82  19.938   8.402 -13.264
  607   1HD   PRO  82          2HD       PRO  82  19.952   5.611 -12.197
  608   2HD   PRO  82          1HD       PRO  82  21.036   6.374 -13.379
  609    H    THR  83           H        THR  83  19.521   6.530  -9.340
  610    HA   THR  83           HA       THR  83  19.113   5.980  -7.199
  611    HB   THR  83           HB       THR  83  21.717   6.758  -6.109
  612    HG1  THR  83           1HG      THR  83  22.315   6.384  -8.322
  613   1HG2  THR  83          1HG2      THR  83  19.972   4.350  -6.328
  614   2HG2  THR  83          2HG2      THR  83  20.564   5.173  -4.882
  615   3HG2  THR  83          3HG2      THR  83  21.656   4.162  -5.832
  616    H    LEU  84           H        LEU  84  21.452   8.409  -6.197
  617    HA   LEU  84           HA       LEU  84  19.444   9.622  -4.511
  618   1HB   LEU  84          2HB       LEU  84  22.043  10.969  -4.754
  619   2HB   LEU  84          1HB       LEU  84  21.156  10.488  -3.323
  620    HG   LEU  84           HG       LEU  84  22.562   8.411  -4.965
  621   1HD1  LEU  84          1HD1      LEU  84  23.860  10.622  -3.782
  622   2HD1  LEU  84          2HD1      LEU  84  24.180   9.213  -2.769
  623   3HD1  LEU  84          3HD1      LEU  84  24.582   9.173  -4.484
  624   1HD2  LEU  84          1HD2      LEU  84  21.566   8.694  -2.160
  625   2HD2  LEU  84          2HD2      LEU  84  21.264   7.409  -3.329
  626   3HD2  LEU  84          3HD2      LEU  84  22.840   7.535  -2.544
  627    H    MET  85           H        MET  85  17.995  10.733  -5.722
  628    HA   MET  85           HA       MET  85  18.955  12.579  -7.768
  629   1HB   MET  85          2HB       MET  85  16.832  10.894  -7.767
  630   2HB   MET  85          1HB       MET  85  16.055  12.386  -7.251
  631   1HG   MET  85          2HG       MET  85  17.801  12.897  -9.469
  632   2HG   MET  85          1HG       MET  85  16.686  11.588  -9.857
  633   1HE   MET  85          1HE       MET  85  14.341  11.825  -8.560
  634   2HE   MET  85          2HE       MET  85  13.310  13.237  -8.787
  635   3HE   MET  85          3HE       MET  85  13.747  12.232 -10.169
  636    H    GLY  86           H        GLY  86  19.490  13.231  -5.052
  637   1HA   GLY  86          1HA       GLY  86  19.501  15.103  -3.728
  638   2HA   GLY  86          2HA       GLY  86  18.704  15.931  -5.058
  639    H    GLY  87           H        GLY  87  18.116  13.822  -2.278
  640   1HA   GLY  87          1HA       GLY  87  16.455  14.086  -0.670
  641   2HA   GLY  87          2HA       GLY  87  15.714  15.327  -1.676
  642    H    GLU  88           H        GLU  88  14.673  14.484  -3.731
  643    HA   GLU  88           HA       GLU  88  12.998  12.247  -3.000
  644   1HB   GLU  88          2HB       GLU  88  12.846  13.673  -5.631
  645   2HB   GLU  88          1HB       GLU  88  11.552  12.948  -4.683
  646   1HG   GLU  88          2HG       GLU  88  11.087  14.958  -3.913
  647   2HG   GLU  88          1HG       GLU  88  12.618  14.935  -3.054
  648    H    PHE  89           H        PHE  89  14.710  10.601  -3.101
  649    HA   PHE  89           HA       PHE  89  16.020   9.956  -5.535
  650   1HB   PHE  89          2HB       PHE  89  15.600   7.558  -4.050
  651   2HB   PHE  89          1HB       PHE  89  17.083   8.471  -4.248
  652    HD1  PHE  89           1HD      PHE  89  17.341  10.530  -2.657
  653    HD2  PHE  89           2HD      PHE  89  14.747   7.237  -1.963
  654    HE1  PHE  89           1HE      PHE  89  17.346  11.040  -0.245
  655    HE2  PHE  89           2HE      PHE  89  14.743   7.737   0.445
  656    HZ   PHE  89           HZ       PHE  89  16.046   9.637   1.308
  657    H    GLY  90           H        GLY  90  13.914   7.682  -3.994
  658   1HA   GLY  90          1HA       GLY  90  12.282   7.502  -6.445
  659   2HA   GLY  90          2HA       GLY  90  12.930   6.060  -5.674
  660    H    ASP  91           H        ASP  91  11.550   8.928  -4.150
  661    HA   ASP  91           HA       ASP  91   9.524   7.198  -2.905
  662   1HB   ASP  91          2HB       ASP  91   9.412   9.393  -1.372
  663   2HB   ASP  91          1HB       ASP  91  10.553   8.096  -1.075
  664    H    GLU  92           H        GLU  92   9.698  10.694  -3.319
  665    HA   GLU  92           HA       GLU  92   6.939  10.975  -3.889
  666   1HB   GLU  92          2HB       GLU  92   9.258  12.842  -4.385
  667   2HB   GLU  92          1HB       GLU  92   7.570  13.296  -4.579
  668   1HG   GLU  92          2HG       GLU  92   7.804  12.155  -2.025
  669   2HG   GLU  92          1HG       GLU  92   9.172  13.248  -2.219
  670    H    ASP  93           H        ASP  93   9.579  10.080  -5.819
  671    HA   ASP  93           HA       ASP  93   8.165  10.673  -8.319
  672   1HB   ASP  93          2HB       ASP  93  10.648  11.277  -7.935
  673   2HB   ASP  93          1HB       ASP  93  10.954   9.552  -8.108
  674    H    GLU  94           H        GLU  94   7.581   8.509  -6.304
  675    HA   GLU  94           HA       GLU  94   7.903   6.190  -8.086
  676   1HB   GLU  94          2HB       GLU  94   8.803   6.342  -5.551
  677   2HB   GLU  94          1HB       GLU  94   7.174   5.757  -5.245
  678   1HG   GLU  94          2HG       GLU  94   9.306   4.173  -5.745
  679   2HG   GLU  94          1HG       GLU  94   7.627   3.710  -6.015
  680    H    ARG  95           H        ARG  95   6.143   4.604  -7.977
  681    HA   ARG  95           HA       ARG  95   3.580   5.922  -8.217
  682   1HB   ARG  95          2HB       ARG  95   4.697   3.853  -9.547
  683   2HB   ARG  95          1HB       ARG  95   3.745   2.971  -8.361
  684   1HG   ARG  95          2HG       ARG  95   1.737   4.164  -9.101
  685   2HG   ARG  95          1HG       ARG  95   2.703   5.014 -10.311
  686   1HD   ARG  95          2HD       ARG  95   3.022   2.114 -10.359
  687   2HD   ARG  95          1HD       ARG  95   1.380   2.652 -10.716
  688    HE   ARG  95           HE       ARG  95   2.206   3.848 -12.590
  689   1HH1  ARG  95          2HH1      ARG  95   4.622   1.837 -11.021
  690   2HH1  ARG  95          1HH1      ARG  95   5.724   1.886 -12.370
  691   1HH2  ARG  95          2HH2      ARG  95   3.634   3.894 -14.366
  692   2HH2  ARG  95          1HH2      ARG  95   5.155   3.052 -14.281
  693    H    LEU  96           H        LEU  96   2.968   6.519  -6.197
  694    HA   LEU  96           HA       LEU  96   3.093   4.722  -3.961
  695   1HB   LEU  96          2HB       LEU  96   1.406   7.167  -3.854
  696   2HB   LEU  96          1HB       LEU  96   2.482   6.497  -2.645
  697    HG   LEU  96           HG       LEU  96   3.526   7.802  -5.143
  698   1HD1  LEU  96          1HD1      LEU  96   3.846   9.565  -3.002
  699   2HD1  LEU  96          2HD1      LEU  96   2.808   9.765  -4.415
  700   3HD1  LEU  96          3HD1      LEU  96   2.159   9.046  -2.943
  701   1HD2  LEU  96          1HD2      LEU  96   5.369   8.255  -3.291
  702   2HD2  LEU  96          2HD2      LEU  96   4.658   6.804  -2.588
  703   3HD2  LEU  96          3HD2      LEU  96   5.324   6.757  -4.220
  704    H    ILE  97           H        ILE  97   1.252   4.077  -2.690
  705    HA   ILE  97           HA       ILE  97  -0.965   3.208  -4.327
  706    HB   ILE  97           HB       ILE  97  -1.644   2.404  -1.831
  707   1HG1  ILE  97          2HG1      ILE  97   1.219   1.744  -1.718
  708   2HG1  ILE  97          1HG1      ILE  97   0.841   3.431  -1.402
  709   1HG2  ILE  97          1HG2      ILE  97  -0.720   0.221  -2.447
  710   2HG2  ILE  97          2HG2      ILE  97  -1.550   0.991  -3.798
  711   3HG2  ILE  97          3HG2      ILE  97   0.212   0.985  -3.734
  712   1HD1  ILE  97          1HD1      ILE  97  -0.414   2.922   0.488
  713   2HD1  ILE  97          2HD1      ILE  97  -0.597   1.228   0.023
  714   3HD1  ILE  97          3HD1      ILE  97   0.967   1.828   0.581
  715    H    THR  98           H        THR  98  -3.157   3.589  -3.680
  716    HA   THR  98           HA       THR  98  -3.521   5.937  -1.974
  717    HB   THR  98           HB       THR  98  -3.757   6.387  -4.509
  718    HG1  THR  98           1HG      THR  98  -4.508   7.905  -3.071
  719   1HG2  THR  98          1HG2      THR  98  -5.054   4.438  -5.100
  720   2HG2  THR  98          2HG2      THR  98  -5.994   5.899  -5.418
  721   3HG2  THR  98          3HG2      THR  98  -6.334   4.922  -3.987
  722    H    ARG  99           H        ARG  99  -5.311   5.879  -0.667
  723    HA   ARG  99           HA       ARG  99  -6.370   3.215  -0.194
  724   1HB   ARG  99          2HB       ARG  99  -6.791   5.809   1.317
  725   2HB   ARG  99          1HB       ARG  99  -7.360   4.231   1.837
  726   1HG   ARG  99          2HG       ARG  99  -4.481   4.392   1.294
  727   2HG   ARG  99          1HG       ARG  99  -5.050   5.379   2.640
  728   1HD   ARG  99          2HD       ARG  99  -5.216   2.403   2.287
  729   2HD   ARG  99          1HD       ARG  99  -4.474   3.316   3.597
  730    HE   ARG  99           HE       ARG  99  -7.237   3.869   3.551
  731   1HH1  ARG  99          2HH1      ARG  99  -4.976   1.321   4.375
  732   2HH1  ARG  99          1HH1      ARG  99  -6.077   0.527   5.466
  733   1HH2  ARG  99          2HH2      ARG  99  -8.691   2.810   4.976
  734   2HH2  ARG  99          1HH2      ARG  99  -8.206   1.332   5.751
  735    H    LEU 100           H        LEU 100  -8.022   2.658  -1.504
  736    HA   LEU 100           HA       LEU 100 -10.104   4.680  -1.982
  737   1HB   LEU 100          2HB       LEU 100  -8.709   3.510  -3.892
  738   2HB   LEU 100          1HB       LEU 100  -9.911   2.250  -3.677
  739    HG   LEU 100           HG       LEU 100 -11.577   4.302  -3.893
  740   1HD1  LEU 100          1HD1      LEU 100  -9.181   5.595  -4.271
  741   2HD1  LEU 100          2HD1      LEU 100  -9.746   5.329  -5.920
  742   3HD1  LEU 100          3HD1      LEU 100 -10.766   6.194  -4.769
  743   1HD2  LEU 100          1HD2      LEU 100 -10.385   3.472  -6.482
  744   2HD2  LEU 100          2HD2      LEU 100 -10.980   2.197  -5.417
  745   3HD2  LEU 100          3HD2      LEU 100 -12.070   3.477  -5.956
  746    H    GLU 101           H        GLU 101 -12.235   3.745  -2.431
  747    HA   GLU 101           HA       GLU 101 -12.876   1.735  -0.390
  748   1HB   GLU 101          2HB       GLU 101 -14.975   3.221  -1.913
  749   2HB   GLU 101          1HB       GLU 101 -15.026   2.588  -0.275
  750   1HG   GLU 101          2HG       GLU 101 -13.046   4.501  -0.174
  751   2HG   GLU 101          1HG       GLU 101 -14.262   5.203  -1.241
  752    H    ASN 102           H        ASN 102 -13.816  -0.148  -0.887
  753    HA   ASN 102           HA       ASN 102 -14.009  -0.909  -3.697
  754   1HB   ASN 102          2HB       ASN 102 -13.117  -2.492  -1.921
  755   2HB   ASN 102          1HB       ASN 102 -14.756  -2.561  -1.274
  756   1HD2  ASN 102          1HD2      ASN 102 -14.634  -4.826  -1.702
  757   2HD2  ASN 102          2HD2      ASN 102 -14.959  -5.421  -3.305
  758    H    THR 103           H        THR 103 -15.898  -0.116  -0.898
  759    HA   THR 103           HA       THR 103 -18.292   0.084  -2.588
  760    HB   THR 103           HB       THR 103 -19.231  -0.107   0.005
  761    HG1  THR 103           1HG      THR 103 -18.092  -2.359   0.366
  762   1HG2  THR 103          1HG2      THR 103 -20.518  -1.200  -1.491
  763   2HG2  THR 103          2HG2      THR 103 -19.654  -2.586  -0.829
  764   3HG2  THR 103          3HG2      THR 103 -19.138  -1.875  -2.359
  765    H    GLN 104           H        GLN 104 -18.265   0.945   0.729
  766    HA   GLN 104           HA       GLN 104 -17.296   3.567   0.657
  767   1HB   GLN 104          2HB       GLN 104 -19.586   4.698   1.029
  768   2HB   GLN 104          1HB       GLN 104 -19.115   4.338  -0.624
  769   1HG   GLN 104          2HG       GLN 104 -20.486   2.283  -0.518
  770   2HG   GLN 104          1HG       GLN 104 -21.025   2.768   1.087
  771   1HE2  GLN 104          1HE2      GLN 104 -21.892   2.701  -2.028
  772   2HE2  GLN 104          2HE2      GLN 104 -23.000   4.041  -2.070
  773    H    PHE 105           H        PHE 105 -16.398   3.051   2.606
  774    HA   PHE 105           HA       PHE 105 -18.180   2.813   4.906
  775   1HB   PHE 105          2HB       PHE 105 -17.713   0.522   3.711
  776   2HB   PHE 105          1HB       PHE 105 -16.172   0.628   4.548
  777    HD1  PHE 105           1HD      PHE 105 -19.583   1.598   5.672
  778    HD2  PHE 105           2HD      PHE 105 -16.233  -0.967   6.199
  779    HE1  PHE 105           1HE      PHE 105 -20.627   0.650   7.689
  780    HE2  PHE 105           2HE      PHE 105 -17.267  -1.908   8.221
  781    HZ   PHE 105           HZ       PHE 105 -19.468  -1.102   8.965
  782    H    ASP 106           H        ASP 106 -14.924   1.613   4.596
  783    HA   ASP 106           HA       ASP 106 -13.234   1.741   6.149
  784   1HB   ASP 106          2HB       ASP 106 -12.671   2.951   4.036
  785   2HB   ASP 106          1HB       ASP 106 -13.095   4.444   4.841
  786    H    ALA 107           H        ALA 107 -13.885   5.121   6.095
  787    HA   ALA 107           HA       ALA 107 -14.868   5.229   8.795
  788   1HB   ALA 107          1HB       ALA 107 -12.337   4.861   8.972
  789   2HB   ALA 107          2HB       ALA 107 -12.186   6.516   8.381
  790   3HB   ALA 107          3HB       ALA 107 -13.036   6.194   9.892
  791    H    ALA 108           H        ALA 108 -15.695   6.112   6.211
  792    HA   ALA 108           HA       ALA 108 -15.222   8.869   5.796
  793   1HB   ALA 108          1HB       ALA 108 -17.836   7.978   4.891
  794   2HB   ALA 108          2HB       ALA 108 -16.452   8.559   3.963
  795   3HB   ALA 108          3HB       ALA 108 -16.545   6.863   4.439
  796    H    ASN 109           H        ASN 109 -16.861   7.346   8.265
  797    HA   ASN 109           HA       ASN 109 -19.024   9.083   8.748
  798   1HB   ASN 109          2HB       ASN 109 -18.573   8.211  11.173
  799   2HB   ASN 109          1HB       ASN 109 -19.183   7.116   9.945
  800   1HD2  ASN 109          1HD2      ASN 109 -18.343   5.222  10.377
  801   2HD2  ASN 109          2HD2      ASN 109 -16.661   4.884  10.685
  802    H    GLY 110           H        GLY 110 -15.610   9.344   9.301
  803   1HA   GLY 110          1HA       GLY 110 -15.336  11.979   9.571
  804   2HA   GLY 110          2HA       GLY 110 -15.920  11.552  11.174
  805    H    ILE 111           H        ILE 111 -14.481   8.894  10.867
  806    HA   ILE 111           HA       ILE 111 -12.124   9.665  12.224
  807    HB   ILE 111           HB       ILE 111 -12.608   6.971  10.963
  808   1HG1  ILE 111          2HG1      ILE 111 -14.558   7.689  12.327
  809   2HG1  ILE 111          1HG1      ILE 111 -13.725   6.291  13.001
  810   1HG2  ILE 111          1HG2      ILE 111 -11.036   6.113  12.438
  811   2HG2  ILE 111          2HG2      ILE 111 -10.337   7.663  11.970
  812   3HG2  ILE 111          3HG2      ILE 111 -11.152   7.497  13.525
  813   1HD1  ILE 111          1HD1      ILE 111 -12.484   8.351  14.279
  814   2HD1  ILE 111          2HD1      ILE 111 -14.131   8.959  14.111
  815   3HD1  ILE 111          3HD1      ILE 111 -13.837   7.418  14.922
  816    H    ASP 112           H        ASP 112 -12.782   8.735   8.913
  817    HA   ASP 112           HA       ASP 112 -10.458  10.076   7.960
  818   1HB   ASP 112          2HB       ASP 112  -9.954   7.460   8.697
  819   2HB   ASP 112          1HB       ASP 112 -10.272   7.329   6.968
  820    H    ASP 113           H        ASP 113 -12.541  10.981   7.122
  821    HA   ASP 113           HA       ASP 113 -13.842   9.513   4.998
  822   1HB   ASP 113          2HB       ASP 113 -15.383  10.871   6.049
  823   2HB   ASP 113          1HB       ASP 113 -14.216  12.154   6.338
  824    H    GLU 114           H        GLU 114 -12.967   9.344   3.045
  825    HA   GLU 114           HA       GLU 114 -11.732  11.665   1.794
  826   1HB   GLU 114          2HB       GLU 114 -10.085   9.990   3.098
  827   2HB   GLU 114          1HB       GLU 114 -10.195   9.139   1.563
  828   1HG   GLU 114          2HG       GLU 114  -9.686  11.529   0.589
  829   2HG   GLU 114          1HG       GLU 114  -9.000  11.783   2.191
  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1 -14.295  -7.342 -17.356
    2   2H    GLY   1          2H        GLY   1 -14.032  -8.800 -16.536
    3   3H    GLY   1          3H        GLY   1 -12.714  -7.914 -17.136
    4   1HA   GLY   1          2HA       GLY   1 -12.619  -7.291 -14.961
    5   2HA   GLY   1          1HA       GLY   1 -13.675  -6.044 -15.614
    6    H    SER   2           H        SER   2 -13.352  -8.559 -13.379
    7    HA   SER   2           HA       SER   2 -16.224  -8.445 -12.757
    8   1HB   SER   2          2HB       SER   2 -14.397 -10.612 -11.763
    9   2HB   SER   2          1HB       SER   2 -16.148 -10.650 -11.975
   10    HG   SER   2           HG       SER   2 -14.263 -10.477 -14.103
   11    H    LEU   3           H        LEU   3 -14.812  -9.952 -10.221
   12    HA   LEU   3           HA       LEU   3 -14.921  -7.625  -8.545
   13   1HB   LEU   3          2HB       LEU   3 -13.948 -10.419  -7.954
   14   2HB   LEU   3          1HB       LEU   3 -14.187  -9.161  -6.760
   15    HG   LEU   3           HG       LEU   3 -16.460 -10.089  -8.484
   16   1HD1  LEU   3          1HD1      LEU   3 -15.426 -11.351  -5.957
   17   2HD1  LEU   3          2HD1      LEU   3 -17.050 -11.610  -6.590
   18   3HD1  LEU   3          3HD1      LEU   3 -15.648 -12.110  -7.531
   19   1HD2  LEU   3          1HD2      LEU   3 -16.123  -8.551  -5.946
   20   2HD2  LEU   3          2HD2      LEU   3 -17.122  -8.193  -7.357
   21   3HD2  LEU   3          3HD2      LEU   3 -17.610  -9.458  -6.229
   22    H    LEU   4           H        LEU   4 -12.987  -7.406  -6.918
   23    HA   LEU   4           HA       LEU   4 -10.680  -6.806  -8.586
   24   1HB   LEU   4          2HB       LEU   4 -10.865  -6.266  -5.647
   25   2HB   LEU   4          1HB       LEU   4  -9.929  -5.412  -6.865
   26    HG   LEU   4           HG       LEU   4 -12.825  -5.279  -7.306
   27   1HD1  LEU   4          1HD1      LEU   4 -12.069  -3.428  -5.191
   28   2HD1  LEU   4          2HD1      LEU   4 -13.536  -4.386  -5.390
   29   3HD1  LEU   4          3HD1      LEU   4 -12.100  -5.111  -4.665
   30   1HD2  LEU   4          1HD2      LEU   4 -11.264  -2.835  -6.929
   31   2HD2  LEU   4          2HD2      LEU   4 -10.586  -3.945  -8.125
   32   3HD2  LEU   4          3HD2      LEU   4 -12.241  -3.361  -8.300
   33    H    THR   5           H        THR   5  -8.555  -7.410  -7.971
   34    HA   THR   5           HA       THR   5  -8.349  -9.692  -6.152
   35    HB   THR   5           HB       THR   5  -6.467 -10.253  -8.117
   36    HG1  THR   5           1HG      THR   5  -8.926 -10.006  -9.492
   37   1HG2  THR   5          1HG2      THR   5  -9.163 -11.384  -7.451
   38   2HG2  THR   5          2HG2      THR   5  -7.570 -12.001  -7.011
   39   3HG2  THR   5          3HG2      THR   5  -8.132 -12.114  -8.680
   40    H    CYS   6           H        CYS   6  -6.602  -9.606  -4.875
   41    HA   CYS   6           HA       CYS   6  -4.934  -7.246  -5.100
   42   1HB   CYS   6          2HB       CYS   6  -5.411  -7.253  -2.912
   43   2HB   CYS   6          1HB       CYS   6  -5.967  -8.921  -2.963
   44    H    GLY   7           H        GLY   7  -2.678  -7.309  -5.137
   45   1HA   GLY   7          1HA       GLY   7  -1.651  -9.687  -6.459
   46   2HA   GLY   7          2HA       GLY   7  -0.860  -8.119  -6.371
   47    H    GLY   8           H        GLY   8  -1.876  -8.776  -3.324
   48   1HA   GLY   8          1HA       GLY   8   0.819  -9.539  -2.518
   49   2HA   GLY   8          2HA       GLY   8  -0.489  -9.030  -1.454
   50    H    CYS   9           H        CYS   9  -2.490 -10.763  -2.193
   51    HA   CYS   9           HA       CYS   9  -1.351 -13.369  -1.428
   52   1HB   CYS   9          2HB       CYS   9  -3.420 -13.838  -0.238
   53   2HB   CYS   9          1HB       CYS   9  -2.733 -12.325   0.340
   54    H    GLN  10           H        GLN  10  -3.602 -11.661  -3.464
   55    HA   GLN  10           HA       GLN  10  -4.586 -12.154  -5.439
   56   1HB   GLN  10          2HB       GLN  10  -2.354 -13.967  -5.337
   57   2HB   GLN  10          1HB       GLN  10  -3.721 -14.739  -6.130
   58   1HG   GLN  10          2HG       GLN  10  -2.838 -11.987  -6.903
   59   2HG   GLN  10          1HG       GLN  10  -2.051 -13.423  -7.557
   60   1HE2  GLN  10          1HE2      GLN  10  -3.933 -11.218  -8.578
   61   2HE2  GLN  10          2HE2      GLN  10  -5.107 -12.110  -9.506
   62    H    GLN  11           H        GLN  11  -5.641 -13.076  -2.804
   63    HA   GLN  11           HA       GLN  11  -7.198 -15.410  -3.610
   64   1HB   GLN  11          2HB       GLN  11  -7.695 -15.752  -1.366
   65   2HB   GLN  11          1HB       GLN  11  -6.067 -15.103  -1.311
   66   1HG   GLN  11          2HG       GLN  11  -7.114 -12.848  -0.869
   67   2HG   GLN  11          1HG       GLN  11  -8.641 -13.708  -0.644
   68   1HE2  GLN  11          1HE2      GLN  11  -5.447 -13.151   0.603
   69   2HE2  GLN  11          2HE2      GLN  11  -5.731 -13.808   2.190
   70    H    ASN  12           H        ASN  12  -7.500 -12.511  -4.556
   71    HA   ASN  12           HA       ASN  12  -9.194 -11.267  -5.412
   72   1HB   ASN  12          2HB       ASN  12 -10.303 -13.487  -5.805
   73   2HB   ASN  12          1HB       ASN  12 -11.104 -13.307  -4.244
   74   1HD2  ASN  12          1HD2      ASN  12 -11.231 -12.655  -7.545
   75   2HD2  ASN  12          2HD2      ASN  12 -12.591 -11.573  -7.531
   76    H    ILE  13           H        ILE  13 -10.202  -9.437  -4.715
   77    HA   ILE  13           HA       ILE  13 -10.476  -9.192  -1.805
   78    HB   ILE  13           HB       ILE  13 -10.718  -6.833  -3.596
   79   1HG1  ILE  13          2HG1      ILE  13  -8.006  -7.560  -2.624
   80   2HG1  ILE  13          1HG1      ILE  13  -8.607  -8.399  -4.047
   81   1HG2  ILE  13          1HG2      ILE  13 -10.527  -7.332  -0.811
   82   2HG2  ILE  13          2HG2      ILE  13  -9.099  -6.414  -1.297
   83   3HG2  ILE  13          3HG2      ILE  13 -10.717  -5.787  -1.638
   84   1HD1  ILE  13          1HD1      ILE  13  -8.575  -6.534  -5.344
   85   2HD1  ILE  13          2HD1      ILE  13  -8.816  -5.444  -3.977
   86   3HD1  ILE  13          3HD1      ILE  13  -7.235  -6.174  -4.251
   87    H    GLY  14           H        GLY  14 -12.431 -10.001  -1.371
   88   1HA   GLY  14          1HA       GLY  14 -14.751  -8.656  -2.624
   89   2HA   GLY  14          2HA       GLY  14 -14.809 -10.291  -1.957
   90    H    ASP  15           H        ASP  15 -12.821  -8.169  -0.325
   91    HA   ASP  15           HA       ASP  15 -14.296  -8.353   2.089
   92   1HB   ASP  15          2HB       ASP  15 -11.937  -6.568   1.432
   93   2HB   ASP  15          1HB       ASP  15 -12.502  -6.992   3.046
   94    H    ARG  16           H        ARG  16 -14.599  -6.267   3.427
   95    HA   ARG  16           HA       ARG  16 -16.559  -4.714   2.088
   96   1HB   ARG  16          2HB       ARG  16 -16.081  -3.295   4.373
   97   2HB   ARG  16          1HB       ARG  16 -17.190  -4.650   4.237
   98   1HG   ARG  16          2HG       ARG  16 -16.004  -5.299   6.058
   99   2HG   ARG  16          1HG       ARG  16 -15.021  -6.037   4.793
  100   1HD   ARG  16          2HD       ARG  16 -14.094  -3.401   5.102
  101   2HD   ARG  16          1HD       ARG  16 -14.297  -4.057   6.726
  102    HE   ARG  16           HE       ARG  16 -13.006  -6.046   5.393
  103   1HH1  ARG  16          2HH1      ARG  16 -12.320  -2.669   6.062
  104   2HH1  ARG  16          1HH1      ARG  16 -10.599  -2.843   5.809
  105   1HH2  ARG  16          2HH2      ARG  16 -10.776  -6.301   5.162
  106   2HH2  ARG  16          1HH2      ARG  16  -9.715  -4.926   5.358
  107    H    TYR  17           H        TYR  17 -13.225  -4.093   3.038
  108    HA   TYR  17           HA       TYR  17 -13.282  -1.668   1.384
  109   1HB   TYR  17          2HB       TYR  17 -13.234  -1.578   4.130
  110   2HB   TYR  17          1HB       TYR  17 -11.517  -1.541   3.736
  111    HD1  TYR  17           1HD      TYR  17 -14.710   0.050   2.665
  112    HD2  TYR  17           2HD      TYR  17 -10.545   0.532   3.368
  113    HE1  TYR  17           1HE      TYR  17 -14.905   2.436   2.134
  114    HE2  TYR  17           2HE      TYR  17 -10.733   2.930   2.850
  115    HH   TYR  17           HH       TYR  17 -13.823   4.321   1.763
  116    H    PHE  18           H        PHE  18 -11.235  -1.153   0.412
  117    HA   PHE  18           HA       PHE  18  -9.070  -3.049   0.791
  118   1HB   PHE  18          2HB       PHE  18  -9.022  -3.950  -1.372
  119   2HB   PHE  18          1HB       PHE  18 -10.706  -4.039  -0.888
  120    HD1  PHE  18           1HD      PHE  18  -8.579  -3.287  -3.497
  121    HD2  PHE  18           2HD      PHE  18 -12.106  -1.845  -1.602
  122    HE1  PHE  18           1HE      PHE  18  -9.226  -2.142  -5.573
  123    HE2  PHE  18           2HE      PHE  18 -12.758  -0.705  -3.675
  124    HZ   PHE  18           HZ       PHE  18 -11.318  -0.852  -5.665
  125    H    LEU  19           H        LEU  19  -7.386  -2.574  -1.116
  126    HA   LEU  19           HA       LEU  19  -7.034   0.344  -1.261
  127   1HB   LEU  19          2HB       LEU  19  -5.279  -1.767  -0.098
  128   2HB   LEU  19          1HB       LEU  19  -4.518  -0.433  -0.932
  129    HG   LEU  19           HG       LEU  19  -6.409  -0.104   1.389
  130   1HD1  LEU  19          1HD1      LEU  19  -3.590   0.556   1.766
  131   2HD1  LEU  19          2HD1      LEU  19  -4.707  -0.300   2.828
  132   3HD1  LEU  19          3HD1      LEU  19  -3.894  -1.164   1.523
  133   1HD2  LEU  19          1HD2      LEU  19  -4.539   2.029   0.859
  134   2HD2  LEU  19          2HD2      LEU  19  -5.562   1.705  -0.541
  135   3HD2  LEU  19          3HD2      LEU  19  -6.295   2.084   1.018
  136    H    LYS  20           H        LYS  20  -5.690   1.062  -2.977
  137    HA   LYS  20           HA       LYS  20  -4.517  -0.901  -4.737
  138   1HB   LYS  20          2HB       LYS  20  -5.792   1.251  -6.267
  139   2HB   LYS  20          1HB       LYS  20  -5.688  -0.460  -6.639
  140   1HG   LYS  20          2HG       LYS  20  -7.863  -0.557  -6.255
  141   2HG   LYS  20          1HG       LYS  20  -7.492  -0.299  -4.551
  142   1HD   LYS  20          2HD       LYS  20  -8.299   1.788  -4.580
  143   2HD   LYS  20          1HD       LYS  20  -7.496   2.164  -6.106
  144   1HE   LYS  20          2HE       LYS  20 -10.001   0.508  -5.914
  145   2HE   LYS  20          1HE       LYS  20 -10.012   2.254  -6.141
  146   1HZ   LYS  20          1HZ       LYS  20  -9.790   0.291  -8.088
  147   2HZ   LYS  20          2HZ       LYS  20  -8.278   1.071  -8.028
  148   3HZ   LYS  20          3HZ       LYS  20  -9.690   1.970  -8.294
  149    H    ALA  21           H        ALA  21  -3.109   0.411  -6.411
  150    HA   ALA  21           HA       ALA  21  -2.519   3.118  -5.888
  151   1HB   ALA  21          1HB       ALA  21  -0.553   1.220  -4.620
  152   2HB   ALA  21          2HB       ALA  21  -0.419   2.975  -4.700
  153   3HB   ALA  21          3HB       ALA  21  -1.700   2.232  -3.743
  154    H    ILE  22           H        ILE  22  -0.086   0.636  -6.165
  155    HA   ILE  22           HA       ILE  22   1.544   1.628  -7.998
  156    HB   ILE  22           HB       ILE  22   0.772  -1.281  -8.150
  157   1HG1  ILE  22          2HG1      ILE  22   2.205   0.247  -5.989
  158   2HG1  ILE  22          1HG1      ILE  22   0.917  -0.941  -5.828
  159   1HG2  ILE  22          1HG2      ILE  22   2.941  -1.686  -8.859
  160   2HG2  ILE  22          2HG2      ILE  22   2.531  -0.181  -9.683
  161   3HG2  ILE  22          3HG2      ILE  22   3.539  -0.147  -8.238
  162   1HD1  ILE  22          1HD1      ILE  22   3.234  -1.640  -5.100
  163   2HD1  ILE  22          2HD1      ILE  22   2.377  -2.729  -6.192
  164   3HD1  ILE  22          3HD1      ILE  22   3.649  -1.676  -6.815
  165    H    ASP  23           H        ASP  23  -1.149  -0.468  -8.933
  166    HA   ASP  23           HA       ASP  23  -2.078   0.974 -11.091
  167   1HB   ASP  23          2HB       ASP  23   0.216   0.381 -12.047
  168   2HB   ASP  23          1HB       ASP  23  -0.332  -1.293 -12.074
  169    H    GLN  24           H        GLN  24  -1.778  -1.716  -9.178
  170    HA   GLN  24           HA       GLN  24  -4.161  -2.956 -10.344
  171   1HB   GLN  24          2HB       GLN  24  -3.289  -5.082  -9.213
  172   2HB   GLN  24          1HB       GLN  24  -2.467  -4.558 -10.675
  173   1HG   GLN  24          2HG       GLN  24  -1.368  -3.567  -8.127
  174   2HG   GLN  24          1HG       GLN  24  -1.200  -5.291  -8.442
  175   1HE2  GLN  24          1HE2      GLN  24   1.118  -4.324  -8.304
  176   2HE2  GLN  24          2HE2      GLN  24   1.841  -3.908  -9.827
  177    H    TYR  25           H        TYR  25  -4.818  -4.640  -8.301
  178    HA   TYR  25           HA       TYR  25  -5.443  -2.704  -6.179
  179   1HB   TYR  25          2HB       TYR  25  -6.966  -5.252  -6.672
  180   2HB   TYR  25          1HB       TYR  25  -7.477  -3.821  -5.773
  181    HD1  TYR  25           1HD      TYR  25  -8.139  -5.558  -8.602
  182    HD2  TYR  25           2HD      TYR  25  -7.194  -1.583  -7.413
  183    HE1  TYR  25           1HE      TYR  25  -9.203  -4.699 -10.649
  184    HE2  TYR  25           2HE      TYR  25  -8.261  -0.712  -9.451
  185    HH   TYR  25           HH       TYR  25  -8.874  -2.467 -12.090
  186    H    TRP  26           H        TRP  26  -5.574  -3.456  -4.017
  187    HA   TRP  26           HA       TRP  26  -3.972  -5.831  -3.409
  188   1HB   TRP  26          2HB       TRP  26  -3.455  -3.086  -2.223
  189   2HB   TRP  26          1HB       TRP  26  -2.572  -4.565  -1.864
  190    HD1  TRP  26           HD       TRP  26  -2.821  -1.780  -4.446
  191    HE1  TRP  26           1HE      TRP  26  -0.858  -2.000  -6.095
  192    HE3  TRP  26           3HE      TRP  26  -0.993  -6.304  -2.931
  193    HZ2  TRP  26           2HZ      TRP  26   1.197  -3.846  -6.679
  194    HZ3  TRP  26           3HZ      TRP  26   0.973  -7.227  -4.084
  195    HH2  TRP  26           HH       TRP  26   2.046  -6.021  -5.919
  196    H    HIS  27           H        HIS  27  -3.751  -5.556  -0.789
  197    HA   HIS  27           HA       HIS  27  -6.477  -5.180   0.274
  198   1HB   HIS  27          2HB       HIS  27  -4.459  -7.330   0.776
  199   2HB   HIS  27          1HB       HIS  27  -5.383  -6.755   2.158
  200    HD2  HIS  27           2HD      HIS  27  -8.333  -6.726   1.289
  201    HE1  HIS  27           1HE      HIS  27  -7.627 -10.494  -0.512
  202    HE2  HIS  27           2HE      HIS  27  -9.381  -8.987   0.559
  203    H    GLU  28           H        GLU  28  -6.293  -4.544   2.710
  204    HA   GLU  28           HA       GLU  28  -4.501  -2.354   2.977
  205   1HB   GLU  28          2HB       GLU  28  -5.866  -3.647   5.303
  206   2HB   GLU  28          1HB       GLU  28  -5.539  -1.960   5.004
  207   1HG   GLU  28          2HG       GLU  28  -7.407  -1.650   3.770
  208   2HG   GLU  28          1HG       GLU  28  -7.403  -3.309   3.165
  209    H    ASP  29           H        ASP  29  -4.769  -5.523   4.520
  210    HA   ASP  29           HA       ASP  29  -2.236  -5.165   5.868
  211   1HB   ASP  29          2HB       ASP  29  -4.480  -6.350   6.667
  212   2HB   ASP  29          1HB       ASP  29  -3.702  -7.759   5.954
  213    H    CYS  30           H        CYS  30  -2.831  -5.948   2.824
  214    HA   CYS  30           HA       CYS  30  -0.935  -8.177   2.684
  215   1HB   CYS  30          2HB       CYS  30  -3.029  -7.114   0.854
  216   2HB   CYS  30          1HB       CYS  30  -1.640  -7.929   0.146
  217    H    LEU  31           H        LEU  31  -1.505  -4.976   1.228
  218    HA   LEU  31           HA       LEU  31   0.864  -4.962  -0.273
  219   1HB   LEU  31          2HB       LEU  31  -1.077  -3.473  -0.697
  220   2HB   LEU  31          1HB       LEU  31  -0.658  -2.562   0.742
  221    HG   LEU  31           HG       LEU  31   1.342  -1.738  -0.239
  222   1HD1  LEU  31          1HD1      LEU  31   1.316  -4.133  -1.708
  223   2HD1  LEU  31          2HD1      LEU  31   1.243  -2.823  -2.884
  224   3HD1  LEU  31          3HD1      LEU  31   2.553  -2.877  -1.706
  225   1HD2  LEU  31          1HD2      LEU  31  -0.595  -1.677  -2.526
  226   2HD2  LEU  31          2HD2      LEU  31  -0.911  -0.821  -1.016
  227   3HD2  LEU  31          3HD2      LEU  31   0.513  -0.419  -1.976
  228    H    SER  32           H        SER  32   2.617  -5.504   0.854
  229    HA   SER  32           HA       SER  32   3.670  -3.463   2.670
  230   1HB   SER  32          2HB       SER  32   4.610  -6.203   3.216
  231   2HB   SER  32          1HB       SER  32   4.141  -4.929   4.344
  232    HG   SER  32           HG       SER  32   2.079  -6.043   2.871
  233    H    CYS  33           H        CYS  33   6.207  -3.897   2.815
  234    HA   CYS  33           HA       CYS  33   7.085  -3.837   0.126
  235   1HB   CYS  33          2HB       CYS  33   9.268  -3.376   1.109
  236   2HB   CYS  33          1HB       CYS  33   8.022  -2.339   1.770
  237    H    ASP  34           H        ASP  34   9.137  -5.074  -0.456
  238    HA   ASP  34           HA       ASP  34   8.351  -7.704  -0.749
  239   1HB   ASP  34          2HB       ASP  34   9.966  -6.265  -2.180
  240   2HB   ASP  34          1HB       ASP  34  11.219  -6.943  -1.141
  241    H    LEU  35           H        LEU  35  11.235  -6.628   1.072
  242    HA   LEU  35           HA       LEU  35  11.557  -9.345   1.985
  243   1HB   LEU  35          2HB       LEU  35  13.429  -7.857   1.231
  244   2HB   LEU  35          1HB       LEU  35  13.231  -6.958   2.722
  245    HG   LEU  35           HG       LEU  35  13.843  -8.902   4.031
  246   1HD1  LEU  35          1HD1      LEU  35  13.047 -10.776   2.933
  247   2HD1  LEU  35          2HD1      LEU  35  13.721 -10.279   1.380
  248   3HD1  LEU  35          3HD1      LEU  35  14.786 -10.888   2.648
  249   1HD2  LEU  35          1HD2      LEU  35  15.852  -8.674   1.807
  250   2HD2  LEU  35          2HD2      LEU  35  15.577  -7.376   2.970
  251   3HD2  LEU  35          3HD2      LEU  35  16.140  -8.953   3.524
  252    H    CYS  36           H        CYS  36  11.518  -6.249   3.802
  253    HA   CYS  36           HA       CYS  36  11.221  -7.520   6.282
  254   1HB   CYS  36          2HB       CYS  36  10.132  -4.792   6.092
  255   2HB   CYS  36          1HB       CYS  36  11.385  -5.440   7.149
  256    H    GLY  37           H        GLY  37   8.823  -5.898   4.236
  257   1HA   GLY  37          1HA       GLY  37   6.590  -6.302   3.948
  258   2HA   GLY  37          2HA       GLY  37   6.893  -7.878   4.665
  259    H    CYS  38           H        CYS  38   7.121  -4.621   6.084
  260    HA   CYS  38           HA       CYS  38   5.320  -5.506   8.217
  261   1HB   CYS  38          2HB       CYS  38   6.300  -2.757   8.384
  262   2HB   CYS  38          1HB       CYS  38   6.405  -4.060   9.563
  263    HG   CYS  38           HG       CYS  38   8.625  -3.169   7.159
  264    H    ARG  39           H        ARG  39   5.672  -2.284   6.845
  265    HA   ARG  39           HA       ARG  39   3.115  -2.395   5.524
  266   1HB   ARG  39          2HB       ARG  39   3.414  -1.110   8.148
  267   2HB   ARG  39          1HB       ARG  39   2.756  -0.042   6.916
  268   1HG   ARG  39          2HG       ARG  39   1.643  -2.730   7.692
  269   2HG   ARG  39          1HG       ARG  39   0.997  -1.160   8.172
  270   1HD   ARG  39          2HD       ARG  39   0.867  -0.702   5.634
  271   2HD   ARG  39          1HD       ARG  39   1.014  -2.452   5.469
  272    HE   ARG  39           HE       ARG  39  -1.055  -2.693   6.638
  273   1HH1  ARG  39          2HH1      ARG  39  -0.244   0.609   5.797
  274   2HH1  ARG  39          1HH1      ARG  39  -1.879   1.181   5.935
  275   1HH2  ARG  39          2HH2      ARG  39  -3.205  -1.939   6.846
  276   2HH2  ARG  39          1HH2      ARG  39  -3.553  -0.250   6.564
  277    H    LEU  40           H        LEU  40   2.824   0.424   5.225
  278    HA   LEU  40           HA       LEU  40   5.370   1.090   3.902
  279   1HB   LEU  40          2HB       LEU  40   2.698   2.072   2.936
  280   2HB   LEU  40          1HB       LEU  40   4.227   2.054   2.079
  281    HG   LEU  40           HG       LEU  40   2.729  -0.459   2.814
  282   1HD1  LEU  40          1HD1      LEU  40   2.722   0.829   0.107
  283   2HD1  LEU  40          2HD1      LEU  40   1.726  -0.500   0.702
  284   3HD1  LEU  40          3HD1      LEU  40   1.463   1.137   1.304
  285   1HD2  LEU  40          1HD2      LEU  40   4.143  -1.237   0.771
  286   2HD2  LEU  40          2HD2      LEU  40   5.139   0.166   1.151
  287   3HD2  LEU  40          3HD2      LEU  40   4.908  -1.103   2.354
  288    H    GLY  41           H        GLY  41   6.095   3.208   4.051
  289   1HA   GLY  41          1HA       GLY  41   4.899   4.718   6.259
  290   2HA   GLY  41          2HA       GLY  41   6.510   4.954   5.587
  291    H    GLU  42           H        GLU  42   3.393   4.823   3.955
  292    HA   GLU  42           HA       GLU  42   4.025   7.123   2.376
  293   1HB   GLU  42          2HB       GLU  42   1.322   6.687   2.008
  294   2HB   GLU  42          1HB       GLU  42   2.618   6.017   1.035
  295   1HG   GLU  42          2HG       GLU  42   1.364   4.164   1.522
  296   2HG   GLU  42          1HG       GLU  42   2.598   4.094   2.773
  297    H    VAL  43           H        VAL  43   3.593   9.220   2.793
  298    HA   VAL  43           HA       VAL  43   1.328   9.811   4.543
  299    HB   VAL  43           HB       VAL  43   2.890  11.635   5.628
  300   1HG1  VAL  43          1HG1      VAL  43   1.822  10.228   7.105
  301   2HG1  VAL  43          2HG1      VAL  43   2.514   8.772   6.386
  302   3HG1  VAL  43          3HG1      VAL  43   3.513   9.823   7.390
  303   1HG2  VAL  43          1HG2      VAL  43   5.039   9.789   5.898
  304   2HG2  VAL  43          2HG2      VAL  43   4.769  10.097   4.182
  305   3HG2  VAL  43          3HG2      VAL  43   5.069  11.443   5.283
  306    H    GLY  44           H        GLY  44   2.781  10.445   1.648
  307   1HA   GLY  44          1HA       GLY  44   1.024  12.226   0.802
  308   2HA   GLY  44          2HA       GLY  44   2.092  13.295   1.682
  309    H    ARG  45           H        ARG  45   3.887  10.796   0.115
  310    HA   ARG  45           HA       ARG  45   4.620  12.847  -1.853
  311   1HB   ARG  45          2HB       ARG  45   6.206  11.696  -0.040
  312   2HB   ARG  45          1HB       ARG  45   6.429  10.555  -1.354
  313   1HG   ARG  45          2HG       ARG  45   7.320  12.214  -2.776
  314   2HG   ARG  45          1HG       ARG  45   6.781  13.514  -1.710
  315   1HD   ARG  45          2HD       ARG  45   9.009  11.544  -1.278
  316   2HD   ARG  45          1HD       ARG  45   9.086  13.306  -1.308
  317    HE   ARG  45           HE       ARG  45   7.394  12.666   0.769
  318   1HH1  ARG  45          2HH1      ARG  45  10.737  11.980  -0.042
  319   2HH1  ARG  45          1HH1      ARG  45  11.255  11.910   1.621
  320   1HH2  ARG  45          2HH2      ARG  45   8.062  12.576   2.940
  321   2HH2  ARG  45          1HH2      ARG  45   9.733  12.262   3.313
  322    H    ARG  46           H        ARG  46   5.750   9.599  -2.230
  323    HA   ARG  46           HA       ARG  46   3.987   9.130  -4.510
  324   1HB   ARG  46          2HB       ARG  46   5.856   8.876  -6.060
  325   2HB   ARG  46          1HB       ARG  46   5.825  10.500  -5.389
  326   1HG   ARG  46          2HG       ARG  46   7.825  10.267  -4.414
  327   2HG   ARG  46          1HG       ARG  46   7.477   8.623  -3.877
  328   1HD   ARG  46          2HD       ARG  46   8.351   9.473  -6.630
  329   2HD   ARG  46          1HD       ARG  46   9.322   8.611  -5.439
  330    HE   ARG  46           HE       ARG  46   7.389   6.868  -5.718
  331   1HH1  ARG  46          2HH1      ARG  46   8.841   8.828  -8.219
  332   2HH1  ARG  46          1HH1      ARG  46   8.624   7.637  -9.469
  333   1HH2  ARG  46          2HH2      ARG  46   7.075   5.292  -7.347
  334   2HH2  ARG  46          1HH2      ARG  46   7.606   5.620  -8.973
  335    H    LEU  47           H        LEU  47   4.147   6.984  -5.381
  336    HA   LEU  47           HA       LEU  47   4.489   5.031  -3.344
  337   1HB   LEU  47          2HB       LEU  47   2.777   4.854  -5.085
  338   2HB   LEU  47          1HB       LEU  47   4.022   4.696  -6.309
  339    HG   LEU  47           HG       LEU  47   4.568   2.653  -4.487
  340   1HD1  LEU  47          1HD1      LEU  47   1.606   2.893  -4.985
  341   2HD1  LEU  47          2HD1      LEU  47   2.409   1.421  -4.435
  342   3HD1  LEU  47          3HD1      LEU  47   2.431   2.866  -3.425
  343   1HD2  LEU  47          1HD2      LEU  47   4.909   1.882  -6.549
  344   2HD2  LEU  47          2HD2      LEU  47   3.196   1.458  -6.539
  345   3HD2  LEU  47          3HD2      LEU  47   3.724   2.983  -7.253
  346    H    TYR  48           H        TYR  48   6.421   4.452  -2.640
  347    HA   TYR  48           HA       TYR  48   8.760   4.365  -4.318
  348   1HB   TYR  48          2HB       TYR  48   8.125   3.903  -1.446
  349   2HB   TYR  48          1HB       TYR  48   9.537   3.074  -2.085
  350    HD1  TYR  48           1HD      TYR  48   8.138   6.531  -2.564
  351    HD2  TYR  48           2HD      TYR  48  11.452   4.117  -1.427
  352    HE1  TYR  48           1HE      TYR  48   9.483   8.558  -2.201
  353    HE2  TYR  48           2HE      TYR  48  12.805   6.132  -1.065
  354    HH   TYR  48           HH       TYR  48  12.165   8.680  -0.438
  355    H    TYR  49           H        TYR  49   9.124   2.710  -5.695
  356    HA   TYR  49           HA       TYR  49   8.963   0.007  -4.778
  357   1HB   TYR  49          2HB       TYR  49   7.190  -0.851  -5.982
  358   2HB   TYR  49          1HB       TYR  49   6.557   0.726  -5.517
  359    HD1  TYR  49           1HD      TYR  49   6.628  -1.512  -8.084
  360    HD2  TYR  49           2HD      TYR  49   7.330   2.627  -7.391
  361    HE1  TYR  49           1HE      TYR  49   6.115  -1.036 -10.443
  362    HE2  TYR  49           2HE      TYR  49   6.837   3.113  -9.753
  363    HH   TYR  49           HH       TYR  49   5.270   1.705 -11.633
  364    H    LYS  50           H        LYS  50   9.620  -1.545  -6.542
  365    HA   LYS  50           HA       LYS  50  11.653  -0.245  -8.216
  366   1HB   LYS  50          2HB       LYS  50  11.527  -2.721  -6.707
  367   2HB   LYS  50          1HB       LYS  50  11.992  -3.013  -8.377
  368   1HG   LYS  50          2HG       LYS  50  13.756  -1.258  -8.100
  369   2HG   LYS  50          1HG       LYS  50  13.354  -1.218  -6.383
  370   1HD   LYS  50          2HD       LYS  50  14.456  -3.122  -5.968
  371   2HD   LYS  50          1HD       LYS  50  13.809  -3.914  -7.406
  372   1HE   LYS  50          2HE       LYS  50  15.449  -2.482  -8.731
  373   2HE   LYS  50          1HE       LYS  50  16.206  -2.115  -7.183
  374   1HZ   LYS  50          1HZ       LYS  50  16.010  -4.800  -7.108
  375   2HZ   LYS  50          2HZ       LYS  50  17.392  -3.946  -7.588
  376   3HZ   LYS  50          3HZ       LYS  50  16.309  -4.527  -8.755
  377    H    LEU  51           H        LEU  51  12.027  -1.280 -10.357
  378    HA   LEU  51           HA       LEU  51  10.218  -0.802 -12.176
  379   1HB   LEU  51          2HB       LEU  51  11.317  -2.169 -13.729
  380   2HB   LEU  51          1HB       LEU  51  12.523  -1.689 -12.555
  381    HG   LEU  51           HG       LEU  51  11.137  -4.357 -12.406
  382   1HD1  LEU  51          1HD1      LEU  51  13.192  -3.429 -14.268
  383   2HD1  LEU  51          2HD1      LEU  51  13.602  -4.905 -13.396
  384   3HD1  LEU  51          3HD1      LEU  51  12.125  -4.829 -14.357
  385   1HD2  LEU  51          1HD2      LEU  51  13.387  -3.014 -11.033
  386   2HD2  LEU  51          2HD2      LEU  51  12.215  -4.185 -10.421
  387   3HD2  LEU  51          3HD2      LEU  51  13.584  -4.729 -11.395
  388    H    GLY  52           H        GLY  52  10.234  -4.038 -10.657
  389   1HA   GLY  52          1HA       GLY  52   7.384  -4.220 -11.327
  390   2HA   GLY  52          2HA       GLY  52   8.445  -5.532 -11.823
  391    H    ARG  53           H        ARG  53   8.987  -3.801  -8.857
  392    HA   ARG  53           HA       ARG  53   7.834  -6.021  -7.320
  393   1HB   ARG  53          2HB       ARG  53  10.572  -4.898  -6.729
  394   2HB   ARG  53          1HB       ARG  53   9.800  -6.288  -5.980
  395   1HG   ARG  53          2HG       ARG  53   9.847  -6.941  -8.661
  396   2HG   ARG  53          1HG       ARG  53  11.382  -6.110  -8.400
  397   1HD   ARG  53          2HD       ARG  53  11.721  -7.611  -6.405
  398   2HD   ARG  53          1HD       ARG  53  10.320  -8.528  -6.954
  399    HE   ARG  53           HE       ARG  53  12.387  -8.167  -8.946
  400   1HH1  ARG  53          2HH1      ARG  53  11.113 -10.195  -6.383
  401   2HH1  ARG  53          1HH1      ARG  53  11.969 -11.612  -6.909
  402   1HH2  ARG  53          2HH2      ARG  53  13.490 -10.047  -9.658
  403   2HH2  ARG  53          1HH2      ARG  53  13.309 -11.533  -8.774
  404    H    LYS  54           H        LYS  54   6.740  -5.373  -5.588
  405    HA   LYS  54           HA       LYS  54   6.794  -2.537  -4.881
  406   1HB   LYS  54          2HB       LYS  54   4.902  -3.437  -3.261
  407   2HB   LYS  54          1HB       LYS  54   4.572  -3.129  -4.959
  408   1HG   LYS  54          2HG       LYS  54   3.911  -5.223  -5.220
  409   2HG   LYS  54          1HG       LYS  54   5.502  -5.802  -4.718
  410   1HD   LYS  54          2HD       LYS  54   4.246  -5.034  -2.353
  411   2HD   LYS  54          1HD       LYS  54   2.986  -5.839  -3.291
  412   1HE   LYS  54          2HE       LYS  54   3.849  -7.724  -2.432
  413   2HE   LYS  54          1HE       LYS  54   5.085  -7.517  -3.678
  414   1HZ   LYS  54          1HZ       LYS  54   5.237  -6.893  -0.796
  415   2HZ   LYS  54          2HZ       LYS  54   6.271  -6.124  -1.900
  416   3HZ   LYS  54          3HZ       LYS  54   6.297  -7.814  -1.749
  417    H    LEU  55           H        LEU  55   8.562  -2.176  -3.664
  418    HA   LEU  55           HA       LEU  55   8.737  -3.589  -1.114
  419   1HB   LEU  55          2HB       LEU  55  10.950  -4.202  -1.344
  420   2HB   LEU  55          1HB       LEU  55  10.312  -4.510  -2.943
  421    HG   LEU  55           HG       LEU  55  11.969  -2.116  -2.135
  422   1HD1  LEU  55          1HD1      LEU  55  12.645  -4.481  -3.878
  423   2HD1  LEU  55          2HD1      LEU  55  13.696  -3.112  -3.517
  424   3HD1  LEU  55          3HD1      LEU  55  13.223  -4.225  -2.232
  425   1HD2  LEU  55          1HD2      LEU  55  11.976  -2.267  -4.876
  426   2HD2  LEU  55          2HD2      LEU  55  10.306  -2.657  -4.468
  427   3HD2  LEU  55          3HD2      LEU  55  11.018  -1.144  -3.911
  428    H    CYS  56           H        CYS  56  10.516  -2.454   0.280
  429    HA   CYS  56           HA       CYS  56   9.807   0.356   0.288
  430   1HB   CYS  56          2HB       CYS  56  10.839   0.452   2.473
  431   2HB   CYS  56          1HB       CYS  56   9.773  -0.938   2.407
  432    H    ARG  57           H        ARG  57  11.890   1.588   1.302
  433    HA   ARG  57           HA       ARG  57  13.889   1.434  -0.845
  434   1HB   ARG  57          2HB       ARG  57  12.712   3.618   0.292
  435   2HB   ARG  57          1HB       ARG  57  14.199   3.513   1.226
  436   1HG   ARG  57          2HG       ARG  57  14.346   3.360  -1.747
  437   2HG   ARG  57          1HG       ARG  57  14.089   4.926  -0.972
  438   1HD   ARG  57          2HD       ARG  57  16.129   3.747   0.498
  439   2HD   ARG  57          1HD       ARG  57  16.495   3.325  -1.172
  440    HE   ARG  57           HE       ARG  57  15.939   6.129  -0.496
  441   1HH1  ARG  57          2HH1      ARG  57  18.163   3.658  -1.577
  442   2HH1  ARG  57          1HH1      ARG  57  19.395   4.779  -2.053
  443   1HH2  ARG  57          2HH2      ARG  57  17.576   7.622  -1.068
  444   2HH2  ARG  57          1HH2      ARG  57  19.075   7.039  -1.741
  445    H    ARG  58           H        ARG  58  13.333   0.434   2.308
  446    HA   ARG  58           HA       ARG  58  16.027   0.531   3.231
  447   1HB   ARG  58          2HB       ARG  58  13.494  -0.671   4.317
  448   2HB   ARG  58          1HB       ARG  58  15.044  -0.830   5.139
  449   1HG   ARG  58          2HG       ARG  58  14.245   1.031   6.177
  450   2HG   ARG  58          1HG       ARG  58  15.090   1.766   4.813
  451   1HD   ARG  58          2HD       ARG  58  12.934   1.719   3.564
  452   2HD   ARG  58          1HD       ARG  58  12.144   1.276   5.082
  453    HE   ARG  58           HE       ARG  58  13.642   3.795   4.670
  454   1HH1  ARG  58          2HH1      ARG  58  11.056   1.972   6.173
  455   2HH1  ARG  58          1HH1      ARG  58  10.350   3.369   6.932
  456   1HH2  ARG  58          2HH2      ARG  58  12.762   5.605   5.685
  457   2HH2  ARG  58          1HH2      ARG  58  11.333   5.441   6.669
  458    H    ASP  59           H        ASP  59  13.806  -2.104   2.335
  459    HA   ASP  59           HA       ASP  59  16.010  -3.980   2.448
  460   1HB   ASP  59          2HB       ASP  59  14.430  -5.722   1.946
  461   2HB   ASP  59          1HB       ASP  59  13.769  -4.691   3.200
  462    H    TYR  60           H        TYR  60  14.828  -1.808   0.260
  463    HA   TYR  60           HA       TYR  60  15.697  -3.131  -2.153
  464   1HB   TYR  60          2HB       TYR  60  14.365  -1.448  -2.884
  465   2HB   TYR  60          1HB       TYR  60  14.581  -0.511  -1.415
  466    HD1  TYR  60           1HD      TYR  60  16.484   1.076  -1.226
  467    HD2  TYR  60           2HD      TYR  60  15.666  -1.007  -4.850
  468    HE1  TYR  60           1HE      TYR  60  17.858   2.692  -2.461
  469    HE2  TYR  60           2HE      TYR  60  17.057   0.602  -6.091
  470    HH   TYR  60           HH       TYR  60  19.051   2.932  -4.482
  471    H    LEU  61           H        LEU  61  16.984  -1.116   0.385
  472    HA   LEU  61           HA       LEU  61  19.555  -0.726  -0.852
  473   1HB   LEU  61          2HB       LEU  61  18.134   0.348   1.323
  474   2HB   LEU  61          1HB       LEU  61  19.541  -0.432   2.017
  475    HG   LEU  61           HG       LEU  61  20.862   1.258   1.416
  476   1HD1  LEU  61          1HD1      LEU  61  21.405   0.667  -0.715
  477   2HD1  LEU  61          2HD1      LEU  61  19.732   0.714  -1.278
  478   3HD1  LEU  61          3HD1      LEU  61  20.619   2.218  -1.021
  479   1HD2  LEU  61          1HD2      LEU  61  19.486   3.276   0.333
  480   2HD2  LEU  61          2HD2      LEU  61  18.147   2.312   0.955
  481   3HD2  LEU  61          3HD2      LEU  61  19.416   2.866   2.047
  482    H    ARG  62           H        ARG  62  18.670  -2.292   2.200
  483    HA   ARG  62           HA       ARG  62  20.073  -4.722   1.546
  484   1HB   ARG  62          2HB       ARG  62  21.322  -2.596   3.070
  485   2HB   ARG  62          1HB       ARG  62  21.186  -4.074   4.006
  486   1HG   ARG  62          2HG       ARG  62  22.085  -4.763   1.405
  487   2HG   ARG  62          1HG       ARG  62  23.066  -3.420   1.996
  488   1HD   ARG  62          2HD       ARG  62  22.502  -5.656   3.853
  489   2HD   ARG  62          1HD       ARG  62  23.653  -5.942   2.548
  490    HE   ARG  62           HE       ARG  62  24.737  -3.781   3.455
  491   1HH1  ARG  62          2HH1      ARG  62  23.236  -6.315   5.360
  492   2HH1  ARG  62          1HH1      ARG  62  24.119  -5.923   6.815
  493   1HH2  ARG  62          2HH2      ARG  62  25.937  -3.291   5.362
  494   2HH2  ARG  62          1HH2      ARG  62  25.654  -4.217   6.806
  495    H    LEU  63           H        LEU  63  19.454  -3.184   4.675
  496    HA   LEU  63           HA       LEU  63  17.056  -4.856   4.948
  497   1HB   LEU  63          2HB       LEU  63  17.779  -4.565   7.557
  498   2HB   LEU  63          1HB       LEU  63  18.042  -6.007   6.598
  499    HG   LEU  63           HG       LEU  63  20.202  -4.030   6.397
  500   1HD1  LEU  63          1HD1      LEU  63  19.160  -4.777   8.993
  501   2HD1  LEU  63          2HD1      LEU  63  20.832  -5.296   8.777
  502   3HD1  LEU  63          3HD1      LEU  63  20.401  -3.597   8.574
  503   1HD2  LEU  63          1HD2      LEU  63  19.877  -6.982   6.713
  504   2HD2  LEU  63          2HD2      LEU  63  20.679  -6.074   5.433
  505   3HD2  LEU  63          3HD2      LEU  63  21.441  -6.227   7.017
  506    H    GLY  64           H        GLY  64  18.845  -1.969   5.761
  507   1HA   GLY  64          1HA       GLY  64  16.295  -0.550   5.972
  508   2HA   GLY  64          2HA       GLY  64  17.487  -0.339   7.248
  509    H    GLY  65           H        GLY  65  19.796   0.045   6.198
  510   1HA   GLY  65          1HA       GLY  65  19.561   1.930   3.965
  511   2HA   GLY  65          2HA       GLY  65  20.153   2.555   5.499
  512    H    SER  66           H        SER  66  20.807  -0.565   3.986
  513    HA   SER  66           HA       SER  66  22.788  -1.733   4.008
  514   1HB   SER  66          2HB       SER  66  23.595   0.520   2.172
  515   2HB   SER  66          1HB       SER  66  24.103  -1.168   2.098
  516    HG   SER  66           HG       SER  66  22.503  -0.923   0.598
  517    H    GLY  67           H        GLY  67  22.866  -0.151   6.303
  518   1HA   GLY  67          1HA       GLY  67  25.702   0.675   6.361
  519   2HA   GLY  67          2HA       GLY  67  24.454   1.410   7.361
  520    H    GLY  68           H        GLY  68  23.273  -0.162   8.818
  521   1HA   GLY  68          1HA       GLY  68  23.291  -2.156  10.103
  522   2HA   GLY  68          2HA       GLY  68  24.976  -2.393   9.661
  523    H    HIS  69           H        HIS  69  24.869   0.751  10.373
  524    HA   HIS  69           HA       HIS  69  25.777   0.281  13.115
  525   1HB   HIS  69          2HB       HIS  69  25.991   3.012  12.019
  526   2HB   HIS  69          1HB       HIS  69  27.176   2.056  12.895
  527    HD2  HIS  69           2HD      HIS  69  28.397   0.004  11.144
  528    HE1  HIS  69           1HE      HIS  69  27.977   2.577   7.808
  529    HE2  HIS  69           2HE      HIS  69  28.958   0.388   8.639
  530    H    MET  70           H        MET  70  25.167   1.813  14.792
  531    HA   MET  70           HA       MET  70  22.358   2.173  14.950
  532   1HB   MET  70          2HB       MET  70  24.690   2.991  16.650
  533   2HB   MET  70          1HB       MET  70  23.086   3.619  17.004
  534   1HG   MET  70          2HG       MET  70  22.811   0.845  16.655
  535   2HG   MET  70          1HG       MET  70  24.229   1.095  17.669
  536   1HE   MET  70          1HE       MET  70  20.060   2.729  18.386
  537   2HE   MET  70          2HE       MET  70  20.764   2.103  16.895
  538   3HE   MET  70          3HE       MET  70  20.108   0.989  18.095
  539    H    GLY  71           H        GLY  71  25.040   4.500  14.691
  540   1HA   GLY  71          1HA       GLY  71  23.174   6.674  14.200
  541   2HA   GLY  71          2HA       GLY  71  24.925   6.802  14.314
  542    H    SER  72           H        SER  72  22.244   6.558  12.248
  543    HA   SER  72           HA       SER  72  23.796   5.796   9.921
  544   1HB   SER  72          2HB       SER  72  21.034   6.734   9.534
  545   2HB   SER  72          1HB       SER  72  21.802   5.234   9.011
  546    HG   SER  72           HG       SER  72  20.756   4.331  10.592
  547    H    GLY  73           H        GLY  73  22.520   7.330   7.941
  548   1HA   GLY  73          1HA       GLY  73  24.046   9.765   8.216
  549   2HA   GLY  73          2HA       GLY  73  23.180   9.228   6.785
  550    H    GLY  74           H        GLY  74  20.951   9.692   6.588
  551   1HA   GLY  74          1HA       GLY  74  18.983  10.829   7.034
  552   2HA   GLY  74          2HA       GLY  74  19.640  11.290   8.598
  553    H    ASP  75           H        ASP  75  19.109  13.448   8.514
  554    HA   ASP  75           HA       ASP  75  20.119  14.998   6.273
  555   1HB   ASP  75          2HB       ASP  75  18.711  16.810   7.292
  556   2HB   ASP  75          1HB       ASP  75  17.820  15.435   6.682
  557    H    VAL  76           H        VAL  76  22.235  15.255   6.681
  558    HA   VAL  76           HA       VAL  76  22.954  16.734   9.123
  559    HB   VAL  76           HB       VAL  76  25.242  15.346   8.171
  560   1HG1  VAL  76          1HG1      VAL  76  25.415  14.589  10.392
  561   2HG1  VAL  76          2HG1      VAL  76  24.630  16.165  10.488
  562   3HG1  VAL  76          3HG1      VAL  76  23.672  14.693  10.648
  563   1HG2  VAL  76          1HG2      VAL  76  22.802  13.783   7.927
  564   2HG2  VAL  76          2HG2      VAL  76  24.427  13.449   7.331
  565   3HG2  VAL  76          3HG2      VAL  76  23.995  13.035   8.990
  566    H    MET  77           H        MET  77  25.259  17.721   8.766
  567    HA   MET  77           HA       MET  77  25.084  19.655   6.801
  568   1HB   MET  77          2HB       MET  77  27.461  18.621   8.326
  569   2HB   MET  77          1HB       MET  77  27.555  20.000   7.237
  570   1HG   MET  77          2HG       MET  77  25.575  20.902   8.636
  571   2HG   MET  77          1HG       MET  77  26.120  19.732   9.828
  572   1HE   MET  77          1HE       MET  77  27.512  20.321  11.606
  573   2HE   MET  77          2HE       MET  77  28.347  21.863  11.802
  574   3HE   MET  77          3HE       MET  77  26.592  21.827  11.624
  575    H    VAL  78           H        VAL  78  25.726  19.861   4.742
  576    HA   VAL  78           HA       VAL  78  27.573  17.998   3.527
  577    HB   VAL  78           HB       VAL  78  25.423  16.773   3.410
  578   1HG1  VAL  78          1HG1      VAL  78  24.344  18.711   1.431
  579   2HG1  VAL  78          2HG1      VAL  78  23.499  17.573   2.484
  580   3HG1  VAL  78          3HG1      VAL  78  24.157  19.069   3.148
  581   1HG2  VAL  78          1HG2      VAL  78  26.922  16.204   1.706
  582   2HG2  VAL  78          2HG2      VAL  78  25.400  16.515   0.871
  583   3HG2  VAL  78          3HG2      VAL  78  26.676  17.732   0.858
  584    H    VAL  79           H        VAL  79  28.455  18.792   1.611
  585    HA   VAL  79           HA       VAL  79  28.576  21.568   1.348
  586    HB   VAL  79           HB       VAL  79  29.350  19.422  -0.635
  587   1HG1  VAL  79          1HG1      VAL  79  30.952  21.406  -1.339
  588   2HG1  VAL  79          2HG1      VAL  79  29.353  21.204  -2.052
  589   3HG1  VAL  79          3HG1      VAL  79  29.600  22.376  -0.758
  590   1HG2  VAL  79          1HG2      VAL  79  31.651  19.966   0.196
  591   2HG2  VAL  79          2HG2      VAL  79  30.892  20.927   1.464
  592   3HG2  VAL  79          3HG2      VAL  79  30.596  19.191   1.377
  593    H    GLY  80           H        GLY  80  26.744  19.193  -0.543
  594   1HA   GLY  80          1HA       GLY  80  24.844  21.256  -1.248
  595   2HA   GLY  80          2HA       GLY  80  25.732  20.596  -2.617
  596    H    GLU  81           H        GLU  81  25.208  18.633  -3.416
  597    HA   GLU  81           HA       GLU  81  22.701  17.470  -2.736
  598   1HB   GLU  81          2HB       GLU  81  24.696  17.192  -4.777
  599   2HB   GLU  81          1HB       GLU  81  24.304  15.598  -4.144
  600   1HG   GLU  81          2HG       GLU  81  21.944  17.203  -4.612
  601   2HG   GLU  81          1HG       GLU  81  22.917  17.001  -6.068
  602    HA   PRO  82           HA       PRO  82  24.263  15.204   0.752
  603   1HB   PRO  82          2HB       PRO  82  21.743  13.754   0.740
  604   2HB   PRO  82          1HB       PRO  82  22.378  14.871   1.945
  605   1HG   PRO  82          2HG       PRO  82  20.270  15.475   0.338
  606   2HG   PRO  82          1HG       PRO  82  21.382  16.694   0.982
  607   1HD   PRO  82          2HD       PRO  82  21.243  15.500  -1.750
  608   2HD   PRO  82          1HD       PRO  82  21.646  17.159  -1.261
  609    H    THR  83           H        THR  83  25.138  13.258   1.126
  610    HA   THR  83           HA       THR  83  24.454  10.877  -0.229
  611    HB   THR  83           HB       THR  83  26.299  12.639  -1.582
  612    HG1  THR  83           1HG      THR  83  25.221  11.614  -3.064
  613   1HG2  THR  83          1HG2      THR  83  28.021  11.436  -0.297
  614   2HG2  THR  83          2HG2      THR  83  28.124  11.125  -2.033
  615   3HG2  THR  83          3HG2      THR  83  27.423   9.913  -0.959
  616    H    LEU  84           H        LEU  84  24.841   9.403   1.244
  617    HA   LEU  84           HA       LEU  84  27.087   9.834   3.104
  618   1HB   LEU  84          2HB       LEU  84  24.437   8.516   3.699
  619   2HB   LEU  84          1HB       LEU  84  25.742   8.791   4.841
  620    HG   LEU  84           HG       LEU  84  24.860  11.244   3.532
  621   1HD1  LEU  84          1HD1      LEU  84  22.899   9.834   5.323
  622   2HD1  LEU  84          2HD1      LEU  84  22.723  11.434   4.603
  623   3HD1  LEU  84          3HD1      LEU  84  22.726  10.000   3.576
  624   1HD2  LEU  84          1HD2      LEU  84  26.097  10.454   5.896
  625   2HD2  LEU  84          2HD2      LEU  84  25.630  12.090   5.437
  626   3HD2  LEU  84          3HD2      LEU  84  24.532  11.096   6.393
  627    H    MET  85           H        MET  85  28.213   8.014   3.839
  628    HA   MET  85           HA       MET  85  27.923   5.678   2.066
  629   1HB   MET  85          2HB       MET  85  30.067   7.265   2.175
  630   2HB   MET  85          1HB       MET  85  30.476   6.194   3.508
  631   1HG   MET  85          2HG       MET  85  29.780   4.394   1.622
  632   2HG   MET  85          1HG       MET  85  30.428   5.691   0.616
  633   1HE   MET  85          1HE       MET  85  32.741   2.417   2.042
  634   2HE   MET  85          2HE       MET  85  31.043   2.617   1.611
  635   3HE   MET  85          3HE       MET  85  32.300   2.938   0.413
  636    H    GLY  86           H        GLY  86  27.218   6.623   5.082
  637   1HA   GLY  86          1HA       GLY  86  28.182   4.271   6.490
  638   2HA   GLY  86          2HA       GLY  86  27.246   5.592   7.177
  639    H    GLY  87           H        GLY  87  25.065   5.445   7.289
  640   1HA   GLY  87          1HA       GLY  87  23.773   3.149   5.976
  641   2HA   GLY  87          2HA       GLY  87  23.546   3.409   7.702
  642    H    GLU  88           H        GLU  88  21.280   3.344   6.683
  643    HA   GLU  88           HA       GLU  88  19.550   4.501   5.483
  644   1HB   GLU  88          2HB       GLU  88  19.881   5.431   8.322
  645   2HB   GLU  88          1HB       GLU  88  18.392   5.531   7.390
  646   1HG   GLU  88          2HG       GLU  88  18.036   3.577   8.473
  647   2HG   GLU  88          1HG       GLU  88  18.820   2.971   7.030
  648    H    PHE  89           H        PHE  89  20.628   5.761   3.924
  649    HA   PHE  89           HA       PHE  89  21.677   8.316   4.474
  650   1HB   PHE  89          2HB       PHE  89  20.776   7.566   1.728
  651   2HB   PHE  89          1HB       PHE  89  22.240   8.403   2.237
  652    HD1  PHE  89           1HD      PHE  89  23.865   6.925   3.722
  653    HD2  PHE  89           2HD      PHE  89  20.963   5.393   1.012
  654    HE1  PHE  89           1HE      PHE  89  25.108   4.805   3.597
  655    HE2  PHE  89           2HE      PHE  89  22.207   3.273   0.876
  656    HZ   PHE  89           HZ       PHE  89  24.281   2.978   2.170
  657    H    GLY  90           H        GLY  90  19.162   7.854   2.064
  658   1HA   GLY  90          1HA       GLY  90  17.376   9.701   3.412
  659   2HA   GLY  90          2HA       GLY  90  18.093  10.290   1.916
  660    H    ASP  91           H        ASP  91  15.750   8.237   3.339
  661    HA   ASP  91           HA       ASP  91  14.873   7.367   0.675
  662   1HB   ASP  91          2HB       ASP  91  13.856   5.404   2.028
  663   2HB   ASP  91          1HB       ASP  91  15.566   5.374   1.639
  664    H    GLU  92           H        GLU  92  13.352   6.949   3.758
  665    HA   GLU  92           HA       GLU  92  11.332   7.540   4.573
  666   1HB   GLU  92          2HB       GLU  92  11.310   9.577   2.353
  667   2HB   GLU  92          1HB       GLU  92   9.939   9.283   3.417
  668   1HG   GLU  92          2HG       GLU  92  10.812  10.851   4.727
  669   2HG   GLU  92          1HG       GLU  92  12.001   9.631   5.185
  670    H    ASP  93           H        ASP  93  10.205   5.903   4.358
  671    HA   ASP  93           HA       ASP  93   9.816   4.443   1.978
  672   1HB   ASP  93          2HB       ASP  93   9.919   3.496   4.314
  673   2HB   ASP  93          1HB       ASP  93   8.256   4.046   4.526
  674    H    GLU  94           H        GLU  94   8.787   6.998   1.589
  675    HA   GLU  94           HA       GLU  94   6.030   7.257   1.988
  676   1HB   GLU  94          2HB       GLU  94   8.073   8.541   0.272
  677   2HB   GLU  94          1HB       GLU  94   6.389   8.775  -0.183
  678   1HG   GLU  94          2HG       GLU  94   7.144   9.191   2.656
  679   2HG   GLU  94          1HG       GLU  94   7.617  10.411   1.473
  680    H    ARG  95           H        ARG  95   4.277   7.112   0.517
  681    HA   ARG  95           HA       ARG  95   4.522   5.810  -2.003
  682   1HB   ARG  95          2HB       ARG  95   4.561   4.145   0.197
  683   2HB   ARG  95          1HB       ARG  95   2.864   4.171  -0.249
  684   1HG   ARG  95          2HG       ARG  95   3.283   3.245  -2.350
  685   2HG   ARG  95          1HG       ARG  95   4.992   3.670  -2.290
  686   1HD   ARG  95          2HD       ARG  95   4.099   1.862  -0.159
  687   2HD   ARG  95          1HD       ARG  95   3.976   1.198  -1.788
  688    HE   ARG  95           HE       ARG  95   6.314   1.348  -2.012
  689   1HH1  ARG  95          2HH1      ARG  95   5.244   2.492   1.114
  690   2HH1  ARG  95          1HH1      ARG  95   6.788   2.267   1.876
  691   1HH2  ARG  95          2HH2      ARG  95   8.361   1.062  -1.002
  692   2HH2  ARG  95          1HH2      ARG  95   8.551   1.486   0.683
  693    H    LEU  96           H        LEU  96   1.965   4.827  -2.255
  694    HA   LEU  96           HA       LEU  96   0.108   6.717  -1.101
  695   1HB   LEU  96          2HB       LEU  96  -0.905   6.557  -3.652
  696   2HB   LEU  96          1HB       LEU  96  -0.118   7.953  -2.945
  697    HG   LEU  96           HG       LEU  96   1.893   6.230  -3.994
  698   1HD1  LEU  96          1HD1      LEU  96   0.404   5.236  -5.506
  699   2HD1  LEU  96          2HD1      LEU  96  -0.447   6.752  -5.802
  700   3HD1  LEU  96          3HD1      LEU  96   1.187   6.521  -6.425
  701   1HD2  LEU  96          1HD2      LEU  96   1.093   8.758  -5.321
  702   2HD2  LEU  96          2HD2      LEU  96   1.567   8.830  -3.622
  703   3HD2  LEU  96          3HD2      LEU  96   2.690   8.191  -4.825
  704    H    ILE  97           H        ILE  97  -2.083   5.938  -1.221
  705    HA   ILE  97           HA       ILE  97  -2.673   3.463  -2.484
  706    HB   ILE  97           HB       ILE  97  -3.544   2.727   0.020
  707   1HG1  ILE  97          2HG1      ILE  97  -0.619   3.440   0.233
  708   2HG1  ILE  97          1HG1      ILE  97  -1.912   4.378   0.972
  709   1HG2  ILE  97          1HG2      ILE  97  -1.788   0.926  -0.239
  710   2HG2  ILE  97          2HG2      ILE  97  -2.903   1.142  -1.593
  711   3HG2  ILE  97          3HG2      ILE  97  -1.262   1.786  -1.686
  712   1HD1  ILE  97          1HD1      ILE  97  -0.753   1.790   1.766
  713   2HD1  ILE  97          2HD1      ILE  97  -1.410   3.096   2.753
  714   3HD1  ILE  97          3HD1      ILE  97  -2.498   1.958   1.959
  715    H    THR  98           H        THR  98  -4.705   3.564  -3.066
  716    HA   THR  98           HA       THR  98  -6.414   5.606  -1.965
  717    HB   THR  98           HB       THR  98  -7.842   4.085  -3.858
  718    HG1  THR  98           1HG      THR  98  -5.122   4.574  -4.617
  719   1HG2  THR  98          1HG2      THR  98  -6.306   6.660  -4.054
  720   2HG2  THR  98          2HG2      THR  98  -7.993   6.474  -3.566
  721   3HG2  THR  98          3HG2      THR  98  -7.506   6.121  -5.229
  722    H    ARG  99           H        ARG  99  -7.559   5.185  -0.221
  723    HA   ARG  99           HA       ARG  99  -8.313   2.505   0.550
  724   1HB   ARG  99          2HB       ARG  99  -8.778   5.250   1.687
  725   2HB   ARG  99          1HB       ARG  99  -9.630   3.855   2.332
  726   1HG   ARG  99          2HG       ARG  99  -6.637   4.123   2.187
  727   2HG   ARG  99          1HG       ARG  99  -7.615   4.461   3.616
  728   1HD   ARG  99          2HD       ARG  99  -7.786   1.811   2.239
  729   2HD   ARG  99          1HD       ARG  99  -6.474   2.152   3.365
  730    HE   ARG  99           HE       ARG  99  -9.231   2.554   4.267
  731   1HH1  ARG  99          2HH1      ARG  99  -6.169   0.888   4.533
  732   2HH1  ARG  99          1HH1      ARG  99  -6.678  -0.105   5.868
  733   1HH2  ARG  99          2HH2      ARG  99  -9.916   1.259   6.018
  734   2HH2  ARG  99          1HH2      ARG  99  -8.816   0.100   6.690
  735    H    LEU 100           H        LEU 100  -9.761   1.659  -0.900
  736    HA   LEU 100           HA       LEU 100 -12.148   3.283  -1.452
  737   1HB   LEU 100          2HB       LEU 100 -10.460   2.196  -3.260
  738   2HB   LEU 100          1HB       LEU 100 -11.658   0.923  -3.133
  739    HG   LEU 100           HG       LEU 100 -13.315   2.987  -3.451
  740   1HD1  LEU 100          1HD1      LEU 100 -12.386   4.884  -4.129
  741   2HD1  LEU 100          2HD1      LEU 100 -10.794   4.169  -3.872
  742   3HD1  LEU 100          3HD1      LEU 100 -11.570   4.046  -5.451
  743   1HD2  LEU 100          1HD2      LEU 100 -13.790   1.726  -5.213
  744   2HD2  LEU 100          2HD2      LEU 100 -12.412   2.418  -6.071
  745   3HD2  LEU 100          3HD2      LEU 100 -12.207   0.955  -5.107
  746    H    GLU 101           H        GLU 101 -14.059   1.964  -2.006
  747    HA   GLU 101           HA       GLU 101 -14.402  -0.163   0.002
  748   1HB   GLU 101          2HB       GLU 101 -16.937   0.770  -0.810
  749   2HB   GLU 101          1HB       GLU 101 -16.153   1.025   0.744
  750   1HG   GLU 101          2HG       GLU 101 -15.012   2.885  -1.005
  751   2HG   GLU 101          1HG       GLU 101 -16.742   2.912  -1.335
  752    H    ASN 102           H        ASN 102 -15.221  -2.115  -0.653
  753    HA   ASN 102           HA       ASN 102 -15.090  -2.710  -3.444
  754   1HB   ASN 102          2HB       ASN 102 -14.421  -4.421  -1.918
  755   2HB   ASN 102          1HB       ASN 102 -15.950  -4.330  -1.044
  756   1HD2  ASN 102          1HD2      ASN 102 -16.562  -6.403  -1.285
  757   2HD2  ASN 102          2HD2      ASN 102 -16.940  -7.139  -2.816
  758    H    THR 103           H        THR 103 -17.748  -2.792  -1.092
  759    HA   THR 103           HA       THR 103 -19.581  -2.123  -3.291
  760    HB   THR 103           HB       THR 103 -20.730  -3.572  -0.968
  761    HG1  THR 103           1HG      THR 103 -18.892  -4.846  -1.392
  762   1HG2  THR 103          1HG2      THR 103 -21.585  -2.759  -3.472
  763   2HG2  THR 103          2HG2      THR 103 -22.431  -3.848  -2.373
  764   3HG2  THR 103          3HG2      THR 103 -21.378  -4.502  -3.629
  765    H    GLN 104           H        GLN 104 -20.306  -2.480   0.124
  766    HA   GLN 104           HA       GLN 104 -20.375   0.436   0.425
  767   1HB   GLN 104          2HB       GLN 104 -22.265  -0.584   2.222
  768   2HB   GLN 104          1HB       GLN 104 -22.589   0.346   0.765
  769   1HG   GLN 104          2HG       GLN 104 -23.842  -1.435   0.236
  770   2HG   GLN 104          1HG       GLN 104 -22.307  -2.098  -0.305
  771   1HE2  GLN 104          1HE2      GLN 104 -24.853  -2.294   1.988
  772   2HE2  GLN 104          2HE2      GLN 104 -24.277  -3.711   2.828
  773    H    PHE 105           H        PHE 105 -20.739  -2.517   2.384
  774    HA   PHE 105           HA       PHE 105 -18.275  -2.044   3.752
  775   1HB   PHE 105          2HB       PHE 105 -20.215  -0.620   4.870
  776   2HB   PHE 105          1HB       PHE 105 -20.644  -2.167   5.583
  777    HD1  PHE 105           1HD      PHE 105 -17.140  -1.971   5.037
  778    HD2  PHE 105           2HD      PHE 105 -20.241  -0.731   7.682
  779    HE1  PHE 105           1HE      PHE 105 -15.480  -1.614   6.813
  780    HE2  PHE 105           2HE      PHE 105 -18.583  -0.375   9.461
  781    HZ   PHE 105           HZ       PHE 105 -16.200  -0.816   9.028
  782    H    ASP 106           H        ASP 106 -20.229  -3.588   5.861
  783    HA   ASP 106           HA       ASP 106 -20.545  -6.109   4.540
  784   1HB   ASP 106          2HB       ASP 106 -18.088  -5.973   5.456
  785   2HB   ASP 106          1HB       ASP 106 -18.848  -6.230   7.017
  786    H    ALA 107           H        ALA 107 -19.973  -5.447   7.954
  787    HA   ALA 107           HA       ALA 107 -22.877  -5.516   8.380
  788   1HB   ALA 107          1HB       ALA 107 -21.512  -7.548   9.253
  789   2HB   ALA 107          2HB       ALA 107 -21.038  -6.435  10.538
  790   3HB   ALA 107          3HB       ALA 107 -22.742  -6.809  10.280
  791    H    ALA 108           H        ALA 108 -20.152  -4.853  10.543
  792    HA   ALA 108           HA       ALA 108 -20.468  -2.022  10.401
  793   1HB   ALA 108          1HB       ALA 108 -22.469  -2.311  11.637
  794   2HB   ALA 108          2HB       ALA 108 -21.687  -3.409  12.775
  795   3HB   ALA 108          3HB       ALA 108 -21.256  -1.698  12.762
  796    H    ASN 109           H        ASN 109 -18.895  -4.815  11.623
  797    HA   ASN 109           HA       ASN 109 -17.263  -3.383  13.519
  798   1HB   ASN 109          2HB       ASN 109 -18.006  -5.900  13.538
  799   2HB   ASN 109          1HB       ASN 109 -16.552  -6.125  12.565
  800   1HD2  ASN 109          1HD2      ASN 109 -15.280  -7.162  13.995
  801   2HD2  ASN 109          2HD2      ASN 109 -14.775  -6.491  15.518
  802    H    GLY 110           H        GLY 110 -16.938  -4.386  10.180
  803   1HA   GLY 110          1HA       GLY 110 -15.433  -3.105   8.795
  804   2HA   GLY 110          2HA       GLY 110 -14.339  -2.989  10.164
  805    H    ILE 111           H        ILE 111 -12.552  -4.113   9.866
  806    HA   ILE 111           HA       ILE 111 -12.152  -5.932   7.811
  807    HB   ILE 111           HB       ILE 111 -10.535  -5.854  10.353
  808   1HG1  ILE 111          2HG1      ILE 111  -9.794  -4.290   7.913
  809   2HG1  ILE 111          1HG1      ILE 111 -11.014  -3.629   8.998
  810   1HG2  ILE 111          1HG2      ILE 111 -10.029  -6.871   7.581
  811   2HG2  ILE 111          2HG2      ILE 111  -8.696  -6.400   8.634
  812   3HG2  ILE 111          3HG2      ILE 111  -9.796  -7.689   9.124
  813   1HD1  ILE 111          1HD1      ILE 111  -9.334  -2.764  10.148
  814   2HD1  ILE 111          2HD1      ILE 111  -8.972  -4.403  10.688
  815   3HD1  ILE 111          3HD1      ILE 111  -8.141  -3.733   9.283
  816    H    ASP 112           H        ASP 112 -12.374  -6.666  11.262
  817    HA   ASP 112           HA       ASP 112 -13.023  -9.450  10.604
  818   1HB   ASP 112          2HB       ASP 112 -11.318  -9.036  12.382
  819   2HB   ASP 112          1HB       ASP 112 -12.562  -8.234  13.340
  820    H    ASP 113           H        ASP 113 -15.007  -8.385   9.652
  821    HA   ASP 113           HA       ASP 113 -16.933  -7.346  11.490
  822   1HB   ASP 113          2HB       ASP 113 -16.593  -7.159   8.767
  823   2HB   ASP 113          1HB       ASP 113 -17.983  -8.234   8.904
  824    H    GLU 114           H        GLU 114 -19.168  -8.237  11.557
  825    HA   GLU 114           HA       GLU 114 -19.007 -11.130  12.022
  826   1HB   GLU 114          2HB       GLU 114 -19.910  -8.939  13.603
  827   2HB   GLU 114          1HB       GLU 114 -21.295  -9.952  13.237
  828   1HG   GLU 114          2HG       GLU 114 -20.239 -11.862  14.216
  829   2HG   GLU 114          1HG       GLU 114 -18.721 -10.982  14.397
  Start of MODEL   12
    1   1H    GLY   1          1H        GLY   1 -21.908  -7.280 -11.955
    2   2H    GLY   1          2H        GLY   1 -22.312  -6.243 -10.677
    3   3H    GLY   1          3H        GLY   1 -21.513  -7.702 -10.361
    4   1HA   GLY   1          2HA       GLY   1 -20.124  -6.001 -12.221
    5   2HA   GLY   1          1HA       GLY   1 -20.314  -5.301 -10.618
    6    H    SER   2           H        SER   2 -17.909  -6.278 -12.024
    7    HA   SER   2           HA       SER   2 -17.170  -8.633 -10.482
    8   1HB   SER   2          2HB       SER   2 -14.925  -7.911 -11.867
    9   2HB   SER   2          1HB       SER   2 -16.177  -8.989 -12.487
   10    HG   SER   2           HG       SER   2 -15.914  -6.187 -12.916
   11    H    LEU   3           H        LEU   3 -15.996  -8.571  -8.657
   12    HA   LEU   3           HA       LEU   3 -15.173  -6.017  -7.597
   13   1HB   LEU   3          2HB       LEU   3 -14.777  -8.804  -6.507
   14   2HB   LEU   3          1HB       LEU   3 -14.426  -7.319  -5.646
   15    HG   LEU   3           HG       LEU   3 -17.199  -7.845  -6.658
   16   1HD1  LEU   3          1HD1      LEU   3 -15.883  -9.012  -4.229
   17   2HD1  LEU   3          2HD1      LEU   3 -17.622  -8.733  -4.304
   18   3HD1  LEU   3          3HD1      LEU   3 -16.853  -9.820  -5.459
   19   1HD2  LEU   3          1HD2      LEU   3 -16.384  -5.615  -5.724
   20   2HD2  LEU   3          2HD2      LEU   3 -17.851  -6.295  -5.023
   21   3HD2  LEU   3          3HD2      LEU   3 -16.318  -6.428  -4.162
   22    H    LEU   4           H        LEU   4 -12.923  -6.043  -6.484
   23    HA   LEU   4           HA       LEU   4 -11.021  -6.237  -8.629
   24   1HB   LEU   4          2HB       LEU   4 -10.331  -5.509  -5.807
   25   2HB   LEU   4          1HB       LEU   4  -9.607  -4.939  -7.303
   26    HG   LEU   4           HG       LEU   4 -12.357  -4.154  -7.256
   27   1HD1  LEU   4          1HD1      LEU   4 -11.044  -4.114  -4.672
   28   2HD1  LEU   4          2HD1      LEU   4 -11.531  -2.505  -5.199
   29   3HD1  LEU   4          3HD1      LEU   4 -12.726  -3.796  -5.089
   30   1HD2  LEU   4          1HD2      LEU   4 -11.430  -2.371  -8.208
   31   2HD2  LEU   4          2HD2      LEU   4 -10.407  -2.067  -6.804
   32   3HD2  LEU   4          3HD2      LEU   4  -9.879  -3.198  -8.051
   33    H    THR   5           H        THR   5  -8.786  -7.074  -8.121
   34    HA   THR   5           HA       THR   5  -8.817  -9.386  -6.337
   35    HB   THR   5           HB       THR   5  -7.183 -10.239  -8.380
   36    HG1  THR   5           1HG      THR   5  -7.841  -9.099 -10.060
   37   1HG2  THR   5          1HG2      THR   5  -9.754 -10.932  -7.222
   38   2HG2  THR   5          2HG2      THR   5  -8.421 -11.974  -7.712
   39   3HG2  THR   5          3HG2      THR   5  -9.607 -11.443  -8.900
   40    H    CYS   6           H        CYS   6  -7.061  -9.485  -5.110
   41    HA   CYS   6           HA       CYS   6  -5.115  -7.386  -5.366
   42   1HB   CYS   6          2HB       CYS   6  -5.262  -7.484  -3.143
   43   2HB   CYS   6          1HB       CYS   6  -6.303  -8.894  -3.265
   44    H    GLY   7           H        GLY   7  -2.950  -7.615  -5.727
   45   1HA   GLY   7          1HA       GLY   7  -2.180  -9.955  -7.201
   46   2HA   GLY   7          2HA       GLY   7  -1.183  -8.540  -6.896
   47    H    GLY   8           H        GLY   8  -2.287  -9.415  -3.958
   48   1HA   GLY   8          1HA       GLY   8   0.240 -10.712  -3.309
   49   2HA   GLY   8          2HA       GLY   8  -0.938 -10.084  -2.167
   50    H    CYS   9           H        CYS   9  -3.235 -11.379  -2.895
   51    HA   CYS   9           HA       CYS   9  -2.494 -14.208  -2.510
   52   1HB   CYS   9          2HB       CYS   9  -4.277 -14.486  -0.954
   53   2HB   CYS   9          1HB       CYS   9  -3.382 -13.053  -0.463
   54    H    GLN  10           H        GLN  10  -4.514 -11.937  -4.141
   55    HA   GLN  10           HA       GLN  10  -5.920 -12.080  -5.907
   56   1HB   GLN  10          2HB       GLN  10  -4.241 -14.506  -6.161
   57   2HB   GLN  10          1HB       GLN  10  -5.698 -14.447  -7.142
   58   1HG   GLN  10          2HG       GLN  10  -3.658 -12.244  -7.111
   59   2HG   GLN  10          1HG       GLN  10  -3.582 -13.610  -8.219
   60   1HE2  GLN  10          1HE2      GLN  10  -4.235 -10.553  -8.277
   61   2HE2  GLN  10          2HE2      GLN  10  -5.579 -10.491  -9.376
   62    H    GLN  11           H        GLN  11  -6.745 -13.178  -3.195
   63    HA   GLN  11           HA       GLN  11  -8.646 -15.254  -3.831
   64   1HB   GLN  11          2HB       GLN  11  -9.136 -15.337  -1.546
   65   2HB   GLN  11          1HB       GLN  11  -7.438 -14.891  -1.586
   66   1HG   GLN  11          2HG       GLN  11  -7.865 -13.093  -0.376
   67   2HG   GLN  11          1HG       GLN  11  -8.978 -12.507  -1.612
   68   1HE2  GLN  11          1HE2      GLN  11 -10.977 -12.182  -0.979
   69   2HE2  GLN  11          2HE2      GLN  11 -11.759 -12.948   0.365
   70    H    ASN  12           H        ASN  12  -8.684 -12.230  -4.753
   71    HA   ASN  12           HA       ASN  12 -10.279 -10.836  -5.583
   72   1HB   ASN  12          2HB       ASN  12 -11.642 -12.922  -5.977
   73   2HB   ASN  12          1HB       ASN  12 -12.384 -12.658  -4.403
   74   1HD2  ASN  12          1HD2      ASN  12 -12.397 -11.859  -7.703
   75   2HD2  ASN  12          2HD2      ASN  12 -13.647 -10.655  -7.642
   76    H    ILE  13           H        ILE  13 -10.852  -8.924  -4.779
   77    HA   ILE  13           HA       ILE  13 -10.898  -8.657  -1.880
   78    HB   ILE  13           HB       ILE  13 -10.921  -6.422  -3.880
   79   1HG1  ILE  13          2HG1      ILE  13  -8.390  -7.360  -2.613
   80   2HG1  ILE  13          1HG1      ILE  13  -9.003  -8.244  -4.003
   81   1HG2  ILE  13          1HG2      ILE  13 -10.834  -5.089  -2.108
   82   2HG2  ILE  13          2HG2      ILE  13 -11.045  -6.505  -1.078
   83   3HG2  ILE  13          3HG2      ILE  13  -9.421  -5.947  -1.488
   84   1HD1  ILE  13          1HD1      ILE  13  -8.801  -5.297  -4.212
   85   2HD1  ILE  13          2HD1      ILE  13  -7.314  -6.246  -4.258
   86   3HD1  ILE  13          3HD1      ILE  13  -8.588  -6.540  -5.443
   87    H    GLY  14           H        GLY  14 -12.839  -8.982  -1.022
   88   1HA   GLY  14          1HA       GLY  14 -15.174  -7.745  -2.335
   89   2HA   GLY  14          2HA       GLY  14 -15.242  -9.085  -1.192
   90    H    ASP  15           H        ASP  15 -12.984  -7.046   0.014
   91    HA   ASP  15           HA       ASP  15 -14.682  -6.150   2.121
   92   1HB   ASP  15          2HB       ASP  15 -11.913  -5.114   1.515
   93   2HB   ASP  15          1HB       ASP  15 -12.751  -5.076   3.059
   94    H    ARG  16           H        ARG  16 -14.813  -3.854   2.779
   95    HA   ARG  16           HA       ARG  16 -15.820  -2.320   0.559
   96   1HB   ARG  16          2HB       ARG  16 -16.506  -0.686   2.260
   97   2HB   ARG  16          1HB       ARG  16 -17.043  -2.311   2.653
   98   1HG   ARG  16          2HG       ARG  16 -15.304  -2.538   4.296
   99   2HG   ARG  16          1HG       ARG  16 -14.623  -0.976   3.839
  100   1HD   ARG  16          2HD       ARG  16 -16.325   0.208   4.828
  101   2HD   ARG  16          1HD       ARG  16 -17.479  -1.115   4.662
  102    HE   ARG  16           HE       ARG  16 -15.518  -1.964   6.442
  103   1HH1  ARG  16          2HH1      ARG  16 -17.921   0.592   6.279
  104   2HH1  ARG  16          1HH1      ARG  16 -18.190   0.621   8.001
  105   1HH2  ARG  16          2HH2      ARG  16 -15.852  -1.906   8.710
  106   2HH2  ARG  16          1HH2      ARG  16 -16.990  -0.776   9.383
  107    H    TYR  17           H        TYR  17 -12.953  -2.314   2.531
  108    HA   TYR  17           HA       TYR  17 -11.966  -0.017   0.982
  109   1HB   TYR  17          2HB       TYR  17 -12.476   0.069   3.676
  110   2HB   TYR  17          1HB       TYR  17 -10.775  -0.384   3.651
  111    HD1  TYR  17           1HD      TYR  17  -9.170   1.293   3.503
  112    HD2  TYR  17           2HD      TYR  17 -13.125   2.088   2.159
  113    HE1  TYR  17           1HE      TYR  17  -8.561   3.644   3.117
  114    HE2  TYR  17           2HE      TYR  17 -12.533   4.440   1.775
  115    HH   TYR  17           HH       TYR  17 -10.866   5.924   1.665
  116    H    PHE  18           H        PHE  18  -9.798  -0.125   0.340
  117    HA   PHE  18           HA       PHE  18  -8.187  -2.404   1.101
  118   1HB   PHE  18          2HB       PHE  18  -8.145  -3.523  -0.979
  119   2HB   PHE  18          1HB       PHE  18  -9.842  -3.231  -0.646
  120    HD1  PHE  18           1HD      PHE  18  -7.659  -3.405  -3.195
  121    HD2  PHE  18           2HD      PHE  18 -10.476  -0.647  -1.584
  122    HE1  PHE  18           1HE      PHE  18  -7.892  -2.353  -5.403
  123    HE2  PHE  18           2HE      PHE  18 -10.713   0.402  -3.793
  124    HZ   PHE  18           HZ       PHE  18  -9.420  -0.447  -5.704
  125    H    LEU  19           H        LEU  19  -6.343  -2.467  -0.854
  126    HA   LEU  19           HA       LEU  19  -5.343   0.297  -1.046
  127   1HB   LEU  19          2HB       LEU  19  -4.039  -2.224  -0.124
  128   2HB   LEU  19          1HB       LEU  19  -3.066  -1.061  -0.996
  129    HG   LEU  19           HG       LEU  19  -4.659  -0.091   1.321
  130   1HD1  LEU  19          1HD1      LEU  19  -2.903  -0.753   2.869
  131   2HD1  LEU  19          2HD1      LEU  19  -3.652  -2.167   2.130
  132   3HD1  LEU  19          3HD1      LEU  19  -2.071  -1.615   1.576
  133   1HD2  LEU  19          1HD2      LEU  19  -1.823   0.596   0.792
  134   2HD2  LEU  19          2HD2      LEU  19  -3.032   1.166  -0.360
  135   3HD2  LEU  19          3HD2      LEU  19  -3.155   1.615   1.342
  136    H    LYS  20           H        LYS  20  -4.594   0.874  -3.067
  137    HA   LYS  20           HA       LYS  20  -3.578  -1.069  -4.876
  138   1HB   LYS  20          2HB       LYS  20  -5.435  -1.671  -5.951
  139   2HB   LYS  20          1HB       LYS  20  -6.405  -0.534  -5.030
  140   1HG   LYS  20          2HG       LYS  20  -4.968   0.872  -7.057
  141   2HG   LYS  20          1HG       LYS  20  -5.797  -0.497  -7.774
  142   1HD   LYS  20          2HD       LYS  20  -7.899   0.227  -6.836
  143   2HD   LYS  20          1HD       LYS  20  -7.098   1.543  -5.974
  144   1HE   LYS  20          2HE       LYS  20  -7.296   2.865  -7.745
  145   2HE   LYS  20          1HE       LYS  20  -6.428   1.699  -8.742
  146   1HZ   LYS  20          1HZ       LYS  20  -8.999   2.425  -9.096
  147   2HZ   LYS  20          2HZ       LYS  20  -9.175   0.979  -8.226
  148   3HZ   LYS  20          3HZ       LYS  20  -8.308   0.994  -9.685
  149    H    ALA  21           H        ALA  21  -2.412  -0.095  -6.585
  150    HA   ALA  21           HA       ALA  21  -2.624   2.416  -7.635
  151   1HB   ALA  21          1HB       ALA  21  -1.363   3.957  -6.430
  152   2HB   ALA  21          2HB       ALA  21  -2.275   3.123  -5.170
  153   3HB   ALA  21          3HB       ALA  21  -0.584   2.707  -5.457
  154    H    ILE  22           H        ILE  22  -0.355   0.156  -6.253
  155    HA   ILE  22           HA       ILE  22   1.977   0.670  -7.486
  156    HB   ILE  22           HB       ILE  22   0.666  -1.899  -6.700
  157   1HG1  ILE  22          2HG1      ILE  22   2.960  -0.221  -5.707
  158   2HG1  ILE  22          1HG1      ILE  22   1.448  -0.575  -4.889
  159   1HG2  ILE  22          1HG2      ILE  22   3.171  -2.772  -7.049
  160   2HG2  ILE  22          2HG2      ILE  22   1.907  -2.958  -8.266
  161   3HG2  ILE  22          3HG2      ILE  22   3.070  -1.638  -8.396
  162   1HD1  ILE  22          1HD1      ILE  22   2.241  -3.008  -4.889
  163   2HD1  ILE  22          2HD1      ILE  22   3.826  -2.345  -5.281
  164   3HD1  ILE  22          3HD1      ILE  22   3.021  -1.875  -3.782
  165    H    ASP  23           H        ASP  23  -0.598  -1.328  -8.869
  166    HA   ASP  23           HA       ASP  23  -0.394  -0.552 -11.498
  167   1HB   ASP  23          2HB       ASP  23   1.912  -1.504 -11.431
  168   2HB   ASP  23          1HB       ASP  23   1.235  -3.067 -10.989
  169    H    GLN  24           H        GLN  24  -1.163  -2.665  -9.026
  170    HA   GLN  24           HA       GLN  24  -3.503  -3.609 -10.455
  171   1HB   GLN  24          2HB       GLN  24  -3.254  -5.892  -9.594
  172   2HB   GLN  24          1HB       GLN  24  -1.893  -5.473 -10.621
  173   1HG   GLN  24          2HG       GLN  24  -1.314  -4.804  -7.893
  174   2HG   GLN  24          1HG       GLN  24  -1.836  -6.483  -8.016
  175   1HE2  GLN  24          1HE2      GLN  24   0.023  -4.432 -10.232
  176   2HE2  GLN  24          2HE2      GLN  24   1.421  -5.458 -10.284
  177    H    TYR  25           H        TYR  25  -4.852  -4.870  -8.621
  178    HA   TYR  25           HA       TYR  25  -5.073  -2.934  -6.455
  179   1HB   TYR  25          2HB       TYR  25  -6.892  -5.296  -6.752
  180   2HB   TYR  25          1HB       TYR  25  -7.241  -3.691  -6.107
  181    HD1  TYR  25           1HD      TYR  25  -8.022  -5.784  -8.671
  182    HD2  TYR  25           2HD      TYR  25  -6.695  -1.781  -8.052
  183    HE1  TYR  25           1HE      TYR  25  -8.965  -5.141 -10.851
  184    HE2  TYR  25           2HE      TYR  25  -7.638  -1.134 -10.230
  185    HH   TYR  25           HH       TYR  25  -9.804  -3.015 -11.945
  186    H    TRP  26           H        TRP  26  -5.243  -3.627  -4.261
  187    HA   TRP  26           HA       TRP  26  -3.908  -6.174  -3.685
  188   1HB   TRP  26          2HB       TRP  26  -3.257  -3.508  -2.394
  189   2HB   TRP  26          1HB       TRP  26  -2.538  -5.058  -1.974
  190    HD1  TRP  26           HD       TRP  26  -2.298  -2.232  -4.475
  191    HE1  TRP  26           1HE      TRP  26  -0.258  -2.625  -5.986
  192    HE3  TRP  26           3HE      TRP  26  -1.137  -6.989  -3.015
  193    HZ2  TRP  26           2HZ      TRP  26   1.602  -4.702  -6.502
  194    HZ3  TRP  26           3HZ      TRP  26   0.777  -8.116  -4.074
  195    HH2  TRP  26           HH       TRP  26   2.120  -6.993  -5.777
  196    H    HIS  27           H        HIS  27  -3.779  -5.827  -0.972
  197    HA   HIS  27           HA       HIS  27  -6.598  -5.563  -0.169
  198   1HB   HIS  27          2HB       HIS  27  -4.732  -7.814   0.169
  199   2HB   HIS  27          1HB       HIS  27  -5.562  -7.337   1.644
  200    HD2  HIS  27           2HD      HIS  27  -8.531  -6.851   0.634
  201    HE1  HIS  27           1HE      HIS  27  -8.184 -10.692  -1.120
  202    HE2  HIS  27           2HE      HIS  27  -9.800  -8.983  -0.150
  203    H    GLU  28           H        GLU  28  -6.851  -5.063   2.132
  204    HA   GLU  28           HA       GLU  28  -5.156  -2.942   2.946
  205   1HB   GLU  28          2HB       GLU  28  -7.614  -4.230   3.842
  206   2HB   GLU  28          1HB       GLU  28  -6.600  -3.725   5.183
  207   1HG   GLU  28          2HG       GLU  28  -6.518  -1.447   4.131
  208   2HG   GLU  28          1HG       GLU  28  -7.742  -2.011   2.994
  209    H    ASP  29           H        ASP  29  -5.360  -6.348   3.729
  210    HA   ASP  29           HA       ASP  29  -3.223  -6.026   5.724
  211   1HB   ASP  29          2HB       ASP  29  -5.470  -6.905   6.454
  212   2HB   ASP  29          1HB       ASP  29  -5.174  -8.317   5.448
  213    H    CYS  30           H        CYS  30  -3.405  -6.785   2.618
  214    HA   CYS  30           HA       CYS  30  -1.717  -9.167   2.733
  215   1HB   CYS  30          2HB       CYS  30  -3.351  -7.867   0.615
  216   2HB   CYS  30          1HB       CYS  30  -1.913  -8.745   0.099
  217    H    LEU  31           H        LEU  31  -1.668  -5.887   1.396
  218    HA   LEU  31           HA       LEU  31   0.962  -5.979   0.417
  219   1HB   LEU  31          2HB       LEU  31  -1.114  -4.016   0.711
  220   2HB   LEU  31          1HB       LEU  31   0.424  -3.326   1.196
  221    HG   LEU  31           HG       LEU  31  -0.287  -4.511  -1.483
  222   1HD1  LEU  31          1HD1      LEU  31   0.934  -1.845  -1.167
  223   2HD1  LEU  31          2HD1      LEU  31  -0.327  -2.399  -2.270
  224   3HD1  LEU  31          3HD1      LEU  31  -0.725  -2.025  -0.593
  225   1HD2  LEU  31          1HD2      LEU  31   2.412  -3.537  -0.550
  226   2HD2  LEU  31          2HD2      LEU  31   1.979  -5.222  -0.827
  227   3HD2  LEU  31          3HD2      LEU  31   1.998  -4.084  -2.173
  228    H    SER  32           H        SER  32   2.727  -6.320   1.544
  229    HA   SER  32           HA       SER  32   3.094  -4.891   4.079
  230   1HB   SER  32          2HB       SER  32   4.092  -7.709   3.779
  231   2HB   SER  32          1HB       SER  32   3.768  -6.797   5.253
  232    HG   SER  32           HG       SER  32   1.668  -7.432   3.477
  233    H    CYS  33           H        CYS  33   5.520  -5.189   4.755
  234    HA   CYS  33           HA       CYS  33   7.211  -4.105   2.790
  235   1HB   CYS  33          2HB       CYS  33   7.403  -5.059   5.547
  236   2HB   CYS  33          1HB       CYS  33   8.857  -5.395   4.624
  237    H    ASP  34           H        ASP  34   7.604  -5.224   0.936
  238    HA   ASP  34           HA       ASP  34   7.436  -8.006   0.715
  239   1HB   ASP  34          2HB       ASP  34   7.412  -6.111  -1.111
  240   2HB   ASP  34          1HB       ASP  34   9.137  -6.454  -1.195
  241    H    LEU  35           H        LEU  35  10.213  -5.885   1.031
  242    HA   LEU  35           HA       LEU  35  12.143  -7.986   0.911
  243   1HB   LEU  35          2HB       LEU  35  12.631  -5.663   0.273
  244   2HB   LEU  35          1HB       LEU  35  12.387  -5.153   1.932
  245    HG   LEU  35           HG       LEU  35  14.292  -6.979   2.352
  246   1HD1  LEU  35          1HD1      LEU  35  14.327  -6.463  -0.522
  247   2HD1  LEU  35          2HD1      LEU  35  15.879  -6.196   0.268
  248   3HD1  LEU  35          3HD1      LEU  35  15.077  -7.760   0.407
  249   1HD2  LEU  35          1HD2      LEU  35  14.439  -4.086   1.622
  250   2HD2  LEU  35          2HD2      LEU  35  14.644  -4.857   3.195
  251   3HD2  LEU  35          3HD2      LEU  35  15.916  -4.985   1.977
  252    H    CYS  36           H        CYS  36  11.210  -5.814   3.558
  253    HA   CYS  36           HA       CYS  36  12.572  -7.290   5.517
  254   1HB   CYS  36          2HB       CYS  36  10.373  -5.323   6.080
  255   2HB   CYS  36          1HB       CYS  36  11.840  -5.635   7.011
  256    H    GLY  37           H        GLY  37   9.079  -6.876   5.002
  257   1HA   GLY  37          1HA       GLY  37   7.659  -8.826   5.050
  258   2HA   GLY  37          2HA       GLY  37   8.718  -9.510   6.275
  259    H    CYS  38           H        CYS  38   7.841  -6.164   6.594
  260    HA   CYS  38           HA       CYS  38   6.410  -6.822   9.016
  261   1HB   CYS  38          2HB       CYS  38   6.352  -4.007   8.420
  262   2HB   CYS  38          1HB       CYS  38   7.170  -4.851   9.724
  263    HG   CYS  38           HG       CYS  38   8.404  -3.828   6.733
  264    H    ARG  39           H        ARG  39   5.248  -4.018   7.296
  265    HA   ARG  39           HA       ARG  39   3.136  -5.158   5.853
  266   1HB   ARG  39          2HB       ARG  39   2.700  -5.278   8.639
  267   2HB   ARG  39          1HB       ARG  39   1.688  -3.969   8.045
  268   1HG   ARG  39          2HG       ARG  39   1.669  -6.598   6.639
  269   2HG   ARG  39          1HG       ARG  39   0.768  -6.398   8.144
  270   1HD   ARG  39          2HD       ARG  39   0.243  -4.156   6.472
  271   2HD   ARG  39          1HD       ARG  39   0.026  -5.622   5.515
  272    HE   ARG  39           HE       ARG  39  -1.490  -6.369   7.367
  273   1HH1  ARG  39          2HH1      ARG  39  -0.993  -2.976   6.648
  274   2HH1  ARG  39          1HH1      ARG  39  -2.490  -2.477   7.372
  275   1HH2  ARG  39          2HH2      ARG  39  -3.462  -5.729   8.267
  276   2HH2  ARG  39          1HH2      ARG  39  -3.906  -4.042   8.284
  277    H    LEU  40           H        LEU  40   1.657  -3.586   5.021
  278    HA   LEU  40           HA       LEU  40   2.149  -0.800   5.745
  279   1HB   LEU  40          2HB       LEU  40   1.698  -1.146   2.871
  280   2HB   LEU  40          1HB       LEU  40   2.807  -0.079   3.709
  281    HG   LEU  40           HG       LEU  40   3.594  -2.913   3.725
  282   1HD1  LEU  40          1HD1      LEU  40   2.969  -3.174   1.555
  283   2HD1  LEU  40          2HD1      LEU  40   3.048  -1.447   1.206
  284   3HD1  LEU  40          3HD1      LEU  40   4.530  -2.397   1.301
  285   1HD2  LEU  40          1HD2      LEU  40   5.458  -1.026   2.609
  286   2HD2  LEU  40          2HD2      LEU  40   4.771  -0.412   4.112
  287   3HD2  LEU  40          3HD2      LEU  40   5.577  -1.982   4.087
  288    H    GLY  41           H        GLY  41   0.339   0.608   4.867
  289   1HA   GLY  41          1HA       GLY  41  -2.018  -0.369   3.771
  290   2HA   GLY  41          2HA       GLY  41  -2.134  -0.671   5.499
  291    H    GLU  42           H        GLU  42  -0.781   2.045   3.653
  292    HA   GLU  42           HA       GLU  42  -2.803   3.795   4.845
  293   1HB   GLU  42          2HB       GLU  42  -1.040   5.436   5.428
  294   2HB   GLU  42          1HB       GLU  42  -0.898   3.936   6.333
  295   1HG   GLU  42          2HG       GLU  42   0.638   4.052   3.834
  296   2HG   GLU  42          1HG       GLU  42   1.151   5.171   5.095
  297    H    VAL  43           H        VAL  43  -2.260   6.154   3.948
  298    HA   VAL  43           HA       VAL  43  -1.642   5.936   1.081
  299    HB   VAL  43           HB       VAL  43  -3.871   6.325   0.791
  300   1HG1  VAL  43          1HG1      VAL  43  -4.857   6.210   2.838
  301   2HG1  VAL  43          2HG1      VAL  43  -3.790   7.422   3.547
  302   3HG1  VAL  43          3HG1      VAL  43  -5.111   7.921   2.491
  303   1HG2  VAL  43          1HG2      VAL  43  -3.302   9.186   1.461
  304   2HG2  VAL  43          2HG2      VAL  43  -2.484   8.399   0.113
  305   3HG2  VAL  43          3HG2      VAL  43  -4.245   8.517   0.129
  306    H    GLY  44           H        GLY  44   0.052   7.152   0.586
  307   1HA   GLY  44          1HA       GLY  44   0.559   9.787   1.209
  308   2HA   GLY  44          2HA       GLY  44   1.180   8.865   2.570
  309    H    ARG  45           H        ARG  45   3.202   9.892   1.813
  310    HA   ARG  45           HA       ARG  45   4.403   8.840  -0.608
  311   1HB   ARG  45          2HB       ARG  45   6.470  10.032   0.651
  312   2HB   ARG  45          1HB       ARG  45   5.334  10.889  -0.378
  313   1HG   ARG  45          2HG       ARG  45   5.264  12.261   1.414
  314   2HG   ARG  45          1HG       ARG  45   4.029  11.111   1.931
  315   1HD   ARG  45          2HD       ARG  45   5.754  11.705   3.663
  316   2HD   ARG  45          1HD       ARG  45   5.549   9.980   3.352
  317    HE   ARG  45           HE       ARG  45   7.620  11.043   1.725
  318   1HH1  ARG  45          2HH1      ARG  45   6.911  10.154   5.038
  319   2HH1  ARG  45          1HH1      ARG  45   8.559   9.730   5.406
  320   1HH2  ARG  45          2HH2      ARG  45   9.788  10.509   2.217
  321   2HH2  ARG  45          1HH2      ARG  45  10.194   9.954   3.819
  322    H    ARG  46           H        ARG  46   3.634   6.823   0.982
  323    HA   ARG  46           HA       ARG  46   5.991   5.843   2.405
  324   1HB   ARG  46          2HB       ARG  46   3.248   4.596   2.131
  325   2HB   ARG  46          1HB       ARG  46   4.541   4.041   3.188
  326   1HG   ARG  46          2HG       ARG  46   3.975   6.823   3.665
  327   2HG   ARG  46          1HG       ARG  46   2.508   5.851   3.801
  328   1HD   ARG  46          2HD       ARG  46   4.065   6.212   5.876
  329   2HD   ARG  46          1HD       ARG  46   3.300   4.652   5.588
  330    HE   ARG  46           HE       ARG  46   6.102   5.261   4.878
  331   1HH1  ARG  46          2HH1      ARG  46   3.659   3.122   6.204
  332   2HH1  ARG  46          1HH1      ARG  46   4.754   1.777   6.384
  333   1HH2  ARG  46          2HH2      ARG  46   7.532   3.489   5.072
  334   2HH2  ARG  46          1HH2      ARG  46   6.953   1.981   5.726
  335    H    LEU  47           H        LEU  47   5.776   3.150   1.992
  336    HA   LEU  47           HA       LEU  47   7.451   2.331   0.241
  337   1HB   LEU  47          2HB       LEU  47   6.135   0.748   1.498
  338   2HB   LEU  47          1HB       LEU  47   4.733   1.052   0.488
  339    HG   LEU  47           HG       LEU  47   6.967   0.189  -1.130
  340   1HD1  LEU  47          1HD1      LEU  47   6.418  -1.306   1.364
  341   2HD1  LEU  47          2HD1      LEU  47   6.631  -2.240  -0.114
  342   3HD1  LEU  47          3HD1      LEU  47   7.909  -1.156   0.436
  343   1HD2  LEU  47          1HD2      LEU  47   5.083  -0.299  -2.244
  344   2HD2  LEU  47          2HD2      LEU  47   5.038  -1.754  -1.247
  345   3HD2  LEU  47          3HD2      LEU  47   4.114  -0.330  -0.767
  346    H    TYR  48           H        TYR  48   8.020   2.703  -1.764
  347    HA   TYR  48           HA       TYR  48   5.933   2.871  -3.836
  348   1HB   TYR  48          2HB       TYR  48   8.517   3.671  -4.836
  349   2HB   TYR  48          1HB       TYR  48   7.005   4.561  -4.855
  350    HD1  TYR  48           1HD      TYR  48   6.444   6.069  -2.964
  351    HD2  TYR  48           2HD      TYR  48  10.276   4.227  -3.321
  352    HE1  TYR  48           1HE      TYR  48   7.381   7.725  -1.408
  353    HE2  TYR  48           2HE      TYR  48  11.203   5.874  -1.753
  354    HH   TYR  48           HH       TYR  48  10.168   8.602  -1.106
  355    H    TYR  49           H        TYR  49   5.965   1.233  -5.316
  356    HA   TYR  49           HA       TYR  49   7.894  -0.862  -4.840
  357   1HB   TYR  49          2HB       TYR  49   6.396  -2.279  -5.743
  358   2HB   TYR  49          1HB       TYR  49   5.273  -0.941  -5.510
  359    HD1  TYR  49           1HD      TYR  49   5.061   0.704  -7.565
  360    HD2  TYR  49           2HD      TYR  49   6.567  -3.267  -7.811
  361    HE1  TYR  49           1HE      TYR  49   4.532   0.656  -9.965
  362    HE2  TYR  49           2HE      TYR  49   6.041  -3.325 -10.211
  363    HH   TYR  49           HH       TYR  49   4.494  -0.557 -11.823
  364    H    LYS  50           H        LYS  50   9.379  -1.670  -6.276
  365    HA   LYS  50           HA       LYS  50  10.323   0.243  -8.268
  366   1HB   LYS  50          2HB       LYS  50  11.539  -1.753  -6.526
  367   2HB   LYS  50          1HB       LYS  50  12.108  -1.903  -8.181
  368   1HG   LYS  50          2HG       LYS  50  12.985   0.270  -8.199
  369   2HG   LYS  50          1HG       LYS  50  12.078   0.730  -6.763
  370   1HD   LYS  50          2HD       LYS  50  14.415   0.416  -6.212
  371   2HD   LYS  50          1HD       LYS  50  13.425  -0.812  -5.417
  372   1HE   LYS  50          2HE       LYS  50  15.296  -1.955  -6.274
  373   2HE   LYS  50          1HE       LYS  50  13.964  -2.314  -7.373
  374   1HZ   LYS  50          1HZ       LYS  50  14.809  -0.567  -8.856
  375   2HZ   LYS  50          2HZ       LYS  50  15.945  -1.801  -8.612
  376   3HZ   LYS  50          3HZ       LYS  50  16.118  -0.320  -7.810
  377    H    LEU  51           H        LEU  51  10.953  -0.520 -10.376
  378    HA   LEU  51           HA       LEU  51   9.204  -1.193 -12.092
  379   1HB   LEU  51          2HB       LEU  51  11.242  -2.987 -12.893
  380   2HB   LEU  51          1HB       LEU  51  10.921  -1.363 -13.465
  381    HG   LEU  51           HG       LEU  51  12.270  -0.707 -11.277
  382   1HD1  LEU  51          1HD1      LEU  51  12.439  -3.200 -10.721
  383   2HD1  LEU  51          2HD1      LEU  51  13.642  -3.269 -12.011
  384   3HD1  LEU  51          3HD1      LEU  51  13.908  -2.227 -10.613
  385   1HD2  LEU  51          1HD2      LEU  51  14.106  -1.638 -13.355
  386   2HD2  LEU  51          2HD2      LEU  51  12.752  -0.679 -13.957
  387   3HD2  LEU  51          3HD2      LEU  51  13.827  -0.013 -12.727
  388    H    GLY  52           H        GLY  52  10.918  -3.980 -10.685
  389   1HA   GLY  52          1HA       GLY  52   8.489  -5.571 -11.259
  390   2HA   GLY  52          2HA       GLY  52  10.110  -6.187 -11.532
  391    H    ARG  53           H        ARG  53   9.633  -4.252  -8.736
  392    HA   ARG  53           HA       ARG  53   9.155  -6.581  -7.048
  393   1HB   ARG  53          2HB       ARG  53  11.181  -4.955  -5.789
  394   2HB   ARG  53          1HB       ARG  53  11.175  -6.685  -6.089
  395   1HG   ARG  53          2HG       ARG  53  11.978  -6.190  -8.417
  396   2HG   ARG  53          1HG       ARG  53  12.176  -4.508  -7.910
  397   1HD   ARG  53          2HD       ARG  53  13.810  -5.085  -6.306
  398   2HD   ARG  53          1HD       ARG  53  13.439  -6.802  -6.433
  399    HE   ARG  53           HE       ARG  53  14.730  -5.250  -8.592
  400   1HH1  ARG  53          2HH1      ARG  53  14.366  -8.182  -6.694
  401   2HH1  ARG  53          1HH1      ARG  53  15.679  -9.006  -7.483
  402   1HH2  ARG  53          2HH2      ARG  53  16.431  -6.346  -9.655
  403   2HH2  ARG  53          1HH2      ARG  53  16.828  -7.977  -9.197
  404    H    LYS  54           H        LYS  54   7.491  -6.037  -5.815
  405    HA   LYS  54           HA       LYS  54   6.871  -3.255  -5.283
  406   1HB   LYS  54          2HB       LYS  54   4.975  -4.365  -3.897
  407   2HB   LYS  54          1HB       LYS  54   4.912  -4.444  -5.650
  408   1HG   LYS  54          2HG       LYS  54   4.961  -6.663  -5.637
  409   2HG   LYS  54          1HG       LYS  54   6.332  -6.700  -4.525
  410   1HD   LYS  54          2HD       LYS  54   4.853  -6.423  -2.629
  411   2HD   LYS  54          1HD       LYS  54   3.465  -6.241  -3.703
  412   1HE   LYS  54          2HE       LYS  54   3.216  -8.447  -3.905
  413   2HE   LYS  54          1HE       LYS  54   4.936  -8.683  -4.231
  414   1HZ   LYS  54          1HZ       LYS  54   3.910  -9.719  -2.127
  415   2HZ   LYS  54          2HZ       LYS  54   3.997  -8.153  -1.485
  416   3HZ   LYS  54          3HZ       LYS  54   5.412  -8.936  -1.998
  417    H    LEU  55           H        LEU  55   9.166  -3.407  -4.227
  418    HA   LEU  55           HA       LEU  55   8.868  -4.076  -1.385
  419   1HB   LEU  55          2HB       LEU  55  10.999  -4.797  -1.331
  420   2HB   LEU  55          1HB       LEU  55  10.742  -5.007  -3.052
  421    HG   LEU  55           HG       LEU  55  11.843  -2.412  -2.067
  422   1HD1  LEU  55          1HD1      LEU  55  13.947  -4.214  -2.807
  423   2HD1  LEU  55          2HD1      LEU  55  13.755  -3.254  -1.338
  424   3HD1  LEU  55          3HD1      LEU  55  13.040  -4.865  -1.440
  425   1HD2  LEU  55          1HD2      LEU  55  11.400  -3.726  -4.570
  426   2HD2  LEU  55          2HD2      LEU  55  11.937  -2.076  -4.254
  427   3HD2  LEU  55          3HD2      LEU  55  13.121  -3.381  -4.374
  428    H    CYS  56           H        CYS  56  10.293  -2.717   0.044
  429    HA   CYS  56           HA       CYS  56   9.444  -0.035   0.000
  430   1HB   CYS  56          2HB       CYS  56  11.632  -0.394   1.757
  431   2HB   CYS  56          1HB       CYS  56   9.910  -0.464   2.151
  432    H    ARG  57           H        ARG  57  11.039   1.832   0.231
  433    HA   ARG  57           HA       ARG  57  13.232   1.492  -1.707
  434   1HB   ARG  57          2HB       ARG  57  11.401   3.233  -2.155
  435   2HB   ARG  57          1HB       ARG  57  12.132   4.152  -0.846
  436   1HG   ARG  57          2HG       ARG  57  13.001   4.969  -2.908
  437   2HG   ARG  57          1HG       ARG  57  14.287   4.090  -2.083
  438   1HD   ARG  57          2HD       ARG  57  14.434   3.386  -4.304
  439   2HD   ARG  57          1HD       ARG  57  13.570   2.082  -3.488
  440    HE   ARG  57           HE       ARG  57  12.400   4.069  -5.321
  441   1HH1  ARG  57          2HH1      ARG  57  12.091   1.127  -3.426
  442   2HH1  ARG  57          1HH1      ARG  57  10.593   0.665  -4.163
  443   1HH2  ARG  57          2HH2      ARG  57  10.484   3.424  -6.339
  444   2HH2  ARG  57          1HH2      ARG  57   9.714   1.940  -5.873
  445    H    ARG  58           H        ARG  58  12.353   2.921   1.397
  446    HA   ARG  58           HA       ARG  58  15.004   3.747   2.038
  447   1HB   ARG  58          2HB       ARG  58  12.669   3.187   3.882
  448   2HB   ARG  58          1HB       ARG  58  14.144   4.033   4.327
  449   1HG   ARG  58          2HG       ARG  58  12.016   4.950   2.412
  450   2HG   ARG  58          1HG       ARG  58  12.443   5.657   3.970
  451   1HD   ARG  58          2HD       ARG  58  14.746   6.063   2.980
  452   2HD   ARG  58          1HD       ARG  58  14.033   5.665   1.419
  453    HE   ARG  58           HE       ARG  58  12.480   7.569   1.841
  454   1HH1  ARG  58          2HH1      ARG  58  15.551   7.423   3.512
  455   2HH1  ARG  58          1HH1      ARG  58  15.709   9.153   3.641
  456   1HH2  ARG  58          2HH2      ARG  58  12.672   9.859   2.033
  457   2HH2  ARG  58          1HH2      ARG  58  14.078  10.534   2.812
  458    H    ASP  59           H        ASP  59  13.131   0.829   2.540
  459    HA   ASP  59           HA       ASP  59  15.204  -0.414   4.135
  460   1HB   ASP  59          2HB       ASP  59  12.758  -1.661   2.857
  461   2HB   ASP  59          1HB       ASP  59  13.780  -2.400   4.082
  462    H    TYR  60           H        TYR  60  14.283  -0.137   0.817
  463    HA   TYR  60           HA       TYR  60  15.821  -2.286  -0.231
  464   1HB   TYR  60          2HB       TYR  60  14.622  -1.543  -2.009
  465   2HB   TYR  60          1HB       TYR  60  14.399   0.051  -1.299
  466    HD1  TYR  60           1HD      TYR  60  16.012   1.853  -1.736
  467    HD2  TYR  60           2HD      TYR  60  16.407  -1.971  -3.575
  468    HE1  TYR  60           1HE      TYR  60  17.684   2.767  -3.285
  469    HE2  TYR  60           2HE      TYR  60  18.079  -1.059  -5.128
  470    HH   TYR  60           HH       TYR  60  19.769   1.536  -4.650
  471    H    LEU  61           H        LEU  61  16.482   1.041   0.702
  472    HA   LEU  61           HA       LEU  61  19.043   1.240  -0.415
  473   1HB   LEU  61          2HB       LEU  61  17.298   2.886   0.977
  474   2HB   LEU  61          1HB       LEU  61  18.720   2.804   2.004
  475    HG   LEU  61           HG       LEU  61  19.360   3.273  -0.810
  476   1HD1  LEU  61          1HD1      LEU  61  17.118   4.440  -0.450
  477   2HD1  LEU  61          2HD1      LEU  61  17.998   5.517   0.633
  478   3HD1  LEU  61          3HD1      LEU  61  18.459   5.412  -1.067
  479   1HD2  LEU  61          1HD2      LEU  61  21.097   3.575   0.714
  480   2HD2  LEU  61          2HD2      LEU  61  20.568   5.220   0.349
  481   3HD2  LEU  61          3HD2      LEU  61  20.071   4.446   1.854
  482    H    ARG  62           H        ARG  62  18.051  -0.667   2.203
  483    HA   ARG  62           HA       ARG  62  20.536  -0.536   3.653
  484   1HB   ARG  62          2HB       ARG  62  18.003  -1.692   4.076
  485   2HB   ARG  62          1HB       ARG  62  19.159  -3.018   4.062
  486   1HG   ARG  62          2HG       ARG  62  18.747  -2.066   6.315
  487   2HG   ARG  62          1HG       ARG  62  20.438  -2.000   5.815
  488   1HD   ARG  62          2HD       ARG  62  18.860   0.365   5.093
  489   2HD   ARG  62          1HD       ARG  62  19.018   0.099   6.828
  490    HE   ARG  62           HE       ARG  62  21.541  -0.130   5.502
  491   1HH1  ARG  62          2HH1      ARG  62  19.196   2.232   6.636
  492   2HH1  ARG  62          1HH1      ARG  62  20.395   3.465   6.888
  493   1HH2  ARG  62          2HH2      ARG  62  23.102   1.512   5.837
  494   2HH2  ARG  62          1HH2      ARG  62  22.593   3.067   6.443
  495    H    LEU  63           H        LEU  63  19.439  -2.112   0.820
  496    HA   LEU  63           HA       LEU  63  21.895  -3.740   0.786
  497   1HB   LEU  63          2HB       LEU  63  20.361  -4.882  -1.155
  498   2HB   LEU  63          1HB       LEU  63  20.536  -5.487   0.479
  499    HG   LEU  63           HG       LEU  63  18.434  -3.492   0.286
  500   1HD1  LEU  63          1HD1      LEU  63  17.992  -6.036  -1.257
  501   2HD1  LEU  63          2HD1      LEU  63  16.893  -4.671  -1.075
  502   3HD1  LEU  63          3HD1      LEU  63  18.369  -4.494  -2.024
  503   1HD2  LEU  63          1HD2      LEU  63  17.167  -5.430   1.303
  504   2HD2  LEU  63          2HD2      LEU  63  18.682  -6.330   1.239
  505   3HD2  LEU  63          3HD2      LEU  63  18.572  -4.856   2.202
  506    H    GLY  64           H        GLY  64  19.660  -1.795  -1.150
  507   1HA   GLY  64          1HA       GLY  64  21.586  -1.589  -3.336
  508   2HA   GLY  64          2HA       GLY  64  19.984  -0.864  -3.281
  509    H    GLY  65           H        GLY  65  22.039  -0.559  -0.573
  510   1HA   GLY  65          1HA       GLY  65  22.282   2.321  -1.044
  511   2HA   GLY  65          2HA       GLY  65  22.409   1.513   0.513
  512    H    SER  66           H        SER  66  23.976   0.835  -2.569
  513    HA   SER  66           HA       SER  66  26.331  -0.123  -1.721
  514   1HB   SER  66          2HB       SER  66  26.831   1.507  -4.037
  515   2HB   SER  66          1HB       SER  66  26.649  -0.245  -3.928
  516    HG   SER  66           HG       SER  66  24.941   0.258  -5.125
  517    H    GLY  67           H        GLY  67  25.464   3.228  -1.529
  518   1HA   GLY  67          1HA       GLY  67  28.108   4.302  -1.389
  519   2HA   GLY  67          2HA       GLY  67  26.633   5.101  -0.866
  520    H    GLY  68           H        GLY  68  26.337   2.394   0.757
  521   1HA   GLY  68          1HA       GLY  68  26.979   1.564   2.812
  522   2HA   GLY  68          2HA       GLY  68  28.363   2.647   2.783
  523    H    HIS  69           H        HIS  69  28.368   4.073   4.349
  524    HA   HIS  69           HA       HIS  69  25.877   4.762   5.709
  525   1HB   HIS  69          2HB       HIS  69  28.581   4.459   6.520
  526   2HB   HIS  69          1HB       HIS  69  28.153   6.148   6.767
  527    HD2  HIS  69           2HD      HIS  69  25.106   3.998   7.343
  528    HE1  HIS  69           1HE      HIS  69  26.915   4.601  11.121
  529    HE2  HIS  69           2HE      HIS  69  24.926   3.604   9.911
  530    H    MET  70           H        MET  70  28.501   6.199   3.876
  531    HA   MET  70           HA       MET  70  27.722   8.896   4.063
  532   1HB   MET  70          2HB       MET  70  29.270   7.360   1.983
  533   2HB   MET  70          1HB       MET  70  28.982   9.088   1.844
  534   1HG   MET  70          2HG       MET  70  29.964   8.950   4.350
  535   2HG   MET  70          1HG       MET  70  30.814   7.607   3.588
  536   1HE   MET  70          1HE       MET  70  33.773   9.468   3.111
  537   2HE   MET  70          2HE       MET  70  32.871   8.019   3.556
  538   3HE   MET  70          3HE       MET  70  33.241   8.341   1.862
  539    H    GLY  71           H        GLY  71  27.186   6.565   1.428
  540   1HA   GLY  71          1HA       GLY  71  25.532   6.407  -0.153
  541   2HA   GLY  71          2HA       GLY  71  24.491   7.206   1.016
  542    H    SER  72           H        SER  72  27.387   8.379  -0.680
  543    HA   SER  72           HA       SER  72  25.778  10.655  -1.619
  544   1HB   SER  72          2HB       SER  72  28.672  10.926  -1.888
  545   2HB   SER  72          1HB       SER  72  27.518  11.985  -1.074
  546    HG   SER  72           HG       SER  72  28.828   9.686  -0.055
  547    H    GLY  73           H        GLY  73  25.275   8.594  -3.131
  548   1HA   GLY  73          1HA       GLY  73  27.204   8.067  -5.165
  549   2HA   GLY  73          2HA       GLY  73  25.525   7.551  -5.168
  550    H    GLY  74           H        GLY  74  24.127   9.853  -5.219
  551   1HA   GLY  74          1HA       GLY  74  23.524  11.665  -6.535
  552   2HA   GLY  74          2HA       GLY  74  25.126  11.633  -7.264
  553    H    ASP  75           H        ASP  75  25.530   9.705  -8.699
  554    HA   ASP  75           HA       ASP  75  23.110   8.735 -10.037
  555   1HB   ASP  75          2HB       ASP  75  23.867  10.618 -11.400
  556   2HB   ASP  75          1HB       ASP  75  25.491   9.945 -11.464
  557    H    VAL  76           H        VAL  76  23.258   6.633  -9.592
  558    HA   VAL  76           HA       VAL  76  25.879   5.323  -9.871
  559    HB   VAL  76           HB       VAL  76  23.642   3.953  -8.456
  560   1HG1  VAL  76          1HG1      VAL  76  26.633   4.075  -8.201
  561   2HG1  VAL  76          2HG1      VAL  76  25.613   3.298  -6.991
  562   3HG1  VAL  76          3HG1      VAL  76  25.625   2.698  -8.649
  563   1HG2  VAL  76          1HG2      VAL  76  24.599   5.121  -6.324
  564   2HG2  VAL  76          2HG2      VAL  76  25.025   6.401  -7.457
  565   3HG2  VAL  76          3HG2      VAL  76  23.343   5.909  -7.276
  566    H    MET  77           H        MET  77  26.077   4.255 -11.718
  567    HA   MET  77           HA       MET  77  23.868   3.626 -13.364
  568   1HB   MET  77          2HB       MET  77  26.752   2.775 -13.532
  569   2HB   MET  77          1HB       MET  77  25.558   2.507 -14.798
  570   1HG   MET  77          2HG       MET  77  25.186   5.050 -14.649
  571   2HG   MET  77          1HG       MET  77  26.745   5.062 -13.839
  572   1HE   MET  77          1HE       MET  77  24.773   4.229 -17.062
  573   2HE   MET  77          2HE       MET  77  25.269   5.920 -16.992
  574   3HE   MET  77          3HE       MET  77  25.917   4.861 -18.245
  575    H    VAL  78           H        VAL  78  22.450   2.191 -12.528
  576    HA   VAL  78           HA       VAL  78  23.024  -0.573 -12.773
  577    HB   VAL  78           HB       VAL  78  22.075  -0.897 -10.260
  578   1HG1  VAL  78          1HG1      VAL  78  23.779  -2.302 -10.614
  579   2HG1  VAL  78          2HG1      VAL  78  24.720  -1.107 -11.508
  580   3HG1  VAL  78          3HG1      VAL  78  24.721  -1.089  -9.744
  581   1HG2  VAL  78          1HG2      VAL  78  23.834   1.540 -10.155
  582   2HG2  VAL  78          2HG2      VAL  78  22.212   1.326  -9.493
  583   3HG2  VAL  78          3HG2      VAL  78  23.580   0.483  -8.767
  584    H    VAL  79           H        VAL  79  20.947  -1.555 -11.143
  585    HA   VAL  79           HA       VAL  79  18.597  -0.135 -12.222
  586    HB   VAL  79           HB       VAL  79  18.505  -3.014 -11.335
  587   1HG1  VAL  79          1HG1      VAL  79  16.826  -1.728 -13.456
  588   2HG1  VAL  79          2HG1      VAL  79  16.461  -3.117 -12.433
  589   3HG1  VAL  79          3HG1      VAL  79  16.448  -1.491 -11.752
  590   1HG2  VAL  79          1HG2      VAL  79  18.626  -2.560 -14.229
  591   2HG2  VAL  79          2HG2      VAL  79  20.137  -2.247 -13.373
  592   3HG2  VAL  79          3HG2      VAL  79  19.361  -3.826 -13.244
  593    H    GLY  80           H        GLY  80  19.959   0.687  -9.954
  594   1HA   GLY  80          1HA       GLY  80  18.628  -0.435  -7.631
  595   2HA   GLY  80          2HA       GLY  80  19.878   0.800  -7.625
  596    H    GLU  81           H        GLU  81  19.202   2.939  -8.517
  597    HA   GLU  81           HA       GLU  81  17.939   4.812  -8.369
  598   1HB   GLU  81          2HB       GLU  81  15.941   2.727  -9.076
  599   2HB   GLU  81          1HB       GLU  81  15.328   4.281  -8.527
  600   1HG   GLU  81          2HG       GLU  81  15.702   5.182 -10.510
  601   2HG   GLU  81          1HG       GLU  81  17.399   4.712 -10.444
  602    HA   PRO  82           HA       PRO  82  16.985   4.088  -3.956
  603   1HB   PRO  82          2HB       PRO  82  19.155   5.708  -3.129
  604   2HB   PRO  82          1HB       PRO  82  19.088   3.946  -3.148
  605   1HG   PRO  82          2HG       PRO  82  20.734   5.540  -4.745
  606   2HG   PRO  82          1HG       PRO  82  20.368   3.828  -5.016
  607   1HD   PRO  82          2HD       PRO  82  19.182   6.248  -6.298
  608   2HD   PRO  82          1HD       PRO  82  19.528   4.651  -6.997
  609    H    THR  83           H        THR  83  16.363   5.494  -2.226
  610    HA   THR  83           HA       THR  83  15.125   7.940  -3.087
  611    HB   THR  83           HB       THR  83  14.938   7.861  -0.324
  612    HG1  THR  83           1HG      THR  83  15.711   5.859   0.016
  613   1HG2  THR  83          1HG2      THR  83  12.667   6.896  -0.778
  614   2HG2  THR  83          2HG2      THR  83  13.155   6.704  -2.461
  615   3HG2  THR  83          3HG2      THR  83  13.070   8.312  -1.748
  616    H    LEU  84           H        LEU  84  15.388   9.965  -1.730
  617    HA   LEU  84           HA       LEU  84  18.105  10.792  -1.776
  618   1HB   LEU  84          2HB       LEU  84  15.565  12.035  -0.758
  619   2HB   LEU  84          1HB       LEU  84  17.115  12.824  -0.535
  620    HG   LEU  84           HG       LEU  84  17.109  12.259  -3.233
  621   1HD1  LEU  84          1HD1      LEU  84  14.535  11.804  -2.595
  622   2HD1  LEU  84          2HD1      LEU  84  14.474  13.539  -2.899
  623   3HD1  LEU  84          3HD1      LEU  84  15.057  12.444  -4.153
  624   1HD2  LEU  84          1HD2      LEU  84  17.907  14.323  -2.679
  625   2HD2  LEU  84          2HD2      LEU  84  16.311  14.778  -3.274
  626   3HD2  LEU  84          3HD2      LEU  84  16.600  14.646  -1.540
  627    H    MET  85           H        MET  85  19.431   9.704  -0.386
  628    HA   MET  85           HA       MET  85  18.733   9.771   2.475
  629   1HB   MET  85          2HB       MET  85  19.016   7.519   1.740
  630   2HB   MET  85          1HB       MET  85  20.516   7.913   0.909
  631   1HG   MET  85          2HG       MET  85  20.619   8.578   3.724
  632   2HG   MET  85          1HG       MET  85  20.257   6.878   3.450
  633   1HE   MET  85          1HE       MET  85  21.898   5.151   2.940
  634   2HE   MET  85          2HE       MET  85  23.627   5.446   3.126
  635   3HE   MET  85          3HE       MET  85  22.515   5.859   4.433
  636    H    GLY  86           H        GLY  86  21.472  10.109   0.231
  637   1HA   GLY  86          1HA       GLY  86  22.626  12.065   2.102
  638   2HA   GLY  86          2HA       GLY  86  23.625  10.777   1.444
  639    H    GLY  87           H        GLY  87  23.879  10.694  -0.904
  640   1HA   GLY  87          1HA       GLY  87  24.297  13.348  -1.984
  641   2HA   GLY  87          2HA       GLY  87  24.737  11.827  -2.742
  642    H    GLU  88           H        GLU  88  21.693  13.131  -1.595
  643    HA   GLU  88           HA       GLU  88  19.573  12.793  -2.575
  644   1HB   GLU  88          2HB       GLU  88  20.909  15.012  -4.089
  645   2HB   GLU  88          1HB       GLU  88  19.211  14.895  -3.648
  646   1HG   GLU  88          2HG       GLU  88  19.645  15.994  -1.783
  647   2HG   GLU  88          1HG       GLU  88  20.699  14.678  -1.269
  648    H    PHE  89           H        PHE  89  19.665  10.779  -3.732
  649    HA   PHE  89           HA       PHE  89  20.205  10.912  -6.588
  650   1HB   PHE  89          2HB       PHE  89  18.878   8.499  -5.532
  651   2HB   PHE  89          1HB       PHE  89  20.309   8.644  -6.555
  652    HD1  PHE  89           1HD      PHE  89  19.106   7.832  -3.336
  653    HD2  PHE  89           2HD      PHE  89  22.471   9.442  -5.377
  654    HE1  PHE  89           1HE      PHE  89  20.525   7.311  -1.402
  655    HE2  PHE  89           2HE      PHE  89  23.894   8.920  -3.443
  656    HZ   PHE  89           HZ       PHE  89  22.916   7.860  -1.453
  657    H    GLY  90           H        GLY  90  18.049   8.979  -7.173
  658   1HA   GLY  90          1HA       GLY  90  15.522  10.012  -6.544
  659   2HA   GLY  90          2HA       GLY  90  16.077  10.773  -8.030
  660    H    ASP  91           H        ASP  91  14.570   8.089  -6.685
  661    HA   ASP  91           HA       ASP  91  15.316   6.144  -8.610
  662   1HB   ASP  91          2HB       ASP  91  13.464   4.813  -7.726
  663   2HB   ASP  91          1HB       ASP  91  14.450   5.466  -6.439
  664    H    GLU  92           H        GLU  92  12.285   7.821  -8.089
  665    HA   GLU  92           HA       GLU  92  10.755   8.746  -9.557
  666   1HB   GLU  92          2HB       GLU  92  12.760   7.880 -11.617
  667   2HB   GLU  92          1HB       GLU  92  11.163   8.451 -12.081
  668   1HG   GLU  92          2HG       GLU  92  11.674  10.591 -11.685
  669   2HG   GLU  92          1HG       GLU  92  12.552  10.209 -10.205
  670    H    ASP  93           H        ASP  93  11.758   5.698  -9.166
  671    HA   ASP  93           HA       ASP  93   9.599   4.327 -10.562
  672   1HB   ASP  93          2HB       ASP  93  12.113   3.549  -9.664
  673   2HB   ASP  93          1HB       ASP  93  11.030   2.857  -8.464
  674    H    GLU  94           H        GLU  94   9.314   6.462  -8.490
  675    HA   GLU  94           HA       GLU  94   8.495   5.235  -6.075
  676   1HB   GLU  94          2HB       GLU  94   7.488   7.837  -6.057
  677   2HB   GLU  94          1HB       GLU  94   9.011   7.286  -5.377
  678   1HG   GLU  94          2HG       GLU  94  10.240   8.203  -7.027
  679   2HG   GLU  94          1HG       GLU  94   9.027   7.874  -8.263
  680    H    ARG  95           H        ARG  95   6.941   3.828  -7.481
  681    HA   ARG  95           HA       ARG  95   4.319   5.099  -7.696
  682   1HB   ARG  95          2HB       ARG  95   5.220   3.364  -9.375
  683   2HB   ARG  95          1HB       ARG  95   4.876   2.174  -8.125
  684   1HG   ARG  95          2HG       ARG  95   2.923   2.077  -9.277
  685   2HG   ARG  95          1HG       ARG  95   2.517   3.364  -8.140
  686   1HD   ARG  95          2HD       ARG  95   3.618   3.831 -10.906
  687   2HD   ARG  95          1HD       ARG  95   1.900   3.840 -10.513
  688    HE   ARG  95           HE       ARG  95   2.267   5.797  -9.183
  689   1HH1  ARG  95          2HH1      ARG  95   4.973   4.823 -11.186
  690   2HH1  ARG  95          1HH1      ARG  95   5.730   6.391 -11.141
  691   1HH2  ARG  95          2HH2      ARG  95   3.270   7.837  -9.094
  692   2HH2  ARG  95          1HH2      ARG  95   4.771   8.100  -9.939
  693    H    LEU  96           H        LEU  96   4.011   5.574  -5.524
  694    HA   LEU  96           HA       LEU  96   4.115   3.532  -3.517
  695   1HB   LEU  96          2HB       LEU  96   3.110   5.323  -2.071
  696   2HB   LEU  96          1HB       LEU  96   4.669   5.695  -2.781
  697    HG   LEU  96           HG       LEU  96   3.195   6.849  -4.637
  698   1HD1  LEU  96          1HD1      LEU  96   1.402   7.489  -2.387
  699   2HD1  LEU  96          2HD1      LEU  96   1.068   7.375  -4.118
  700   3HD1  LEU  96          3HD1      LEU  96   1.196   5.905  -3.146
  701   1HD2  LEU  96          1HD2      LEU  96   3.809   8.833  -3.710
  702   2HD2  LEU  96          2HD2      LEU  96   3.255   8.382  -2.098
  703   3HD2  LEU  96          3HD2      LEU  96   4.787   7.759  -2.711
  704    H    ILE  97           H        ILE  97   2.095   3.402  -2.015
  705    HA   ILE  97           HA       ILE  97  -0.181   2.786  -3.771
  706    HB   ILE  97           HB       ILE  97  -0.575   1.577  -1.246
  707   1HG1  ILE  97          2HG1      ILE  97   1.659   0.037  -1.935
  708   2HG1  ILE  97          1HG1      ILE  97   2.228   1.702  -1.979
  709   1HG2  ILE  97          1HG2      ILE  97  -1.565   0.546  -3.036
  710   2HG2  ILE  97          2HG2      ILE  97  -0.131   0.684  -4.054
  711   3HG2  ILE  97          3HG2      ILE  97  -0.182  -0.514  -2.761
  712   1HD1  ILE  97          1HD1      ILE  97   1.684   0.018   0.273
  713   2HD1  ILE  97          2HD1      ILE  97   2.463   1.602   0.217
  714   3HD1  ILE  97          3HD1      ILE  97   0.707   1.485   0.356
  715    H    THR  98           H        THR  98  -2.304   3.103  -2.935
  716    HA   THR  98           HA       THR  98  -2.502   5.088  -0.791
  717    HB   THR  98           HB       THR  98  -2.689   6.088  -3.139
  718    HG1  THR  98           1HG      THR  98  -4.646   7.305  -2.480
  719   1HG2  THR  98          1HG2      THR  98  -5.483   5.012  -3.127
  720   2HG2  THR  98          2HG2      THR  98  -4.175   4.113  -3.893
  721   3HG2  THR  98          3HG2      THR  98  -4.575   5.735  -4.454
  722    H    ARG  99           H        ARG  99  -4.526   5.081   0.321
  723    HA   ARG  99           HA       ARG  99  -5.750   2.443   0.401
  724   1HB   ARG  99          2HB       ARG  99  -5.877   4.871   2.170
  725   2HB   ARG  99          1HB       ARG  99  -7.068   3.589   2.326
  726   1HG   ARG  99          2HG       ARG  99  -4.275   2.684   2.313
  727   2HG   ARG  99          1HG       ARG  99  -4.734   3.694   3.683
  728   1HD   ARG  99          2HD       ARG  99  -6.243   1.244   2.790
  729   2HD   ARG  99          1HD       ARG  99  -5.038   1.257   4.077
  730    HE   ARG  99           HE       ARG  99  -7.581   2.752   4.166
  731   1HH1  ARG  99          2HH1      ARG  99  -4.944   1.124   5.776
  732   2HH1  ARG  99          1HH1      ARG  99  -5.704   1.161   7.336
  733   1HH2  ARG  99          2HH2      ARG  99  -8.589   2.810   6.200
  734   2HH2  ARG  99          1HH2      ARG  99  -7.788   2.106   7.571
  735    H    LEU 100           H        LEU 100  -7.619   1.993  -0.594
  736    HA   LEU 100           HA       LEU 100  -9.203   4.275  -1.567
  737   1HB   LEU 100          2HB       LEU 100  -7.678   2.640  -3.099
  738   2HB   LEU 100          1HB       LEU 100  -9.218   1.804  -3.165
  739    HG   LEU 100           HG       LEU 100 -10.049   4.296  -3.720
  740   1HD1  LEU 100          1HD1      LEU 100  -8.523   5.661  -4.666
  741   2HD1  LEU 100          2HD1      LEU 100  -7.412   4.770  -3.626
  742   3HD1  LEU 100          3HD1      LEU 100  -7.574   4.329  -5.325
  743   1HD2  LEU 100          1HD2      LEU 100  -9.679   1.892  -5.092
  744   2HD2  LEU 100          2HD2      LEU 100 -10.676   3.263  -5.577
  745   3HD2  LEU 100          3HD2      LEU 100  -9.010   3.142  -6.139
  746    H    GLU 101           H        GLU 101 -11.297   3.388  -2.549
  747    HA   GLU 101           HA       GLU 101 -12.570   1.578  -0.612
  748   1HB   GLU 101          2HB       GLU 101 -14.663   2.850  -1.855
  749   2HB   GLU 101          1HB       GLU 101 -14.007   3.281  -0.282
  750   1HG   GLU 101          2HG       GLU 101 -13.185   5.212  -1.028
  751   2HG   GLU 101          1HG       GLU 101 -12.580   4.497  -2.513
  752    H    ASN 102           H        ASN 102 -13.850  -0.071  -1.398
  753    HA   ASN 102           HA       ASN 102 -13.124  -1.280  -3.797
  754   1HB   ASN 102          2HB       ASN 102 -14.258  -2.329  -1.758
  755   2HB   ASN 102          1HB       ASN 102 -15.780  -1.734  -2.420
  756   1HD2  ASN 102          1HD2      ASN 102 -14.163  -4.422  -2.067
  757   2HD2  ASN 102          2HD2      ASN 102 -14.530  -5.255  -3.549
  758    H    THR 103           H        THR 103 -16.519  -0.504  -3.299
  759    HA   THR 103           HA       THR 103 -16.587   1.181  -5.648
  760    HB   THR 103           HB       THR 103 -18.612  -1.045  -5.534
  761    HG1  THR 103           1HG      THR 103 -16.587  -2.110  -5.647
  762   1HG2  THR 103          1HG2      THR 103 -17.682  -0.152  -8.129
  763   2HG2  THR 103          2HG2      THR 103 -18.254   1.195  -7.145
  764   3HG2  THR 103          3HG2      THR 103 -19.318  -0.174  -7.469
  765    H    GLN 104           H        GLN 104 -19.671   0.165  -5.125
  766    HA   GLN 104           HA       GLN 104 -20.202   2.372  -3.273
  767   1HB   GLN 104          2HB       GLN 104 -22.665   1.399  -3.999
  768   2HB   GLN 104          1HB       GLN 104 -21.838   2.739  -4.778
  769   1HG   GLN 104          2HG       GLN 104 -22.505   1.360  -6.534
  770   2HG   GLN 104          1HG       GLN 104 -20.797   0.992  -6.309
  771   1HE2  GLN 104          1HE2      GLN 104 -24.014  -0.188  -6.156
  772   2HE2  GLN 104          2HE2      GLN 104 -23.628  -1.837  -5.753
  773    H    PHE 105           H        PHE 105 -18.965   0.148  -2.189
  774    HA   PHE 105           HA       PHE 105 -20.895  -1.647  -1.061
  775   1HB   PHE 105          2HB       PHE 105 -18.519  -2.275  -1.578
  776   2HB   PHE 105          1HB       PHE 105 -18.018  -1.272  -0.221
  777    HD1  PHE 105           1HD      PHE 105 -19.260  -1.817   2.058
  778    HD2  PHE 105           2HD      PHE 105 -18.852  -4.516  -1.215
  779    HE1  PHE 105           1HE      PHE 105 -19.585  -3.723   3.585
  780    HE2  PHE 105           2HE      PHE 105 -19.194  -6.420   0.307
  781    HZ   PHE 105           HZ       PHE 105 -19.559  -6.023   2.710
  782    H    ASP 106           H        ASP 106 -18.526   0.407   0.604
  783    HA   ASP 106           HA       ASP 106 -19.649   0.274   3.105
  784   1HB   ASP 106          2HB       ASP 106 -17.407   1.337   2.296
  785   2HB   ASP 106          1HB       ASP 106 -18.338   2.820   2.184
  786    H    ALA 107           H        ALA 107 -19.709   3.318   1.376
  787    HA   ALA 107           HA       ALA 107 -22.508   3.487   1.186
  788   1HB   ALA 107          1HB       ALA 107 -21.546   4.171   3.726
  789   2HB   ALA 107          2HB       ALA 107 -21.889   5.703   2.923
  790   3HB   ALA 107          3HB       ALA 107 -23.154   4.485   3.075
  791    H    ALA 108           H        ALA 108 -20.270   3.767  -0.446
  792    HA   ALA 108           HA       ALA 108 -19.976   6.630  -0.937
  793   1HB   ALA 108          1HB       ALA 108 -18.453   4.460  -2.337
  794   2HB   ALA 108          2HB       ALA 108 -17.987   6.137  -2.047
  795   3HB   ALA 108          3HB       ALA 108 -18.013   4.987  -0.712
  796    H    ASN 109           H        ASN 109 -21.050   7.576  -2.518
  797    HA   ASN 109           HA       ASN 109 -22.012   5.919  -4.755
  798   1HB   ASN 109          2HB       ASN 109 -23.635   7.141  -2.884
  799   2HB   ASN 109          1HB       ASN 109 -23.617   8.308  -4.202
  800   1HD2  ASN 109          1HD2      ASN 109 -25.970   7.278  -3.675
  801   2HD2  ASN 109          2HD2      ASN 109 -26.437   6.085  -4.851
  802    H    GLY 110           H        GLY 110 -19.619   7.662  -4.318
  803   1HA   GLY 110          1HA       GLY 110 -18.826   8.588  -6.579
  804   2HA   GLY 110          2HA       GLY 110 -20.131   9.741  -6.339
  805    H    ILE 111           H        ILE 111 -19.943  10.384  -3.712
  806    HA   ILE 111           HA       ILE 111 -17.272  11.619  -3.591
  807    HB   ILE 111           HB       ILE 111 -19.597  12.644  -2.001
  808   1HG1  ILE 111          2HG1      ILE 111 -19.119  13.977  -4.583
  809   2HG1  ILE 111          1HG1      ILE 111 -19.819  12.367  -4.719
  810   1HG2  ILE 111          1HG2      ILE 111 -17.053  13.804  -3.108
  811   2HG2  ILE 111          2HG2      ILE 111 -18.358  14.811  -2.474
  812   3HG2  ILE 111          3HG2      ILE 111 -17.550  13.648  -1.421
  813   1HD1  ILE 111          1HD1      ILE 111 -21.183  13.860  -2.689
  814   2HD1  ILE 111          2HD1      ILE 111 -21.140  14.770  -4.198
  815   3HD1  ILE 111          3HD1      ILE 111 -21.814  13.141  -4.168
  816    H    ASP 112           H        ASP 112 -17.258   9.110  -2.739
  817    HA   ASP 112           HA       ASP 112 -16.641   7.755  -1.029
  818   1HB   ASP 112          2HB       ASP 112 -15.391  10.076  -0.483
  819   2HB   ASP 112          1HB       ASP 112 -16.411   9.967   0.947
  820    H    ASP 113           H        ASP 113 -17.088   8.019   1.764
  821    HA   ASP 113           HA       ASP 113 -19.874   7.307   1.918
  822   1HB   ASP 113          2HB       ASP 113 -18.519   6.091   3.414
  823   2HB   ASP 113          1HB       ASP 113 -17.637   7.527   3.926
  824    H    GLU 114           H        GLU 114 -21.093   9.037   1.400
  825    HA   GLU 114           HA       GLU 114 -20.489  11.647   2.333
  826   1HB   GLU 114          2HB       GLU 114 -22.127  10.463   0.344
  827   2HB   GLU 114          1HB       GLU 114 -23.162  11.463   1.349
  828   1HG   GLU 114          2HG       GLU 114 -21.333  13.262   1.021
  829   2HG   GLU 114          1HG       GLU 114 -20.834  12.258  -0.340
  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1 -20.737  -1.418  -9.831
    2   2H    GLY   1          2H        GLY   1 -21.172  -1.818 -11.421
    3   3H    GLY   1          3H        GLY   1 -21.309  -0.216 -10.882
    4   1HA   GLY   1          2HA       GLY   1 -19.381  -0.251 -12.187
    5   2HA   GLY   1          1HA       GLY   1 -18.848  -0.226 -10.510
    6    H    SER   2           H        SER   2 -16.992  -1.044 -12.152
    7    HA   SER   2           HA       SER   2 -17.057  -3.840 -12.739
    8   1HB   SER   2          2HB       SER   2 -14.494  -2.313 -12.511
    9   2HB   SER   2          1HB       SER   2 -14.989  -3.503 -13.718
   10    HG   SER   2           HG       SER   2 -16.484  -1.893 -14.503
   11    H    LEU   3           H        LEU   3 -15.726  -5.473 -11.771
   12    HA   LEU   3           HA       LEU   3 -15.787  -5.341  -8.916
   13   1HB   LEU   3          2HB       LEU   3 -14.984  -7.429 -10.912
   14   2HB   LEU   3          1HB       LEU   3 -14.618  -7.650  -9.218
   15    HG   LEU   3           HG       LEU   3 -16.811  -8.636 -10.326
   16   1HD1  LEU   3          1HD1      LEU   3 -15.891  -8.236  -7.764
   17   2HD1  LEU   3          2HD1      LEU   3 -17.529  -7.581  -7.730
   18   3HD1  LEU   3          3HD1      LEU   3 -17.255  -9.245  -8.245
   19   1HD2  LEU   3          1HD2      LEU   3 -17.479  -6.172 -10.860
   20   2HD2  LEU   3          2HD2      LEU   3 -18.690  -7.328 -10.312
   21   3HD2  LEU   3          3HD2      LEU   3 -18.008  -6.164  -9.176
   22    H    LEU   4           H        LEU   4 -13.822  -6.218  -7.671
   23    HA   LEU   4           HA       LEU   4 -11.340  -5.063  -8.686
   24   1HB   LEU   4          2HB       LEU   4 -11.119  -3.556  -7.118
   25   2HB   LEU   4          1HB       LEU   4 -12.862  -3.686  -7.019
   26    HG   LEU   4           HG       LEU   4 -11.298  -5.506  -5.355
   27   1HD1  LEU   4          1HD1      LEU   4 -10.427  -2.959  -5.531
   28   2HD1  LEU   4          2HD1      LEU   4 -11.608  -2.811  -4.225
   29   3HD1  LEU   4          3HD1      LEU   4 -10.274  -3.957  -4.082
   30   1HD2  LEU   4          1HD2      LEU   4 -13.041  -5.009  -3.737
   31   2HD2  LEU   4          2HD2      LEU   4 -13.683  -3.746  -4.791
   32   3HD2  LEU   4          3HD2      LEU   4 -13.755  -5.434  -5.293
   33    H    THR   5           H        THR   5  -9.545  -6.048  -8.191
   34    HA   THR   5           HA       THR   5  -9.692  -8.460  -6.504
   35    HB   THR   5           HB       THR   5  -7.883  -9.103  -8.496
   36    HG1  THR   5           1HG      THR   5 -10.173  -8.128  -9.858
   37   1HG2  THR   5          1HG2      THR   5 -10.593  -9.877  -7.694
   38   2HG2  THR   5          2HG2      THR   5  -9.191 -10.881  -8.070
   39   3HG2  THR   5          3HG2      THR   5 -10.203 -10.255  -9.373
   40    H    CYS   6           H        CYS   6  -7.695  -9.160  -5.600
   41    HA   CYS   6           HA       CYS   6  -5.772  -7.004  -5.255
   42   1HB   CYS   6          2HB       CYS   6  -6.041  -7.760  -3.145
   43   2HB   CYS   6          1HB       CYS   6  -6.681  -9.309  -3.679
   44    H    GLY   7           H        GLY   7  -3.666  -7.136  -5.884
   45   1HA   GLY   7          1HA       GLY   7  -3.121  -8.775  -8.129
   46   2HA   GLY   7          2HA       GLY   7  -1.980  -7.698  -7.338
   47    H    GLY   8           H        GLY   8  -2.787  -9.407  -4.808
   48   1HA   GLY   8          1HA       GLY   8  -0.617 -11.336  -5.245
   49   2HA   GLY   8          2HA       GLY   8  -1.263 -10.845  -3.687
   50    H    CYS   9           H        CYS   9  -4.005 -11.197  -4.305
   51    HA   CYS   9           HA       CYS   9  -4.098 -14.124  -4.169
   52   1HB   CYS   9          2HB       CYS   9  -6.232 -12.097  -3.509
   53   2HB   CYS   9          1HB       CYS   9  -6.306 -13.823  -3.194
   54    H    GLN  10           H        GLN  10  -6.135 -11.539  -5.454
   55    HA   GLN  10           HA       GLN  10  -7.293 -11.272  -7.381
   56   1HB   GLN  10          2HB       GLN  10  -5.476 -13.457  -8.118
   57   2HB   GLN  10          1HB       GLN  10  -6.973 -13.406  -9.037
   58   1HG   GLN  10          2HG       GLN  10  -5.668 -10.809  -8.749
   59   2HG   GLN  10          1HG       GLN  10  -4.709 -12.006  -9.618
   60   1HE2  GLN  10          1HE2      GLN  10  -6.858 -13.428 -10.782
   61   2HE2  GLN  10          2HE2      GLN  10  -7.571 -12.402 -11.990
   62    H    GLN  11           H        GLN  11  -8.156 -12.808  -4.990
   63    HA   GLN  11           HA       GLN  11 -10.110 -14.702  -6.023
   64   1HB   GLN  11          2HB       GLN  11 -10.606 -15.211  -3.775
   65   2HB   GLN  11          1HB       GLN  11  -8.873 -14.922  -3.781
   66   1HG   GLN  11          2HG       GLN  11 -10.771 -12.703  -3.123
   67   2HG   GLN  11          1HG       GLN  11 -10.313 -13.881  -1.897
   68   1HE2  GLN  11          1HE2      GLN  11  -8.411 -13.810  -0.961
   69   2HE2  GLN  11          2HE2      GLN  11  -7.177 -12.648  -1.331
   70    H    ASN  12           H        ASN  12  -9.847 -11.434  -5.675
   71    HA   ASN  12           HA       ASN  12 -11.343  -9.736  -6.132
   72   1HB   ASN  12          2HB       ASN  12 -13.025 -11.628  -6.865
   73   2HB   ASN  12          1HB       ASN  12 -13.729 -11.331  -5.279
   74   1HD2  ASN  12          1HD2      ASN  12 -14.928  -9.530  -4.948
   75   2HD2  ASN  12          2HD2      ASN  12 -15.259  -8.350  -6.178
   76    H    ILE  13           H        ILE  13 -11.386  -8.191  -4.691
   77    HA   ILE  13           HA       ILE  13 -11.101  -8.857  -1.915
   78    HB   ILE  13           HB       ILE  13 -11.291  -6.100  -3.097
   79   1HG1  ILE  13          2HG1      ILE  13  -8.656  -7.376  -2.574
   80   2HG1  ILE  13          1HG1      ILE  13  -9.527  -7.890  -4.014
   81   1HG2  ILE  13          1HG2      ILE  13 -10.914  -7.086  -0.458
   82   2HG2  ILE  13          2HG2      ILE  13  -9.423  -6.294  -0.977
   83   3HG2  ILE  13          3HG2      ILE  13 -10.955  -5.415  -1.019
   84   1HD1  ILE  13          1HD1      ILE  13  -8.892  -5.020  -3.387
   85   2HD1  ILE  13          2HD1      ILE  13  -7.865  -6.070  -4.366
   86   3HD1  ILE  13          3HD1      ILE  13  -9.505  -5.678  -4.914
   87    H    GLY  14           H        GLY  14 -12.709  -9.118  -0.550
   88   1HA   GLY  14          1HA       GLY  14 -15.228  -7.657  -1.067
   89   2HA   GLY  14          2HA       GLY  14 -15.181  -9.337  -0.544
   90    H    ASP  15           H        ASP  15 -12.737  -7.668   0.985
   91    HA   ASP  15           HA       ASP  15 -14.067  -7.831   3.510
   92   1HB   ASP  15          2HB       ASP  15 -11.386  -6.694   2.722
   93   2HB   ASP  15          1HB       ASP  15 -11.991  -6.653   4.370
   94    H    ARG  16           H        ARG  16 -13.460  -5.739   4.984
   95    HA   ARG  16           HA       ARG  16 -15.280  -3.722   3.966
   96   1HB   ARG  16          2HB       ARG  16 -14.926  -2.717   6.286
   97   2HB   ARG  16          1HB       ARG  16 -15.730  -4.275   6.204
   98   1HG   ARG  16          2HG       ARG  16 -14.254  -5.057   7.650
   99   2HG   ARG  16          1HG       ARG  16 -12.993  -4.826   6.438
  100   1HD   ARG  16          2HD       ARG  16 -12.919  -2.399   7.254
  101   2HD   ARG  16          1HD       ARG  16 -13.845  -2.973   8.640
  102    HE   ARG  16           HE       ARG  16 -11.695  -4.675   8.462
  103   1HH1  ARG  16          2HH1      ARG  16 -12.130  -1.210   8.790
  104   2HH1  ARG  16          1HH1      ARG  16 -10.695  -0.995   9.751
  105   1HH2  ARG  16          2HH2      ARG  16  -9.779  -4.387   9.707
  106   2HH2  ARG  16          1HH2      ARG  16  -9.342  -2.784  10.238
  107    H    TYR  17           H        TYR  17 -11.879  -4.106   4.509
  108    HA   TYR  17           HA       TYR  17 -11.416  -1.370   3.538
  109   1HB   TYR  17          2HB       TYR  17 -11.172  -2.058   6.199
  110   2HB   TYR  17          1HB       TYR  17  -9.535  -2.290   5.603
  111    HD1  TYR  17           1HD      TYR  17  -8.194  -0.504   6.176
  112    HD2  TYR  17           2HD      TYR  17 -12.192   0.257   4.946
  113    HE1  TYR  17           1HE      TYR  17  -7.799   1.913   6.405
  114    HE2  TYR  17           2HE      TYR  17 -11.810   2.675   5.165
  115    HH   TYR  17           HH       TYR  17 -10.427   4.264   5.924
  116    H    PHE  18           H        PHE  18  -9.392  -1.137   2.432
  117    HA   PHE  18           HA       PHE  18  -7.622  -3.397   2.198
  118   1HB   PHE  18          2HB       PHE  18  -8.002  -3.987  -0.046
  119   2HB   PHE  18          1HB       PHE  18  -9.605  -3.890   0.665
  120    HD1  PHE  18           1HD      PHE  18 -10.710  -1.447   0.431
  121    HD2  PHE  18           2HD      PHE  18  -7.699  -3.068  -2.101
  122    HE1  PHE  18           1HE      PHE  18 -11.400   0.080  -1.359
  123    HE2  PHE  18           2HE      PHE  18  -8.372  -1.524  -3.891
  124    HZ   PHE  18           HZ       PHE  18 -10.226   0.048  -3.520
  125    H    LEU  19           H        LEU  19  -6.169  -2.865   0.060
  126    HA   LEU  19           HA       LEU  19  -5.487  -0.008   0.158
  127   1HB   LEU  19          2HB       LEU  19  -3.710  -2.366   0.682
  128   2HB   LEU  19          1HB       LEU  19  -3.039  -0.902  -0.009
  129    HG   LEU  19           HG       LEU  19  -4.616  -0.814   2.543
  130   1HD1  LEU  19          1HD1      LEU  19  -2.750  -2.500   2.682
  131   2HD1  LEU  19          2HD1      LEU  19  -1.636  -1.162   2.390
  132   3HD1  LEU  19          3HD1      LEU  19  -2.661  -1.159   3.824
  133   1HD2  LEU  19          1HD2      LEU  19  -2.480   0.990   2.499
  134   2HD2  LEU  19          2HD2      LEU  19  -3.193   1.048   0.889
  135   3HD2  LEU  19          3HD2      LEU  19  -4.196   1.350   2.308
  136    H    LYS  20           H        LYS  20  -4.576   0.810  -1.733
  137    HA   LYS  20           HA       LYS  20  -3.821  -0.882  -3.910
  138   1HB   LYS  20          2HB       LYS  20  -5.764  -1.000  -5.031
  139   2HB   LYS  20          1HB       LYS  20  -6.569  -0.144  -3.729
  140   1HG   LYS  20          2HG       LYS  20  -5.114   1.488  -5.724
  141   2HG   LYS  20          1HG       LYS  20  -6.590   0.698  -6.250
  142   1HD   LYS  20          2HD       LYS  20  -6.394   2.447  -3.804
  143   2HD   LYS  20          1HD       LYS  20  -6.925   3.013  -5.390
  144   1HE   LYS  20          2HE       LYS  20  -8.235   0.722  -3.943
  145   2HE   LYS  20          1HE       LYS  20  -8.750   2.395  -3.748
  146   1HZ   LYS  20          1HZ       LYS  20  -9.601   0.637  -5.677
  147   2HZ   LYS  20          2HZ       LYS  20  -8.541   1.684  -6.503
  148   3HZ   LYS  20          3HZ       LYS  20  -9.861   2.316  -5.647
  149    H    ALA  21           H        ALA  21  -2.702   0.409  -5.586
  150    HA   ALA  21           HA       ALA  21  -2.737   3.203  -5.682
  151   1HB   ALA  21          1HB       ALA  21  -1.771   2.899  -3.348
  152   2HB   ALA  21          2HB       ALA  21  -0.309   2.324  -4.150
  153   3HB   ALA  21          3HB       ALA  21  -0.890   3.962  -4.447
  154    H    ILE  22           H        ILE  22  -0.544   0.432  -5.870
  155    HA   ILE  22           HA       ILE  22   1.395   1.424  -7.508
  156    HB   ILE  22           HB       ILE  22   0.296  -1.389  -7.642
  157   1HG1  ILE  22          2HG1      ILE  22   2.254  -0.056  -5.775
  158   2HG1  ILE  22          1HG1      ILE  22   0.811  -0.974  -5.366
  159   1HG2  ILE  22          1HG2      ILE  22   1.826  -1.706  -9.215
  160   2HG2  ILE  22          2HG2      ILE  22   2.451  -0.071  -9.013
  161   3HG2  ILE  22          3HG2      ILE  22   3.068  -1.381  -8.005
  162   1HD1  ILE  22          1HD1      ILE  22   3.538  -1.879  -5.862
  163   2HD1  ILE  22          2HD1      ILE  22   2.236  -2.632  -4.940
  164   3HD1  ILE  22          3HD1      ILE  22   2.306  -2.832  -6.693
  165    H    ASP  23           H        ASP  23  -1.467  -0.347  -8.603
  166    HA   ASP  23           HA       ASP  23  -2.118   1.126 -10.839
  167   1HB   ASP  23          2HB       ASP  23   0.123   0.512 -11.717
  168   2HB   ASP  23          1HB       ASP  23  -0.289  -1.190 -11.553
  169    H    GLN  24           H        GLN  24  -2.309  -1.397  -8.787
  170    HA   GLN  24           HA       GLN  24  -4.799  -2.292  -9.927
  171   1HB   GLN  24          2HB       GLN  24  -4.317  -4.632  -9.803
  172   2HB   GLN  24          1HB       GLN  24  -3.040  -3.895 -10.757
  173   1HG   GLN  24          2HG       GLN  24  -2.284  -3.927  -8.003
  174   2HG   GLN  24          1HG       GLN  24  -2.795  -5.538  -8.499
  175   1HE2  GLN  24          1HE2      GLN  24  -1.027  -2.893 -10.078
  176   2HE2  GLN  24          2HE2      GLN  24   0.331  -3.861 -10.564
  177    H    TYR  25           H        TYR  25  -5.903  -3.744  -8.242
  178    HA   TYR  25           HA       TYR  25  -5.646  -2.340  -5.717
  179   1HB   TYR  25          2HB       TYR  25  -7.667  -4.480  -6.339
  180   2HB   TYR  25          1HB       TYR  25  -7.783  -3.167  -5.170
  181    HD1  TYR  25           1HD      TYR  25  -7.281  -0.764  -6.524
  182    HD2  TYR  25           2HD      TYR  25  -9.177  -4.257  -8.036
  183    HE1  TYR  25           1HE      TYR  25  -8.467   0.606  -8.184
  184    HE2  TYR  25           2HE      TYR  25 -10.373  -2.894  -9.704
  185    HH   TYR  25           HH       TYR  25 -10.349  -0.819 -10.759
  186    H    TRP  26           H        TRP  26  -5.627  -3.460  -3.687
  187    HA   TRP  26           HA       TRP  26  -4.454  -6.151  -3.788
  188   1HB   TRP  26          2HB       TRP  26  -3.363  -3.850  -2.145
  189   2HB   TRP  26          1HB       TRP  26  -2.743  -5.496  -2.171
  190    HD1  TRP  26           HD       TRP  26  -2.754  -2.267  -4.203
  191    HE1  TRP  26           1HE      TRP  26  -0.941  -2.432  -6.017
  192    HE3  TRP  26           3HE      TRP  26  -1.487  -7.170  -3.606
  193    HZ2  TRP  26           2HZ      TRP  26   0.818  -4.398  -7.052
  194    HZ3  TRP  26           3HZ      TRP  26   0.269  -8.125  -5.039
  195    HH2  TRP  26           HH       TRP  26   1.399  -6.763  -6.727
  196    H    HIS  27           H        HIS  27  -3.897  -6.354  -1.135
  197    HA   HIS  27           HA       HIS  27  -6.481  -5.949   0.226
  198   1HB   HIS  27          2HB       HIS  27  -4.560  -8.249   0.299
  199   2HB   HIS  27          1HB       HIS  27  -5.405  -7.826   1.781
  200    HD2  HIS  27           2HD      HIS  27  -8.379  -7.622   1.142
  201    HE1  HIS  27           1HE      HIS  27  -7.950 -11.074  -1.299
  202    HE2  HIS  27           2HE      HIS  27  -9.569  -9.669   0.071
  203    H    GLU  28           H        GLU  28  -6.094  -5.656   2.656
  204    HA   GLU  28           HA       GLU  28  -4.305  -3.525   3.067
  205   1HB   GLU  28          2HB       GLU  28  -6.227  -5.071   4.648
  206   2HB   GLU  28          1HB       GLU  28  -4.878  -4.456   5.586
  207   1HG   GLU  28          2HG       GLU  28  -5.845  -2.393   3.867
  208   2HG   GLU  28          1HG       GLU  28  -7.191  -3.092   4.766
  209    H    ASP  29           H        ASP  29  -4.181  -6.904   4.196
  210    HA   ASP  29           HA       ASP  29  -1.484  -6.533   5.147
  211   1HB   ASP  29          2HB       ASP  29  -1.801  -8.484   6.338
  212   2HB   ASP  29          1HB       ASP  29  -3.430  -7.859   6.258
  213    H    CYS  30           H        CYS  30  -2.627  -6.980   2.196
  214    HA   CYS  30           HA       CYS  30  -0.834  -9.120   1.393
  215   1HB   CYS  30          2HB       CYS  30  -3.150  -7.739   0.184
  216   2HB   CYS  30          1HB       CYS  30  -1.915  -8.328  -0.927
  217    H    LEU  31           H        LEU  31  -1.252  -5.665   0.801
  218    HA   LEU  31           HA       LEU  31   1.055  -5.497  -0.886
  219   1HB   LEU  31          2HB       LEU  31  -1.068  -3.791  -0.195
  220   2HB   LEU  31          1HB       LEU  31   0.391  -2.983   0.350
  221    HG   LEU  31           HG       LEU  31  -0.277  -3.857  -2.456
  222   1HD1  LEU  31          1HD1      LEU  31   0.552  -1.121  -1.602
  223   2HD1  LEU  31          2HD1      LEU  31  -0.429  -1.625  -2.979
  224   3HD1  LEU  31          3HD1      LEU  31  -1.110  -1.656  -1.355
  225   1HD2  LEU  31          1HD2      LEU  31   2.336  -2.938  -1.286
  226   2HD2  LEU  31          2HD2      LEU  31   2.012  -4.375  -2.257
  227   3HD2  LEU  31          3HD2      LEU  31   1.954  -2.776  -3.000
  228    H    SER  32           H        SER  32   2.541  -6.623   0.451
  229    HA   SER  32           HA       SER  32   3.564  -5.070   2.723
  230   1HB   SER  32          2HB       SER  32   4.327  -7.922   2.173
  231   2HB   SER  32          1HB       SER  32   4.262  -7.062   3.713
  232    HG   SER  32           HG       SER  32   2.080  -7.242   3.747
  233    H    CYS  33           H        CYS  33   5.951  -5.235   3.043
  234    HA   CYS  33           HA       CYS  33   7.299  -4.394   0.688
  235   1HB   CYS  33          2HB       CYS  33   7.830  -4.546   3.574
  236   2HB   CYS  33          1HB       CYS  33   9.252  -4.728   2.562
  237    H    ASP  34           H        ASP  34   9.422  -5.262   0.076
  238    HA   ASP  34           HA       ASP  34   9.323  -8.102  -0.376
  239   1HB   ASP  34          2HB       ASP  34  10.260  -6.349  -1.983
  240   2HB   ASP  34          1HB       ASP  34  11.660  -6.274  -0.922
  241    H    LEU  35           H        LEU  35  11.429  -5.862   1.360
  242    HA   LEU  35           HA       LEU  35  12.765  -8.097   2.670
  243   1HB   LEU  35          2HB       LEU  35  13.996  -6.134   1.705
  244   2HB   LEU  35          1HB       LEU  35  13.312  -5.155   2.985
  245    HG   LEU  35           HG       LEU  35  14.395  -6.754   4.622
  246   1HD1  LEU  35          1HD1      LEU  35  16.298  -7.487   2.456
  247   2HD1  LEU  35          2HD1      LEU  35  15.905  -8.337   3.951
  248   3HD1  LEU  35          3HD1      LEU  35  14.791  -8.397   2.585
  249   1HD2  LEU  35          1HD2      LEU  35  16.772  -5.772   3.908
  250   2HD2  LEU  35          2HD2      LEU  35  15.741  -4.779   2.876
  251   3HD2  LEU  35          3HD2      LEU  35  15.504  -4.775   4.624
  252    H    CYS  36           H        CYS  36  11.403  -4.991   3.778
  253    HA   CYS  36           HA       CYS  36  11.297  -5.555   6.467
  254   1HB   CYS  36          2HB       CYS  36   9.195  -3.920   5.058
  255   2HB   CYS  36          1HB       CYS  36   9.840  -3.694   6.683
  256    H    GLY  37           H        GLY  37   8.519  -5.678   4.273
  257   1HA   GLY  37          1HA       GLY  37   6.861  -7.311   4.123
  258   2HA   GLY  37          2HA       GLY  37   7.588  -8.135   5.499
  259    H    CYS  38           H        CYS  38   7.431  -5.226   6.723
  260    HA   CYS  38           HA       CYS  38   4.990  -5.779   8.138
  261   1HB   CYS  38          2HB       CYS  38   6.384  -3.213   8.608
  262   2HB   CYS  38          1HB       CYS  38   5.826  -4.423   9.762
  263    HG   CYS  38           HG       CYS  38   8.002  -6.184   9.141
  264    H    ARG  39           H        ARG  39   5.998  -2.548   7.060
  265    HA   ARG  39           HA       ARG  39   3.503  -2.336   5.533
  266   1HB   ARG  39          2HB       ARG  39   4.181  -0.874   7.952
  267   2HB   ARG  39          1HB       ARG  39   3.877   0.207   6.599
  268   1HG   ARG  39          2HG       ARG  39   2.018  -1.849   7.765
  269   2HG   ARG  39          1HG       ARG  39   1.823  -0.095   7.744
  270   1HD   ARG  39          2HD       ARG  39   1.131  -0.060   5.585
  271   2HD   ARG  39          1HD       ARG  39   2.142  -1.430   5.126
  272    HE   ARG  39           HE       ARG  39   0.462  -2.902   5.881
  273   1HH1  ARG  39          2HH1      ARG  39  -0.468   0.473   6.179
  274   2HH1  ARG  39          1HH1      ARG  39  -2.163   0.103   6.318
  275   1HH2  ARG  39          2HH2      ARG  39  -1.744  -3.368   6.036
  276   2HH2  ARG  39          1HH2      ARG  39  -2.903  -2.081   6.215
  277    H    LEU  40           H        LEU  40   3.609  -0.048   4.335
  278    HA   LEU  40           HA       LEU  40   6.068  -0.259   2.806
  279   1HB   LEU  40          2HB       LEU  40   3.587   1.339   2.199
  280   2HB   LEU  40          1HB       LEU  40   4.924   1.041   1.107
  281    HG   LEU  40           HG       LEU  40   2.815  -0.865   2.040
  282   1HD1  LEU  40          1HD1      LEU  40   2.203   0.210   0.056
  283   2HD1  LEU  40          2HD1      LEU  40   3.837   0.118  -0.600
  284   3HD1  LEU  40          3HD1      LEU  40   2.856  -1.340  -0.469
  285   1HD2  LEU  40          1HD2      LEU  40   4.031  -2.726   1.157
  286   2HD2  LEU  40          2HD2      LEU  40   5.358  -1.677   0.651
  287   3HD2  LEU  40          3HD2      LEU  40   5.036  -1.928   2.367
  288    H    GLY  41           H        GLY  41   4.261   2.109   4.665
  289   1HA   GLY  41          1HA       GLY  41   6.029   3.648   5.818
  290   2HA   GLY  41          2HA       GLY  41   6.327   4.131   4.147
  291    H    GLU  42           H        GLU  42   3.749   4.013   3.176
  292    HA   GLU  42           HA       GLU  42   1.880   5.252   2.884
  293   1HB   GLU  42          2HB       GLU  42   1.961   4.752   5.835
  294   2HB   GLU  42          1HB       GLU  42   0.657   5.703   5.136
  295   1HG   GLU  42          2HG       GLU  42  -0.384   3.768   4.835
  296   2HG   GLU  42          1HG       GLU  42   0.743   3.504   3.505
  297    H    VAL  43           H        VAL  43   4.398   6.770   3.190
  298    HA   VAL  43           HA       VAL  43   3.134   9.353   3.685
  299    HB   VAL  43           HB       VAL  43   4.244   9.028   5.762
  300   1HG1  VAL  43          1HG1      VAL  43   6.821   8.670   5.708
  301   2HG1  VAL  43          2HG1      VAL  43   5.737   7.289   5.543
  302   3HG1  VAL  43          3HG1      VAL  43   6.503   7.986   4.114
  303   1HG2  VAL  43          1HG2      VAL  43   6.432  10.633   4.807
  304   2HG2  VAL  43          2HG2      VAL  43   4.918  11.106   4.038
  305   3HG2  VAL  43          3HG2      VAL  43   5.047  11.094   5.796
  306    H    GLY  44           H        GLY  44   3.112   9.977   1.608
  307   1HA   GLY  44          1HA       GLY  44   5.172  11.189   0.332
  308   2HA   GLY  44          2HA       GLY  44   5.362   9.503  -0.132
  309    H    ARG  45           H        ARG  45   4.954  11.218  -2.130
  310    HA   ARG  45           HA       ARG  45   2.087  10.976  -2.759
  311   1HB   ARG  45          2HB       ARG  45   2.150  13.007  -3.723
  312   2HB   ARG  45          1HB       ARG  45   3.630  13.217  -2.803
  313   1HG   ARG  45          2HG       ARG  45   4.196  11.924  -5.305
  314   2HG   ARG  45          1HG       ARG  45   3.285  13.411  -5.571
  315   1HD   ARG  45          2HD       ARG  45   5.935  13.050  -4.212
  316   2HD   ARG  45          1HD       ARG  45   5.540  14.052  -5.607
  317    HE   ARG  45           HE       ARG  45   4.050  15.213  -3.737
  318   1HH1  ARG  45          2HH1      ARG  45   7.368  14.104  -3.633
  319   2HH1  ARG  45          1HH1      ARG  45   7.872  15.297  -2.471
  320   1HH2  ARG  45          2HH2      ARG  45   4.696  16.787  -2.198
  321   2HH2  ARG  45          1HH2      ARG  45   6.344  16.803  -1.636
  322    H    ARG  46           H        ARG  46   4.775   9.279  -3.232
  323    HA   ARG  46           HA       ARG  46   3.897   8.357  -5.881
  324   1HB   ARG  46          2HB       ARG  46   6.783   8.479  -4.994
  325   2HB   ARG  46          1HB       ARG  46   6.184   7.960  -6.563
  326   1HG   ARG  46          2HG       ARG  46   5.148  10.492  -6.307
  327   2HG   ARG  46          1HG       ARG  46   6.743  10.626  -5.566
  328   1HD   ARG  46          2HD       ARG  46   7.240  11.059  -7.773
  329   2HD   ARG  46          1HD       ARG  46   7.518   9.320  -7.693
  330    HE   ARG  46           HE       ARG  46   5.618   8.955  -8.979
  331   1HH1  ARG  46          2HH1      ARG  46   6.054  12.370  -8.288
  332   2HH1  ARG  46          1HH1      ARG  46   4.812  12.877  -9.397
  333   1HH2  ARG  46          2HH2      ARG  46   4.035   9.618 -10.458
  334   2HH2  ARG  46          1HH2      ARG  46   3.671  11.308 -10.654
  335    H    LEU  47           H        LEU  47   4.865   6.146  -6.357
  336    HA   LEU  47           HA       LEU  47   5.354   4.505  -4.015
  337   1HB   LEU  47          2HB       LEU  47   2.847   4.424  -4.657
  338   2HB   LEU  47          1HB       LEU  47   3.379   3.544  -6.077
  339    HG   LEU  47           HG       LEU  47   4.109   2.602  -3.312
  340   1HD1  LEU  47          1HD1      LEU  47   1.599   2.942  -3.638
  341   2HD1  LEU  47          2HD1      LEU  47   1.702   1.624  -4.806
  342   3HD1  LEU  47          3HD1      LEU  47   2.151   1.348  -3.124
  343   1HD2  LEU  47          1HD2      LEU  47   3.629   0.980  -5.796
  344   2HD2  LEU  47          2HD2      LEU  47   5.199   1.697  -5.434
  345   3HD2  LEU  47          3HD2      LEU  47   4.491   0.518  -4.328
  346    H    TYR  48           H        TYR  48   7.128   3.425  -4.443
  347    HA   TYR  48           HA       TYR  48   7.716   2.773  -7.245
  348   1HB   TYR  48          2HB       TYR  48   9.510   4.086  -7.112
  349   2HB   TYR  48          1HB       TYR  48   9.073   4.517  -5.466
  350    HD1  TYR  48           1HD      TYR  48  11.077   2.246  -7.539
  351    HD2  TYR  48           2HD      TYR  48  10.301   3.667  -3.598
  352    HE1  TYR  48           1HE      TYR  48  13.134   1.156  -6.752
  353    HE2  TYR  48           2HE      TYR  48  12.353   2.565  -2.803
  354    HH   TYR  48           HH       TYR  48  13.825   0.709  -3.474
  355    H    TYR  49           H        TYR  49   8.738   0.867  -7.696
  356    HA   TYR  49           HA       TYR  49   9.556  -0.909  -5.550
  357   1HB   TYR  49          2HB       TYR  49   8.203  -2.782  -6.234
  358   2HB   TYR  49          1HB       TYR  49   7.139  -1.417  -5.888
  359    HD1  TYR  49           1HD      TYR  49   6.011  -0.232  -7.720
  360    HD2  TYR  49           2HD      TYR  49   8.338  -3.726  -8.438
  361    HE1  TYR  49           1HE      TYR  49   4.942  -0.482  -9.918
  362    HE2  TYR  49           2HE      TYR  49   7.275  -3.979 -10.644
  363    HH   TYR  49           HH       TYR  49   6.081  -2.190 -12.339
  364    H    LYS  50           H        LYS  50  10.843  -2.717  -6.406
  365    HA   LYS  50           HA       LYS  50  12.429  -1.757  -8.615
  366   1HB   LYS  50          2HB       LYS  50  12.999  -3.131  -6.284
  367   2HB   LYS  50          1HB       LYS  50  13.213  -4.348  -7.529
  368   1HG   LYS  50          2HG       LYS  50  15.306  -3.236  -7.069
  369   2HG   LYS  50          1HG       LYS  50  14.764  -2.866  -8.707
  370   1HD   LYS  50          2HD       LYS  50  14.015  -0.695  -8.042
  371   2HD   LYS  50          1HD       LYS  50  14.290  -1.064  -6.337
  372   1HE   LYS  50          2HE       LYS  50  16.450  -0.521  -6.476
  373   2HE   LYS  50          1HE       LYS  50  16.672  -1.467  -7.946
  374   1HZ   LYS  50          1HZ       LYS  50  15.766   1.344  -7.703
  375   2HZ   LYS  50          2HZ       LYS  50  15.572   0.450  -9.132
  376   3HZ   LYS  50          3HZ       LYS  50  17.128   0.748  -8.524
  377    H    LEU  51           H        LEU  51  13.329  -3.499 -10.109
  378    HA   LEU  51           HA       LEU  51  11.276  -4.251 -11.846
  379   1HB   LEU  51          2HB       LEU  51  13.250  -5.489 -13.023
  380   2HB   LEU  51          1HB       LEU  51  13.173  -3.744 -13.003
  381    HG   LEU  51           HG       LEU  51  15.436  -4.922 -12.582
  382   1HD1  LEU  51          1HD1      LEU  51  15.818  -2.765 -12.267
  383   2HD1  LEU  51          2HD1      LEU  51  14.274  -2.517 -11.452
  384   3HD1  LEU  51          3HD1      LEU  51  15.665  -3.109 -10.543
  385   1HD2  LEU  51          1HD2      LEU  51  15.281  -6.434 -10.906
  386   2HD2  LEU  51          2HD2      LEU  51  15.651  -5.018  -9.923
  387   3HD2  LEU  51          3HD2      LEU  51  13.980  -5.565 -10.085
  388    H    GLY  52           H        GLY  52  10.479  -5.568  -9.745
  389   1HA   GLY  52          1HA       GLY  52   9.558  -7.912 -10.248
  390   2HA   GLY  52          2HA       GLY  52  11.247  -8.392 -10.141
  391    H    ARG  53           H        ARG  53  10.913  -5.937  -8.030
  392    HA   ARG  53           HA       ARG  53  10.034  -7.674  -5.830
  393   1HB   ARG  53          2HB       ARG  53  12.393  -5.806  -5.622
  394   2HB   ARG  53          1HB       ARG  53  11.856  -6.988  -4.437
  395   1HG   ARG  53          2HG       ARG  53  12.324  -8.461  -6.748
  396   2HG   ARG  53          1HG       ARG  53  13.648  -7.297  -6.669
  397   1HD   ARG  53          2HD       ARG  53  14.590  -8.342  -4.933
  398   2HD   ARG  53          1HD       ARG  53  13.051  -8.496  -4.086
  399    HE   ARG  53           HE       ARG  53  13.751 -10.333  -6.284
  400   1HH1  ARG  53          2HH1      ARG  53  12.895  -9.772  -2.925
  401   2HH1  ARG  53          1HH1      ARG  53  12.694 -11.465  -2.568
  402   1HH2  ARG  53          2HH2      ARG  53  13.437 -12.551  -5.821
  403   2HH2  ARG  53          1HH2      ARG  53  12.974 -13.036  -4.215
  404    H    LYS  54           H        LYS  54   8.409  -6.754  -4.794
  405    HA   LYS  54           HA       LYS  54   7.916  -3.893  -5.076
  406   1HB   LYS  54          2HB       LYS  54   6.326  -5.723  -3.293
  407   2HB   LYS  54          1HB       LYS  54   5.798  -4.284  -4.151
  408   1HG   LYS  54          2HG       LYS  54   5.568  -5.405  -6.158
  409   2HG   LYS  54          1HG       LYS  54   6.664  -6.702  -5.674
  410   1HD   LYS  54          2HD       LYS  54   4.428  -6.580  -3.876
  411   2HD   LYS  54          1HD       LYS  54   3.857  -6.680  -5.543
  412   1HE   LYS  54          2HE       LYS  54   4.369  -8.839  -5.631
  413   2HE   LYS  54          1HE       LYS  54   6.043  -8.487  -5.188
  414   1HZ   LYS  54          1HZ       LYS  54   5.589  -8.780  -2.941
  415   2HZ   LYS  54          2HZ       LYS  54   4.700 -10.025  -3.677
  416   3HZ   LYS  54          3HZ       LYS  54   3.915  -8.622  -3.141
  417    H    LEU  55           H        LEU  55  10.069  -3.647  -4.010
  418    HA   LEU  55           HA       LEU  55   9.965  -3.795  -1.094
  419   1HB   LEU  55          2HB       LEU  55  12.257  -3.830  -1.101
  420   2HB   LEU  55          1HB       LEU  55  11.928  -4.597  -2.638
  421    HG   LEU  55           HG       LEU  55  12.756  -1.715  -2.237
  422   1HD1  LEU  55          1HD1      LEU  55  14.860  -2.386  -2.431
  423   2HD1  LEU  55          2HD1      LEU  55  14.282  -4.039  -2.220
  424   3HD1  LEU  55          3HD1      LEU  55  14.482  -3.376  -3.842
  425   1HD2  LEU  55          1HD2      LEU  55  11.298  -1.936  -4.168
  426   2HD2  LEU  55          2HD2      LEU  55  12.962  -1.651  -4.678
  427   3HD2  LEU  55          3HD2      LEU  55  12.274  -3.273  -4.773
  428    H    CYS  56           H        CYS  56  11.066  -1.812   0.005
  429    HA   CYS  56           HA       CYS  56   9.850   0.581  -1.187
  430   1HB   CYS  56          2HB       CYS  56   9.971   1.641   0.988
  431   2HB   CYS  56          1HB       CYS  56   9.124   0.106   1.122
  432    H    ARG  57           H        ARG  57  11.201   2.543  -0.099
  433    HA   ARG  57           HA       ARG  57  13.715   2.484  -1.521
  434   1HB   ARG  57          2HB       ARG  57  12.724   4.551  -1.744
  435   2HB   ARG  57          1HB       ARG  57  12.089   4.540  -0.104
  436   1HG   ARG  57          2HG       ARG  57  13.748   5.859   0.510
  437   2HG   ARG  57          1HG       ARG  57  14.885   4.558   0.147
  438   1HD   ARG  57          2HD       ARG  57  15.659   5.644  -1.618
  439   2HD   ARG  57          1HD       ARG  57  14.032   5.854  -2.264
  440    HE   ARG  57           HE       ARG  57  15.583   7.781  -0.771
  441   1HH1  ARG  57          2HH1      ARG  57  12.437   6.926  -2.058
  442   2HH1  ARG  57          1HH1      ARG  57  11.699   8.423  -1.564
  443   1HH2  ARG  57          2HH2      ARG  57  14.625   9.770  -0.196
  444   2HH2  ARG  57          1HH2      ARG  57  12.936  10.041  -0.508
  445    H    ARG  58           H        ARG  58  12.574   2.320   1.770
  446    HA   ARG  58           HA       ARG  58  15.109   2.850   2.969
  447   1HB   ARG  58          2HB       ARG  58  12.751   1.476   4.258
  448   2HB   ARG  58          1HB       ARG  58  14.059   2.324   5.064
  449   1HG   ARG  58          2HG       ARG  58  11.704   3.420   3.604
  450   2HG   ARG  58          1HG       ARG  58  12.339   3.839   5.193
  451   1HD   ARG  58          2HD       ARG  58  14.167   4.374   2.959
  452   2HD   ARG  58          1HD       ARG  58  12.682   5.325   2.939
  453    HE   ARG  58           HE       ARG  58  14.333   5.225   5.367
  454   1HH1  ARG  58          2HH1      ARG  58  12.856   7.029   2.739
  455   2HH1  ARG  58          1HH1      ARG  58  13.339   8.582   3.379
  456   1HH2  ARG  58          2HH2      ARG  58  14.886   7.259   6.239
  457   2HH2  ARG  58          1HH2      ARG  58  14.461   8.706   5.380
  458    H    ASP  59           H        ASP  59  13.237  -0.106   2.354
  459    HA   ASP  59           HA       ASP  59  15.375  -1.732   3.410
  460   1HB   ASP  59          2HB       ASP  59  14.003  -3.606   3.114
  461   2HB   ASP  59          1HB       ASP  59  12.905  -2.320   3.569
  462    H    TYR  60           H        TYR  60  14.866  -0.139   0.563
  463    HA   TYR  60           HA       TYR  60  16.342  -1.956  -1.143
  464   1HB   TYR  60          2HB       TYR  60  15.124  -0.699  -2.587
  465   2HB   TYR  60          1HB       TYR  60  14.952   0.623  -1.446
  466    HD1  TYR  60           1HD      TYR  60  16.517   2.479  -1.446
  467    HD2  TYR  60           2HD      TYR  60  16.969  -0.765  -4.177
  468    HE1  TYR  60           1HE      TYR  60  18.082   3.824  -2.774
  469    HE2  TYR  60           2HE      TYR  60  18.554   0.577  -5.501
  470    HH   TYR  60           HH       TYR  60  19.686   2.491  -5.648
  471    H    LEU  61           H        LEU  61  16.840   0.956   0.761
  472    HA   LEU  61           HA       LEU  61  19.574   1.320   0.087
  473   1HB   LEU  61          2HB       LEU  61  17.667   2.785   1.385
  474   2HB   LEU  61          1HB       LEU  61  18.662   2.252   2.725
  475    HG   LEU  61           HG       LEU  61  19.103   4.520   1.372
  476   1HD1  LEU  61          1HD1      LEU  61  21.460   2.934   2.299
  477   2HD1  LEU  61          2HD1      LEU  61  21.110   4.648   2.511
  478   3HD1  LEU  61          3HD1      LEU  61  20.212   3.444   3.439
  479   1HD2  LEU  61          1HD2      LEU  61  20.515   4.373  -0.403
  480   2HD2  LEU  61          2HD2      LEU  61  21.218   2.849   0.138
  481   3HD2  LEU  61          3HD2      LEU  61  19.630   2.865  -0.629
  482    H    ARG  62           H        ARG  62  17.989   0.132   3.021
  483    HA   ARG  62           HA       ARG  62  19.735  -2.076   3.268
  484   1HB   ARG  62          2HB       ARG  62  21.108  -0.087   4.151
  485   2HB   ARG  62          1HB       ARG  62  20.009  -0.088   5.518
  486   1HG   ARG  62          2HG       ARG  62  21.790  -1.363   6.275
  487   2HG   ARG  62          1HG       ARG  62  20.633  -2.583   5.738
  488   1HD   ARG  62          2HD       ARG  62  22.915  -3.091   5.000
  489   2HD   ARG  62          1HD       ARG  62  21.828  -2.821   3.637
  490    HE   ARG  62           HE       ARG  62  23.575  -0.663   4.625
  491   1HH1  ARG  62          2HH1      ARG  62  22.530  -2.811   2.063
  492   2HH1  ARG  62          1HH1      ARG  62  23.372  -1.946   0.814
  493   1HH2  ARG  62          2HH2      ARG  62  24.704   0.475   2.983
  494   2HH2  ARG  62          1HH2      ARG  62  24.624  -0.093   1.339
  495    H    LEU  63           H        LEU  63  18.645  -0.595   6.227
  496    HA   LEU  63           HA       LEU  63  16.351  -2.398   6.214
  497   1HB   LEU  63          2HB       LEU  63  16.413  -2.244   8.670
  498   2HB   LEU  63          1HB       LEU  63  17.845  -2.959   7.979
  499    HG   LEU  63           HG       LEU  63  18.707  -1.691   9.664
  500   1HD1  LEU  63          1HD1      LEU  63  20.232  -0.737   8.441
  501   2HD1  LEU  63          2HD1      LEU  63  19.087  -0.438   7.134
  502   3HD1  LEU  63          3HD1      LEU  63  19.230   0.714   8.462
  503   1HD2  LEU  63          1HD2      LEU  63  17.922   0.314  10.557
  504   2HD2  LEU  63          2HD2      LEU  63  16.968   0.650   9.114
  505   3HD2  LEU  63          3HD2      LEU  63  16.499  -0.660  10.195
  506    H    GLY  64           H        GLY  64  17.372   0.820   7.322
  507   1HA   GLY  64          1HA       GLY  64  14.598   1.727   6.833
  508   2HA   GLY  64          2HA       GLY  64  15.561   2.295   8.186
  509    H    GLY  65           H        GLY  65  17.478   1.875   5.532
  510   1HA   GLY  65          1HA       GLY  65  18.841   3.488   4.524
  511   2HA   GLY  65          2HA       GLY  65  17.355   3.613   3.620
  512    H    SER  66           H        SER  66  18.104   4.792   6.867
  513    HA   SER  66           HA       SER  66  16.949   7.337   6.309
  514   1HB   SER  66          2HB       SER  66  18.627   7.322   8.661
  515   2HB   SER  66          1HB       SER  66  16.870   7.446   8.547
  516    HG   SER  66           HG       SER  66  16.675   5.366   8.915
  517    H    GLY  67           H        GLY  67  20.256   6.185   6.813
  518   1HA   GLY  67          1HA       GLY  67  21.209   8.564   5.364
  519   2HA   GLY  67          2HA       GLY  67  21.917   8.160   6.922
  520    H    GLY  68           H        GLY  68  21.513   5.227   6.136
  521   1HA   GLY  68          1HA       GLY  68  22.614   3.606   4.875
  522   2HA   GLY  68          2HA       GLY  68  23.425   4.883   3.981
  523    H    HIS  69           H        HIS  69  25.033   6.158   5.322
  524    HA   HIS  69           HA       HIS  69  26.390   4.477   7.308
  525   1HB   HIS  69          2HB       HIS  69  27.288   4.585   4.732
  526   2HB   HIS  69          1HB       HIS  69  28.186   5.907   5.465
  527    HD2  HIS  69           2HD      HIS  69  27.475   2.548   7.351
  528    HE1  HIS  69           1HE      HIS  69  31.625   2.936   6.628
  529    HE2  HIS  69           2HE      HIS  69  29.811   1.441   7.574
  530    H    MET  70           H        MET  70  26.698   7.568   5.582
  531    HA   MET  70           HA       MET  70  27.793   8.882   7.884
  532   1HB   MET  70          2HB       MET  70  26.731  10.114   5.338
  533   2HB   MET  70          1HB       MET  70  27.762  10.899   6.525
  534   1HG   MET  70          2HG       MET  70  29.426   9.010   6.011
  535   2HG   MET  70          1HG       MET  70  28.445   8.745   4.570
  536   1HE   MET  70          1HE       MET  70  28.990  11.785   2.392
  537   2HE   MET  70          2HE       MET  70  28.801  10.031   2.376
  538   3HE   MET  70          3HE       MET  70  27.616  11.037   3.210
  539    H    GLY  71           H        GLY  71  24.924   9.780   5.976
  540   1HA   GLY  71          1HA       GLY  71  22.905   9.585   7.741
  541   2HA   GLY  71          2HA       GLY  71  23.750  11.012   8.325
  542    H    SER  72           H        SER  72  24.385  12.507   6.330
  543    HA   SER  72           HA       SER  72  21.949  12.788   4.689
  544   1HB   SER  72          2HB       SER  72  23.525  15.234   5.121
  545   2HB   SER  72          1HB       SER  72  21.781  14.984   5.218
  546    HG   SER  72           HG       SER  72  22.255  13.909   7.293
  547    H    GLY  73           H        GLY  73  23.423  11.253   3.437
  548   1HA   GLY  73          1HA       GLY  73  25.775  12.058   2.205
  549   2HA   GLY  73          2HA       GLY  73  24.661  10.865   1.555
  550    H    GLY  74           H        GLY  74  26.050  13.853   1.129
  551   1HA   GLY  74          1HA       GLY  74  24.676  14.290  -1.349
  552   2HA   GLY  74          2HA       GLY  74  24.283  15.492  -0.124
  553    H    ASP  75           H        ASP  75  25.569  17.212   0.016
  554    HA   ASP  75           HA       ASP  75  28.107  17.214  -1.422
  555   1HB   ASP  75          2HB       ASP  75  26.562  19.181  -1.516
  556   2HB   ASP  75          1HB       ASP  75  26.849  19.435   0.203
  557    H    VAL  76           H        VAL  76  29.435  15.890  -0.284
  558    HA   VAL  76           HA       VAL  76  30.250  16.815   2.384
  559    HB   VAL  76           HB       VAL  76  30.173  13.865   1.861
  560   1HG1  VAL  76          1HG1      VAL  76  30.368  15.675   4.196
  561   2HG1  VAL  76          2HG1      VAL  76  29.552  14.130   4.430
  562   3HG1  VAL  76          3HG1      VAL  76  31.217  14.169   3.852
  563   1HG2  VAL  76          1HG2      VAL  76  27.961  13.754   1.745
  564   2HG2  VAL  76          2HG2      VAL  76  27.880  14.446   3.365
  565   3HG2  VAL  76          3HG2      VAL  76  27.819  15.500   1.952
  566    H    MET  77           H        MET  77  32.408  15.952   2.999
  567    HA   MET  77           HA       MET  77  34.330  16.462   1.110
  568   1HB   MET  77          2HB       MET  77  34.387  15.013   3.724
  569   2HB   MET  77          1HB       MET  77  35.839  15.112   2.734
  570   1HG   MET  77          2HG       MET  77  35.098  17.676   2.700
  571   2HG   MET  77          1HG       MET  77  34.429  17.197   4.249
  572   1HE   MET  77          1HE       MET  77  36.706  17.277   6.629
  573   2HE   MET  77          2HE       MET  77  35.433  16.236   5.993
  574   3HE   MET  77          3HE       MET  77  37.089  15.637   6.106
  575    H    VAL  78           H        VAL  78  34.620  15.426  -0.739
  576    HA   VAL  78           HA       VAL  78  34.897  13.804  -2.303
  577    HB   VAL  78           HB       VAL  78  36.175  12.159  -0.125
  578   1HG1  VAL  78          1HG1      VAL  78  37.438  11.183  -1.820
  579   2HG1  VAL  78          2HG1      VAL  78  35.839  11.342  -2.547
  580   3HG1  VAL  78          3HG1      VAL  78  37.111  12.495  -2.953
  581   1HG2  VAL  78          1HG2      VAL  78  38.247  13.539  -1.162
  582   2HG2  VAL  78          2HG2      VAL  78  36.983  14.769  -1.229
  583   3HG2  VAL  78          3HG2      VAL  78  37.394  14.011   0.309
  584    H    VAL  79           H        VAL  79  32.570  13.449  -2.330
  585    HA   VAL  79           HA       VAL  79  31.730  10.907  -1.149
  586    HB   VAL  79           HB       VAL  79  29.488  11.796  -2.259
  587   1HG1  VAL  79          1HG1      VAL  79  29.960  11.273   0.138
  588   2HG1  VAL  79          2HG1      VAL  79  30.469  12.950   0.335
  589   3HG1  VAL  79          3HG1      VAL  79  28.806  12.580  -0.121
  590   1HG2  VAL  79          1HG2      VAL  79  29.374  13.948  -2.809
  591   2HG2  VAL  79          2HG2      VAL  79  30.244  14.447  -1.357
  592   3HG2  VAL  79          3HG2      VAL  79  31.137  13.932  -2.790
  593    H    GLY  80           H        GLY  80  32.612  12.450  -4.079
  594   1HA   GLY  80          1HA       GLY  80  32.946  11.468  -6.180
  595   2HA   GLY  80          2HA       GLY  80  32.129  10.016  -5.611
  596    H    GLU  81           H        GLU  81  30.353  12.578  -4.652
  597    HA   GLU  81           HA       GLU  81  28.240  13.211  -5.115
  598   1HB   GLU  81          2HB       GLU  81  29.964  13.996  -7.364
  599   2HB   GLU  81          1HB       GLU  81  28.235  14.064  -7.690
  600   1HG   GLU  81          2HG       GLU  81  28.507  16.146  -6.841
  601   2HG   GLU  81          1HG       GLU  81  28.215  15.272  -5.340
  602    HA   PRO  82           HA       PRO  82  26.838   9.449  -7.368
  603   1HB   PRO  82          2HB       PRO  82  26.031   7.960  -5.312
  604   2HB   PRO  82          1HB       PRO  82  27.750   8.115  -5.676
  605   1HG   PRO  82          2HG       PRO  82  26.142   9.445  -3.542
  606   2HG   PRO  82          1HG       PRO  82  27.800   8.823  -3.478
  607   1HD   PRO  82          2HD       PRO  82  27.039  11.491  -3.902
  608   2HD   PRO  82          1HD       PRO  82  28.652  10.806  -4.171
  609    H    THR  83           H        THR  83  24.554   8.511  -5.365
  610    HA   THR  83           HA       THR  83  22.478  10.103  -6.545
  611    HB   THR  83           HB       THR  83  21.435   8.521  -4.444
  612    HG1  THR  83           1HG      THR  83  22.415   6.532  -4.785
  613   1HG2  THR  83          1HG2      THR  83  21.465   7.328  -7.121
  614   2HG2  THR  83          2HG2      THR  83  20.918   9.006  -7.081
  615   3HG2  THR  83          3HG2      THR  83  20.100   7.788  -6.101
  616    H    LEU  84           H        LEU  84  23.238  12.158  -5.633
  617    HA   LEU  84           HA       LEU  84  23.290  12.554  -2.811
  618   1HB   LEU  84          2HB       LEU  84  22.945  14.793  -4.768
  619   2HB   LEU  84          1HB       LEU  84  23.860  14.763  -3.272
  620    HG   LEU  84           HG       LEU  84  24.952  12.849  -5.128
  621   1HD1  LEU  84          1HD1      LEU  84  23.842  14.768  -6.593
  622   2HD1  LEU  84          2HD1      LEU  84  25.349  15.585  -6.179
  623   3HD1  LEU  84          3HD1      LEU  84  25.388  14.030  -7.010
  624   1HD2  LEU  84          1HD2      LEU  84  26.939  14.468  -4.797
  625   2HD2  LEU  84          2HD2      LEU  84  25.892  15.240  -3.607
  626   3HD2  LEU  84          3HD2      LEU  84  26.341  13.547  -3.418
  627    H    MET  85           H        MET  85  21.405  12.081  -1.822
  628    HA   MET  85           HA       MET  85  19.090  13.745  -2.521
  629   1HB   MET  85          2HB       MET  85  19.241  11.096  -3.149
  630   2HB   MET  85          1HB       MET  85  18.463  11.034  -1.574
  631   1HG   MET  85          2HG       MET  85  16.836  12.753  -2.471
  632   2HG   MET  85          1HG       MET  85  17.515  12.413  -4.060
  633   1HE   MET  85          1HE       MET  85  13.986  11.004  -3.915
  634   2HE   MET  85          2HE       MET  85  14.196  11.215  -2.178
  635   3HE   MET  85          3HE       MET  85  14.761  12.459  -3.292
  636    H    GLY  86           H        GLY  86  21.139  13.817  -0.347
  637   1HA   GLY  86          1HA       GLY  86  21.144  14.435   1.862
  638   2HA   GLY  86          2HA       GLY  86  19.402  14.606   1.720
  639    H    GLY  87           H        GLY  87  21.692  11.875   1.692
  640   1HA   GLY  87          1HA       GLY  87  21.906  10.176   3.259
  641   2HA   GLY  87          2HA       GLY  87  20.544  10.851   4.138
  642    H    GLU  88           H        GLU  88  18.437  10.700   2.615
  643    HA   GLU  88           HA       GLU  88  18.080   7.852   2.295
  644   1HB   GLU  88          2HB       GLU  88  15.818   9.599   1.628
  645   2HB   GLU  88          1HB       GLU  88  15.891   8.207   2.700
  646   1HG   GLU  88          2HG       GLU  88  16.923   9.599   4.425
  647   2HG   GLU  88          1HG       GLU  88  16.826  10.985   3.347
  648    H    PHE  89           H        PHE  89  19.625   7.987   0.374
  649    HA   PHE  89           HA       PHE  89  18.580   9.110  -2.044
  650   1HB   PHE  89          2HB       PHE  89  20.502   7.103  -2.638
  651   2HB   PHE  89          1HB       PHE  89  20.636   8.849  -2.794
  652    HD1  PHE  89           1HD      PHE  89  21.501  10.181  -0.911
  653    HD2  PHE  89           2HD      PHE  89  21.595   5.936  -0.886
  654    HE1  PHE  89           1HE      PHE  89  23.197  10.236   0.876
  655    HE2  PHE  89           2HE      PHE  89  23.279   5.972   0.910
  656    HZ   PHE  89           HZ       PHE  89  24.081   8.127   1.793
  657    H    GLY  90           H        GLY  90  17.612   8.127  -3.707
  658   1HA   GLY  90          1HA       GLY  90  17.469   5.435  -4.246
  659   2HA   GLY  90          2HA       GLY  90  16.095   5.760  -3.200
  660    H    ASP  91           H        ASP  91  14.335   6.675  -3.990
  661    HA   ASP  91           HA       ASP  91  14.287   7.206  -6.864
  662   1HB   ASP  91          2HB       ASP  91  11.867   6.703  -6.682
  663   2HB   ASP  91          1HB       ASP  91  12.870   5.365  -6.139
  664    H    GLU  92           H        GLU  92  11.598   8.254  -4.969
  665    HA   GLU  92           HA       GLU  92  12.585  10.990  -4.808
  666   1HB   GLU  92          2HB       GLU  92  10.232  11.673  -5.740
  667   2HB   GLU  92          1HB       GLU  92  11.551  11.305  -6.843
  668   1HG   GLU  92          2HG       GLU  92  10.072   8.928  -6.181
  669   2HG   GLU  92          1HG       GLU  92   9.005  10.184  -6.804
  670    H    ASP  93           H        ASP  93   9.699   8.919  -4.251
  671    HA   ASP  93           HA       ASP  93   9.525  10.067  -1.557
  672   1HB   ASP  93          2HB       ASP  93   7.846  10.871  -3.631
  673   2HB   ASP  93          1HB       ASP  93   6.878   9.737  -2.693
  674    H    GLU  94           H        GLU  94  10.266   7.473  -2.734
  675    HA   GLU  94           HA       GLU  94   9.959   5.261  -2.547
  676   1HB   GLU  94          2HB       GLU  94   9.415   4.548  -0.117
  677   2HB   GLU  94          1HB       GLU  94  10.919   5.369  -0.484
  678   1HG   GLU  94          2HG       GLU  94   8.894   7.287   0.189
  679   2HG   GLU  94          1HG       GLU  94   9.010   6.052   1.442
  680    H    ARG  95           H        ARG  95   7.628   5.172  -0.067
  681    HA   ARG  95           HA       ARG  95   5.685   4.176  -2.034
  682   1HB   ARG  95          2HB       ARG  95   7.282   2.706  -0.300
  683   2HB   ARG  95          1HB       ARG  95   5.711   2.739   0.483
  684   1HG   ARG  95          2HG       ARG  95   5.006   1.142  -0.864
  685   2HG   ARG  95          1HG       ARG  95   5.287   2.190  -2.257
  686   1HD   ARG  95          2HD       ARG  95   6.644   0.428  -2.790
  687   2HD   ARG  95          1HD       ARG  95   7.778   1.448  -1.902
  688    HE   ARG  95           HE       ARG  95   7.486  -0.004   0.005
  689   1HH1  ARG  95          2HH1      ARG  95   6.195  -1.177  -3.018
  690   2HH1  ARG  95          1HH1      ARG  95   6.239  -2.841  -2.542
  691   1HH2  ARG  95          2HH2      ARG  95   7.565  -2.213   0.648
  692   2HH2  ARG  95          1HH2      ARG  95   7.035  -3.429  -0.480
  693    H    LEU  96           H        LEU  96   3.708   4.889  -1.839
  694    HA   LEU  96           HA       LEU  96   2.682   5.614   0.815
  695   1HB   LEU  96          2HB       LEU  96   1.825   7.560   0.079
  696   2HB   LEU  96          1HB       LEU  96   2.995   7.414  -1.220
  697    HG   LEU  96           HG       LEU  96   0.792   5.943  -2.087
  698   1HD1  LEU  96          1HD1      LEU  96  -1.133   7.192  -1.726
  699   2HD1  LEU  96          2HD1      LEU  96  -0.347   7.205  -0.146
  700   3HD1  LEU  96          3HD1      LEU  96  -0.230   8.615  -1.200
  701   1HD2  LEU  96          1HD2      LEU  96   1.926   7.096  -3.706
  702   2HD2  LEU  96          2HD2      LEU  96   0.498   8.117  -3.518
  703   3HD2  LEU  96          3HD2      LEU  96   2.018   8.576  -2.747
  704    H    ILE  97           H        ILE  97   0.300   5.210   0.962
  705    HA   ILE  97           HA       ILE  97  -0.910   3.694  -1.121
  706    HB   ILE  97           HB       ILE  97  -1.512   2.069   1.095
  707   1HG1  ILE  97          2HG1      ILE  97   1.429   1.837   0.586
  708   2HG1  ILE  97          1HG1      ILE  97   0.848   2.957   1.814
  709   1HG2  ILE  97          1HG2      ILE  97  -1.505   1.619  -1.394
  710   2HG2  ILE  97          2HG2      ILE  97   0.224   1.305  -1.227
  711   3HG2  ILE  97          3HG2      ILE  97  -0.939   0.313  -0.349
  712   1HD1  ILE  97          1HD1      ILE  97   0.311   1.314   3.238
  713   2HD1  ILE  97          2HD1      ILE  97  -0.277   0.252   1.958
  714   3HD1  ILE  97          3HD1      ILE  97   1.452   0.376   2.274
  715    H    THR  98           H        THR  98  -3.107   3.794  -1.008
  716    HA   THR  98           HA       THR  98  -4.157   5.400   1.196
  717    HB   THR  98           HB       THR  98  -4.487   5.521  -1.664
  718    HG1  THR  98           1HG      THR  98  -4.396   7.137   0.361
  719   1HG2  THR  98          1HG2      THR  98  -6.474   4.199  -1.393
  720   2HG2  THR  98          2HG2      THR  98  -6.925   5.872  -1.726
  721   3HG2  THR  98          3HG2      THR  98  -7.032   5.237  -0.083
  722    H    ARG  99           H        ARG  99  -5.392   4.399   2.626
  723    HA   ARG  99           HA       ARG  99  -6.244   1.667   2.076
  724   1HB   ARG  99          2HB       ARG  99  -6.963   2.818   4.684
  725   2HB   ARG  99          1HB       ARG  99  -6.167   1.300   4.307
  726   1HG   ARG  99          2HG       ARG  99  -4.338   3.372   3.726
  727   2HG   ARG  99          1HG       ARG  99  -5.045   3.709   5.305
  728   1HD   ARG  99          2HD       ARG  99  -3.513   1.288   4.411
  729   2HD   ARG  99          1HD       ARG  99  -3.161   2.379   5.749
  730    HE   ARG  99           HE       ARG  99  -4.934   0.110   5.766
  731   1HH1  ARG  99          2HH1      ARG  99  -3.958   3.049   7.408
  732   2HH1  ARG  99          1HH1      ARG  99  -4.891   2.700   8.833
  733   1HH2  ARG  99          2HH2      ARG  99  -6.123  -0.368   7.627
  734   2HH2  ARG  99          1HH2      ARG  99  -6.130   0.758   8.959
  735    H    LEU 100           H        LEU 100  -8.011   1.707   0.830
  736    HA   LEU 100           HA       LEU 100 -10.060   3.693   1.300
  737   1HB   LEU 100          2HB       LEU 100  -9.120   2.708  -0.961
  738   2HB   LEU 100          1HB       LEU 100 -10.397   1.533  -0.715
  739    HG   LEU 100           HG       LEU 100 -11.588   4.045  -0.330
  740   1HD1  LEU 100          1HD1      LEU 100  -9.378   4.744  -1.558
  741   2HD1  LEU 100          2HD1      LEU 100 -10.231   4.144  -2.981
  742   3HD1  LEU 100          3HD1      LEU 100 -10.927   5.450  -2.021
  743   1HD2  LEU 100          1HD2      LEU 100 -11.629   1.932  -2.445
  744   2HD2  LEU 100          2HD2      LEU 100 -12.881   2.387  -1.287
  745   3HD2  LEU 100          3HD2      LEU 100 -12.540   3.426  -2.670
  746    H    GLU 101           H        GLU 101 -12.306   3.080   1.187
  747    HA   GLU 101           HA       GLU 101 -12.865   0.770   2.911
  748   1HB   GLU 101          2HB       GLU 101 -15.188   2.370   2.352
  749   2HB   GLU 101          1HB       GLU 101 -14.404   2.063   3.896
  750   1HG   GLU 101          2HG       GLU 101 -14.174   4.307   3.841
  751   2HG   GLU 101          1HG       GLU 101 -12.711   3.876   2.963
  752    H    ASN 102           H        ASN 102 -13.241  -0.997   1.787
  753    HA   ASN 102           HA       ASN 102 -13.948  -1.015  -0.939
  754   1HB   ASN 102          2HB       ASN 102 -12.715  -2.820   0.365
  755   2HB   ASN 102          1HB       ASN 102 -14.295  -3.329   0.965
  756   1HD2  ASN 102          1HD2      ASN 102 -14.335  -5.285  -0.005
  757   2HD2  ASN 102          2HD2      ASN 102 -14.404  -5.508  -1.729
  758    H    THR 103           H        THR 103 -15.811  -1.492   2.000
  759    HA   THR 103           HA       THR 103 -18.270  -1.528   0.406
  760    HB   THR 103           HB       THR 103 -18.220  -3.428   1.845
  761    HG1  THR 103           1HG      THR 103 -20.213  -2.108   1.859
  762   1HG2  THR 103          1HG2      THR 103 -16.899  -1.623   3.692
  763   2HG2  THR 103          2HG2      THR 103 -16.852  -3.384   3.603
  764   3HG2  THR 103          3HG2      THR 103 -18.157  -2.578   4.475
  765    H    GLN 104           H        GLN 104 -19.091  -0.663   3.461
  766    HA   GLN 104           HA       GLN 104 -18.657   2.209   3.007
  767   1HB   GLN 104          2HB       GLN 104 -20.970   2.368   4.284
  768   2HB   GLN 104          1HB       GLN 104 -20.908   2.182   2.537
  769   1HG   GLN 104          2HG       GLN 104 -21.984   0.248   2.625
  770   2HG   GLN 104          1HG       GLN 104 -20.894  -0.380   3.858
  771   1HE2  GLN 104          1HE2      GLN 104 -21.359   1.321   5.938
  772   2HE2  GLN 104          2HE2      GLN 104 -22.998   1.148   6.486
  773    H    PHE 105           H        PHE 105 -16.819   1.590   4.407
  774    HA   PHE 105           HA       PHE 105 -17.383   2.117   7.169
  775   1HB   PHE 105          2HB       PHE 105 -17.835  -0.354   6.911
  776   2HB   PHE 105          1HB       PHE 105 -16.143  -0.558   6.468
  777    HD1  PHE 105           1HD      PHE 105 -17.191   1.851   9.033
  778    HD2  PHE 105           2HD      PHE 105 -15.691  -2.062   8.280
  779    HE1  PHE 105           1HE      PHE 105 -16.596   1.625  11.408
  780    HE2  PHE 105           2HE      PHE 105 -15.098  -2.295  10.655
  781    HZ   PHE 105           HZ       PHE 105 -15.550  -0.450  12.224
  782    H    ASP 106           H        ASP 106 -15.942   3.740   7.234
  783    HA   ASP 106           HA       ASP 106 -13.212   3.284   6.236
  784   1HB   ASP 106          2HB       ASP 106 -14.350   5.408   5.613
  785   2HB   ASP 106          1HB       ASP 106 -14.450   5.831   7.310
  786    H    ALA 107           H        ALA 107 -14.263   5.290   8.887
  787    HA   ALA 107           HA       ALA 107 -13.704   5.448  11.072
  788   1HB   ALA 107          1HB       ALA 107 -14.343   2.828  10.771
  789   2HB   ALA 107          2HB       ALA 107 -12.701   2.706  11.402
  790   3HB   ALA 107          3HB       ALA 107 -13.933   3.586  12.308
  791    H    ALA 108           H        ALA 108 -11.793   6.140   9.113
  792    HA   ALA 108           HA       ALA 108  -9.238   5.322  10.300
  793   1HB   ALA 108          1HB       ALA 108  -8.165   6.126   8.394
  794   2HB   ALA 108          2HB       ALA 108  -9.655   5.426   7.762
  795   3HB   ALA 108          3HB       ALA 108  -9.515   7.173   7.958
  796    H    ASN 109           H        ASN 109  -7.687   7.539   9.988
  797    HA   ASN 109           HA       ASN 109  -8.795   9.283  12.047
  798   1HB   ASN 109          2HB       ASN 109  -6.317   8.234  11.809
  799   2HB   ASN 109          1HB       ASN 109  -6.060   9.791  11.028
  800   1HD2  ASN 109          1HD2      ASN 109  -5.657  11.471  12.263
  801   2HD2  ASN 109          2HD2      ASN 109  -5.919  11.560  13.981
  802    H    GLY 110           H        GLY 110  -9.591   9.348   9.142
  803   1HA   GLY 110          1HA       GLY 110  -8.687  11.940   8.215
  804   2HA   GLY 110          2HA       GLY 110  -9.916  10.929   7.464
  805    H    ILE 111           H        ILE 111 -12.052  10.983   8.263
  806    HA   ILE 111           HA       ILE 111 -12.656  13.381   9.862
  807    HB   ILE 111           HB       ILE 111 -14.909  11.974   8.589
  808   1HG1  ILE 111          2HG1      ILE 111 -13.040  11.900   6.856
  809   2HG1  ILE 111          1HG1      ILE 111 -14.533  12.685   6.357
  810   1HG2  ILE 111          1HG2      ILE 111 -15.077  14.605   7.917
  811   2HG2  ILE 111          2HG2      ILE 111 -15.718  13.892   9.400
  812   3HG2  ILE 111          3HG2      ILE 111 -14.135  14.672   9.407
  813   1HD1  ILE 111          1HD1      ILE 111 -12.493  14.463   7.510
  814   2HD1  ILE 111          2HD1      ILE 111 -12.084  13.713   5.965
  815   3HD1  ILE 111          3HD1      ILE 111 -13.547  14.688   6.114
  816    H    ASP 112           H        ASP 112 -14.177  10.285   9.230
  817    HA   ASP 112           HA       ASP 112 -13.694   9.202  11.757
  818   1HB   ASP 112          2HB       ASP 112 -16.217   8.967  12.380
  819   2HB   ASP 112          1HB       ASP 112 -15.342  10.417  12.845
  820    H    ASP 113           H        ASP 113 -16.805   8.406  10.677
  821    HA   ASP 113           HA       ASP 113 -15.729   6.339   8.887
  822   1HB   ASP 113          2HB       ASP 113 -16.463   5.185  10.885
  823   2HB   ASP 113          1HB       ASP 113 -18.006   6.033  10.856
  824    H    GLU 114           H        GLU 114 -16.151   7.387   7.013
  825    HA   GLU 114           HA       GLU 114 -18.862   8.426   6.587
  826   1HB   GLU 114          2HB       GLU 114 -16.663   9.807   6.241
  827   2HB   GLU 114          1HB       GLU 114 -16.570   8.924   4.723
  828   1HG   GLU 114          2HG       GLU 114 -18.744   9.783   4.069
  829   2HG   GLU 114          1HG       GLU 114 -18.888  10.625   5.612
  Start of MODEL   14
    1   1H    GLY   1          1H        GLY   1 -21.604  -4.929  -7.909
    2   2H    GLY   1          2H        GLY   1 -20.661  -3.807  -7.056
    3   3H    GLY   1          3H        GLY   1 -22.201  -4.230  -6.483
    4   1HA   GLY   1          2HA       GLY   1 -20.425  -5.300  -5.211
    5   2HA   GLY   1          1HA       GLY   1 -21.505  -6.445  -5.996
    6    H    SER   2           H        SER   2 -19.301  -4.730  -8.026
    7    HA   SER   2           HA       SER   2 -18.050  -7.142  -8.867
    8   1HB   SER   2          2HB       SER   2 -16.586  -4.800  -9.661
    9   2HB   SER   2          1HB       SER   2 -17.591  -5.861 -10.649
   10    HG   SER   2           HG       SER   2 -18.218  -3.528 -10.424
   11    H    LEU   3           H        LEU   3 -16.383  -8.147  -7.955
   12    HA   LEU   3           HA       LEU   3 -15.023  -6.935  -5.730
   13   1HB   LEU   3          2HB       LEU   3 -14.418  -9.579  -7.042
   14   2HB   LEU   3          1HB       LEU   3 -13.917  -9.057  -5.448
   15    HG   LEU   3           HG       LEU   3 -16.837  -9.180  -6.009
   16   1HD1  LEU   3          1HD1      LEU   3 -15.582 -11.302  -6.861
   17   2HD1  LEU   3          2HD1      LEU   3 -15.432 -11.666  -5.141
   18   3HD1  LEU   3          3HD1      LEU   3 -17.027 -11.467  -5.866
   19   1HD2  LEU   3          1HD2      LEU   3 -15.506  -8.467  -3.843
   20   2HD2  LEU   3          2HD2      LEU   3 -17.028  -9.352  -3.742
   21   3HD2  LEU   3          3HD2      LEU   3 -15.495 -10.208  -3.563
   22    H    LEU   4           H        LEU   4 -12.633  -7.158  -5.545
   23    HA   LEU   4           HA       LEU   4 -11.305  -6.363  -8.055
   24   1HB   LEU   4          2HB       LEU   4 -10.581  -5.362  -5.305
   25   2HB   LEU   4          1HB       LEU   4  -9.978  -4.783  -6.851
   26    HG   LEU   4           HG       LEU   4 -12.736  -4.418  -7.007
   27   1HD1  LEU   4          1HD1      LEU   4 -11.835  -4.313  -4.234
   28   2HD1  LEU   4          2HD1      LEU   4 -12.625  -2.832  -4.777
   29   3HD1  LEU   4          3HD1      LEU   4 -13.469  -4.377  -4.898
   30   1HD2  LEU   4          1HD2      LEU   4 -11.010  -2.180  -6.102
   31   2HD2  LEU   4          2HD2      LEU   4 -10.560  -3.015  -7.590
   32   3HD2  LEU   4          3HD2      LEU   4 -12.149  -2.263  -7.444
   33    H    THR   5           H        THR   5  -8.901  -6.705  -7.951
   34    HA   THR   5           HA       THR   5  -8.257  -9.056  -6.294
   35    HB   THR   5           HB       THR   5  -6.653  -9.352  -8.508
   36    HG1  THR   5           1HG      THR   5  -9.280  -8.630  -9.403
   37   1HG2  THR   5          1HG2      THR   5  -7.487 -11.376  -8.097
   38   2HG2  THR   5          2HG2      THR   5  -8.914 -10.910  -9.023
   39   3HG2  THR   5          3HG2      THR   5  -8.887 -10.691  -7.273
   40    H    CYS   6           H        CYS   6  -6.399  -8.935  -5.210
   41    HA   CYS   6           HA       CYS   6  -4.845  -6.513  -5.402
   42   1HB   CYS   6          2HB       CYS   6  -4.713  -6.860  -3.201
   43   2HB   CYS   6          1HB       CYS   6  -5.505  -8.421  -3.380
   44    H    GLY   7           H        GLY   7  -2.614  -6.447  -5.815
   45   1HA   GLY   7          1HA       GLY   7  -1.764  -8.537  -7.660
   46   2HA   GLY   7          2HA       GLY   7  -1.015  -6.962  -7.453
   47    H    GLY   8           H        GLY   8  -1.525  -8.206  -4.436
   48   1HA   GLY   8          1HA       GLY   8   1.305  -8.904  -4.211
   49   2HA   GLY   8          2HA       GLY   8   0.204  -8.572  -2.883
   50    H    CYS   9           H        CYS   9  -1.842 -10.268  -3.300
   51    HA   CYS   9           HA       CYS   9  -0.530 -12.902  -3.215
   52   1HB   CYS   9          2HB       CYS   9  -2.117 -13.622  -1.580
   53   2HB   CYS   9          1HB       CYS   9  -1.479 -12.075  -1.042
   54    H    GLN  10           H        GLN  10  -3.028 -10.970  -4.568
   55    HA   GLN  10           HA       GLN  10  -4.471 -11.245  -6.278
   56   1HB   GLN  10          2HB       GLN  10  -2.164 -12.656  -6.969
   57   2HB   GLN  10          1HB       GLN  10  -3.490 -13.735  -7.378
   58   1HG   GLN  10          2HG       GLN  10  -3.885 -12.579  -9.216
   59   2HG   GLN  10          1HG       GLN  10  -4.171 -11.125  -8.262
   60   1HE2  GLN  10          1HE2      GLN  10  -3.159  -9.587  -9.378
   61   2HE2  GLN  10          2HE2      GLN  10  -1.478  -9.626  -9.840
   62    H    GLN  11           H        GLN  11  -5.008 -12.620  -3.693
   63    HA   GLN  11           HA       GLN  11  -6.546 -14.944  -4.527
   64   1HB   GLN  11          2HB       GLN  11  -6.726 -15.512  -2.269
   65   2HB   GLN  11          1HB       GLN  11  -5.130 -14.790  -2.385
   66   1HG   GLN  11          2HG       GLN  11  -5.651 -13.175  -0.949
   67   2HG   GLN  11          1HG       GLN  11  -7.181 -12.840  -1.755
   68   1HE2  GLN  11          1HE2      GLN  11  -5.635 -14.365   0.875
   69   2HE2  GLN  11          2HE2      GLN  11  -7.061 -15.003   1.632
   70    H    ASN  12           H        ASN  12  -7.149 -11.916  -4.958
   71    HA   ASN  12           HA       ASN  12  -9.028 -10.730  -5.426
   72   1HB   ASN  12          2HB       ASN  12 -10.162 -12.830  -6.006
   73   2HB   ASN  12          1HB       ASN  12 -10.549 -13.097  -4.310
   74   1HD2  ASN  12          1HD2      ASN  12 -12.270 -12.081  -3.410
   75   2HD2  ASN  12          2HD2      ASN  12 -13.358 -11.062  -4.304
   76    H    ILE  13           H        ILE  13  -9.901  -9.059  -4.370
   77    HA   ILE  13           HA       ILE  13  -9.587  -8.999  -1.484
   78    HB   ILE  13           HB       ILE  13 -10.518  -6.744  -3.230
   79   1HG1  ILE  13          2HG1      ILE  13  -7.667  -7.000  -2.388
   80   2HG1  ILE  13          1HG1      ILE  13  -8.215  -7.943  -3.767
   81   1HG2  ILE  13          1HG2      ILE  13  -8.855  -6.094  -0.959
   82   2HG2  ILE  13          2HG2      ILE  13 -10.462  -5.500  -1.384
   83   3HG2  ILE  13          3HG2      ILE  13 -10.288  -7.004  -0.477
   84   1HD1  ILE  13          1HD1      ILE  13  -7.173  -5.601  -4.126
   85   2HD1  ILE  13          2HD1      ILE  13  -8.592  -6.090  -5.058
   86   3HD1  ILE  13          3HD1      ILE  13  -8.778  -5.021  -3.667
   87    H    GLY  14           H        GLY  14 -11.193  -9.838  -0.359
   88   1HA   GLY  14          1HA       GLY  14 -13.965  -9.243  -1.200
   89   2HA   GLY  14          2HA       GLY  14 -13.481 -10.670  -0.285
   90    H    ASP  15           H        ASP  15 -11.921  -7.795   0.569
   91    HA   ASP  15           HA       ASP  15 -13.129  -7.783   3.178
   92   1HB   ASP  15          2HB       ASP  15 -11.126  -5.889   1.920
   93   2HB   ASP  15          1HB       ASP  15 -11.646  -5.823   3.599
   94    H    ARG  16           H        ARG  16 -13.678  -5.488   4.067
   95    HA   ARG  16           HA       ARG  16 -15.745  -4.392   2.309
   96   1HB   ARG  16          2HB       ARG  16 -16.752  -3.448   4.197
   97   2HB   ARG  16          1HB       ARG  16 -16.153  -4.994   4.778
   98   1HG   ARG  16          2HG       ARG  16 -14.310  -3.945   5.872
   99   2HG   ARG  16          1HG       ARG  16 -14.684  -2.391   5.128
  100   1HD   ARG  16          2HD       ARG  16 -16.391  -1.964   6.565
  101   2HD   ARG  16          1HD       ARG  16 -16.819  -3.669   6.736
  102    HE   ARG  16           HE       ARG  16 -14.293  -2.846   7.920
  103   1HH1  ARG  16          2HH1      ARG  16 -17.718  -3.392   8.441
  104   2HH1  ARG  16          1HH1      ARG  16 -17.535  -3.714  10.138
  105   1HH2  ARG  16          2HH2      ARG  16 -14.052  -3.260  10.140
  106   2HH2  ARG  16          1HH2      ARG  16 -15.440  -3.657  11.107
  107    H    TYR  17           H        TYR  17 -12.684  -3.615   3.764
  108    HA   TYR  17           HA       TYR  17 -12.610  -1.162   2.158
  109   1HB   TYR  17          2HB       TYR  17 -12.809  -1.055   4.909
  110   2HB   TYR  17          1HB       TYR  17 -11.070  -0.992   4.658
  111    HD1  TYR  17           1HD      TYR  17 -14.197   0.517   3.337
  112    HD2  TYR  17           2HD      TYR  17 -10.104   1.100   4.333
  113    HE1  TYR  17           1HE      TYR  17 -14.404   2.888   2.764
  114    HE2  TYR  17           2HE      TYR  17 -10.305   3.483   3.757
  115    HH   TYR  17           HH       TYR  17 -13.357   4.796   2.476
  116    H    PHE  18           H        PHE  18 -10.632  -0.788   1.178
  117    HA   PHE  18           HA       PHE  18  -8.401  -2.526   1.848
  118   1HB   PHE  18          2HB       PHE  18  -8.225  -3.593  -0.252
  119   2HB   PHE  18          1HB       PHE  18  -9.912  -3.749   0.215
  120    HD1  PHE  18           1HD      PHE  18 -11.470  -1.779  -0.716
  121    HD2  PHE  18           2HD      PHE  18  -7.745  -2.993  -2.388
  122    HE1  PHE  18           1HE      PHE  18 -12.134  -0.831  -2.882
  123    HE2  PHE  18           2HE      PHE  18  -8.404  -2.040  -4.555
  124    HZ   PHE  18           HZ       PHE  18 -10.600  -0.961  -4.804
  125    H    LEU  19           H        LEU  19  -6.661  -2.128  -0.056
  126    HA   LEU  19           HA       LEU  19  -6.452   0.782  -0.366
  127   1HB   LEU  19          2HB       LEU  19  -4.455  -1.241   0.584
  128   2HB   LEU  19          1HB       LEU  19  -3.935   0.267  -0.131
  129    HG   LEU  19           HG       LEU  19  -5.812   0.218   2.211
  130   1HD1  LEU  19          1HD1      LEU  19  -4.002  -0.976   3.083
  131   2HD1  LEU  19          2HD1      LEU  19  -2.823  -0.032   2.171
  132   3HD1  LEU  19          3HD1      LEU  19  -3.671   0.694   3.539
  133   1HD2  LEU  19          1HD2      LEU  19  -4.834   2.239   0.562
  134   2HD2  LEU  19          2HD2      LEU  19  -5.670   2.431   2.103
  135   3HD2  LEU  19          3HD2      LEU  19  -3.907   2.373   2.055
  136    H    LYS  20           H        LYS  20  -5.473   1.516  -2.229
  137    HA   LYS  20           HA       LYS  20  -4.198  -0.214  -4.084
  138   1HB   LYS  20          2HB       LYS  20  -5.876  -0.809  -5.437
  139   2HB   LYS  20          1HB       LYS  20  -7.007  -0.116  -4.294
  140   1HG   LYS  20          2HG       LYS  20  -5.757   1.676  -6.308
  141   2HG   LYS  20          1HG       LYS  20  -7.002   0.552  -6.830
  142   1HD   LYS  20          2HD       LYS  20  -8.437   1.449  -4.953
  143   2HD   LYS  20          1HD       LYS  20  -7.236   2.728  -4.763
  144   1HE   LYS  20          2HE       LYS  20  -9.133   3.426  -6.162
  145   2HE   LYS  20          1HE       LYS  20  -7.603   3.462  -7.036
  146   1HZ   LYS  20          1HZ       LYS  20  -9.431   1.133  -7.198
  147   2HZ   LYS  20          2HZ       LYS  20  -8.172   1.567  -8.250
  148   3HZ   LYS  20          3HZ       LYS  20  -9.601   2.478  -8.217
  149    H    ALA  21           H        ALA  21  -2.985   1.029  -5.583
  150    HA   ALA  21           HA       ALA  21  -3.334   3.883  -5.750
  151   1HB   ALA  21          1HB       ALA  21  -1.677   4.632  -4.303
  152   2HB   ALA  21          2HB       ALA  21  -2.489   3.373  -3.377
  153   3HB   ALA  21          3HB       ALA  21  -0.944   3.036  -4.156
  154    H    ILE  22           H        ILE  22  -0.662   1.526  -5.677
  155    HA   ILE  22           HA       ILE  22   1.146   2.718  -7.243
  156    HB   ILE  22           HB       ILE  22   0.617  -0.194  -7.751
  157   1HG1  ILE  22          2HG1      ILE  22   1.557   1.122  -5.220
  158   2HG1  ILE  22          1HG1      ILE  22   0.391  -0.179  -5.420
  159   1HG2  ILE  22          1HG2      ILE  22   2.792  -0.323  -8.350
  160   2HG2  ILE  22          2HG2      ILE  22   2.543   1.391  -8.699
  161   3HG2  ILE  22          3HG2      ILE  22   3.300   0.904  -7.181
  162   1HD1  ILE  22          1HD1      ILE  22   3.298  -0.562  -6.054
  163   2HD1  ILE  22          2HD1      ILE  22   2.661  -0.756  -4.422
  164   3HD1  ILE  22          3HD1      ILE  22   2.064  -1.782  -5.727
  165    H    ASP  23           H        ASP  23  -1.420   0.669  -8.527
  166    HA   ASP  23           HA       ASP  23  -2.048   2.183 -10.749
  167   1HB   ASP  23          2HB       ASP  23   0.404   1.292 -11.291
  168   2HB   ASP  23          1HB       ASP  23  -0.484  -0.150 -11.775
  169    H    GLN  24           H        GLN  24  -2.127  -0.508  -8.837
  170    HA   GLN  24           HA       GLN  24  -4.513  -1.524 -10.168
  171   1HB   GLN  24          2HB       GLN  24  -3.677  -3.867  -9.427
  172   2HB   GLN  24          1HB       GLN  24  -3.015  -3.160 -10.894
  173   1HG   GLN  24          2HG       GLN  24  -1.559  -2.612  -8.387
  174   2HG   GLN  24          1HG       GLN  24  -1.514  -4.267  -8.991
  175   1HE2  GLN  24          1HE2      GLN  24   0.786  -2.734  -8.831
  176   2HE2  GLN  24          2HE2      GLN  24   1.343  -2.374 -10.435
  177    H    TYR  25           H        TYR  25  -5.081  -3.559  -8.376
  178    HA   TYR  25           HA       TYR  25  -5.621  -1.968  -5.965
  179   1HB   TYR  25          2HB       TYR  25  -6.986  -4.575  -6.510
  180   2HB   TYR  25          1HB       TYR  25  -7.572  -3.166  -5.626
  181    HD1  TYR  25           1HD      TYR  25  -7.308  -0.963  -7.490
  182    HD2  TYR  25           2HD      TYR  25  -8.437  -5.015  -8.228
  183    HE1  TYR  25           1HE      TYR  25  -8.554  -0.263  -9.500
  184    HE2  TYR  25           2HE      TYR  25  -9.665  -4.314 -10.235
  185    HH   TYR  25           HH       TYR  25  -9.353  -1.212 -11.606
  186    H    TRP  26           H        TRP  26  -5.462  -2.942  -3.895
  187    HA   TRP  26           HA       TRP  26  -3.745  -5.301  -3.727
  188   1HB   TRP  26          2HB       TRP  26  -3.164  -2.677  -2.325
  189   2HB   TRP  26          1HB       TRP  26  -2.243  -4.167  -2.153
  190    HD1  TRP  26           HD       TRP  26  -2.783  -1.238  -4.543
  191    HE1  TRP  26           1HE      TRP  26  -0.950  -1.295  -6.346
  192    HE3  TRP  26           3HE      TRP  26  -0.663  -5.742  -3.405
  193    HZ2  TRP  26           2HZ      TRP  26   1.120  -3.016  -7.179
  194    HZ3  TRP  26           3HZ      TRP  26   1.243  -6.520  -4.755
  195    HH2  TRP  26           HH       TRP  26   2.115  -5.182  -6.600
  196    H    HIS  27           H        HIS  27  -3.304  -5.424  -1.113
  197    HA   HIS  27           HA       HIS  27  -5.990  -5.427   0.097
  198   1HB   HIS  27          2HB       HIS  27  -3.743  -7.365   0.184
  199   2HB   HIS  27          1HB       HIS  27  -4.613  -7.108   1.690
  200    HD2  HIS  27           2HD      HIS  27  -7.618  -7.195   0.924
  201    HE1  HIS  27           1HE      HIS  27  -6.690 -10.654  -1.327
  202    HE2  HIS  27           2HE      HIS  27  -8.496  -9.460   0.000
  203    H    GLU  28           H        GLU  28  -5.898  -5.203   2.533
  204    HA   GLU  28           HA       GLU  28  -4.732  -2.770   3.240
  205   1HB   GLU  28          2HB       GLU  28  -6.179  -4.953   4.609
  206   2HB   GLU  28          1HB       GLU  28  -5.180  -3.945   5.642
  207   1HG   GLU  28          2HG       GLU  28  -6.766  -2.367   3.810
  208   2HG   GLU  28          1HG       GLU  28  -7.760  -3.421   4.817
  209    H    ASP  29           H        ASP  29  -3.738  -6.097   4.080
  210    HA   ASP  29           HA       ASP  29  -1.255  -5.002   5.185
  211   1HB   ASP  29          2HB       ASP  29  -2.980  -7.055   6.031
  212   2HB   ASP  29          1HB       ASP  29  -1.495  -7.850   5.524
  213    H    CYS  30           H        CYS  30  -2.292  -6.218   2.334
  214    HA   CYS  30           HA       CYS  30  -0.027  -7.867   1.685
  215   1HB   CYS  30          2HB       CYS  30  -2.460  -6.930   0.268
  216   2HB   CYS  30          1HB       CYS  30  -1.077  -7.387  -0.718
  217    H    LEU  31           H        LEU  31  -1.095  -4.595   0.913
  218    HA   LEU  31           HA       LEU  31   1.234  -3.970  -0.645
  219   1HB   LEU  31          2HB       LEU  31  -0.971  -2.862  -0.950
  220   2HB   LEU  31          1HB       LEU  31  -0.757  -2.086   0.607
  221    HG   LEU  31           HG       LEU  31   0.888  -0.654  -0.177
  222   1HD1  LEU  31          1HD1      LEU  31   1.699  -1.253  -2.704
  223   2HD1  LEU  31          2HD1      LEU  31   2.584  -1.648  -1.228
  224   3HD1  LEU  31          3HD1      LEU  31   1.537  -2.856  -1.982
  225   1HD2  LEU  31          1HD2      LEU  31   0.017   0.400  -2.134
  226   2HD2  LEU  31          2HD2      LEU  31  -0.783  -1.087  -2.640
  227   3HD2  LEU  31          3HD2      LEU  31  -1.337  -0.234  -1.198
  228    H    SER  32           H        SER  32   2.358  -5.007   1.408
  229    HA   SER  32           HA       SER  32   3.450  -2.742   2.926
  230   1HB   SER  32          2HB       SER  32   3.228  -5.515   4.090
  231   2HB   SER  32          1HB       SER  32   3.498  -3.986   4.931
  232    HG   SER  32           HG       SER  32   1.156  -5.196   4.218
  233    H    CYS  33           H        CYS  33   5.424  -4.268   4.244
  234    HA   CYS  33           HA       CYS  33   7.582  -4.282   2.570
  235   1HB   CYS  33          2HB       CYS  33   6.865  -5.443   5.174
  236   2HB   CYS  33          1HB       CYS  33   8.175  -6.269   4.356
  237    H    ASP  34           H        ASP  34   8.079  -5.471   0.831
  238    HA   ASP  34           HA       ASP  34   6.618  -7.926   0.301
  239   1HB   ASP  34          2HB       ASP  34   7.310  -6.059  -1.412
  240   2HB   ASP  34          1HB       ASP  34   8.838  -6.936  -1.450
  241    H    LEU  35           H        LEU  35  10.016  -6.960   0.457
  242    HA   LEU  35           HA       LEU  35  11.099  -9.549   0.368
  243   1HB   LEU  35          2HB       LEU  35  12.407  -7.553  -0.104
  244   2HB   LEU  35          1HB       LEU  35  12.190  -6.988   1.540
  245    HG   LEU  35           HG       LEU  35  13.353  -9.461   1.903
  246   1HD1  LEU  35          1HD1      LEU  35  14.581  -8.143  -0.512
  247   2HD1  LEU  35          2HD1      LEU  35  15.326  -9.441   0.421
  248   3HD1  LEU  35          3HD1      LEU  35  13.819  -9.730  -0.447
  249   1HD2  LEU  35          1HD2      LEU  35  15.471  -7.962   2.171
  250   2HD2  LEU  35          2HD2      LEU  35  14.337  -6.644   1.889
  251   3HD2  LEU  35          3HD2      LEU  35  14.091  -7.742   3.246
  252    H    CYS  36           H        CYS  36  10.832  -7.355   3.134
  253    HA   CYS  36           HA       CYS  36  11.409  -9.340   5.052
  254   1HB   CYS  36          2HB       CYS  36  10.015  -6.823   5.804
  255   2HB   CYS  36          1HB       CYS  36  11.432  -7.586   6.527
  256    H    GLY  37           H        GLY  37   8.403  -7.547   4.419
  257   1HA   GLY  37          1HA       GLY  37   6.279  -8.612   4.259
  258   2HA   GLY  37          2HA       GLY  37   6.908  -9.936   5.230
  259    H    CYS  38           H        CYS  38   7.463  -6.640   6.236
  260    HA   CYS  38           HA       CYS  38   5.758  -7.138   8.547
  261   1HB   CYS  38          2HB       CYS  38   7.028  -4.626   8.806
  262   2HB   CYS  38          1HB       CYS  38   7.407  -6.122   9.643
  263    HG   CYS  38           HG       CYS  38   8.855  -4.917   6.791
  264    H    ARG  39           H        ARG  39   6.225  -3.795   7.701
  265    HA   ARG  39           HA       ARG  39   3.822  -3.474   6.197
  266   1HB   ARG  39          2HB       ARG  39   3.590  -3.595   9.060
  267   2HB   ARG  39          1HB       ARG  39   3.178  -1.980   8.504
  268   1HG   ARG  39          2HG       ARG  39   1.694  -3.230   6.780
  269   2HG   ARG  39          1HG       ARG  39   1.849  -4.583   7.905
  270   1HD   ARG  39          2HD       ARG  39   1.216  -2.695   9.657
  271   2HD   ARG  39          1HD       ARG  39   0.477  -1.968   8.232
  272    HE   ARG  39           HE       ARG  39  -0.339  -4.634   8.338
  273   1HH1  ARG  39          2HH1      ARG  39  -0.684  -1.711  10.241
  274   2HH1  ARG  39          1HH1      ARG  39  -2.275  -2.109  10.817
  275   1HH2  ARG  39          2HH2      ARG  39  -2.416  -5.188   9.125
  276   2HH2  ARG  39          1HH2      ARG  39  -3.253  -4.094  10.196
  277    H    LEU  40           H        LEU  40   3.302  -1.204   5.787
  278    HA   LEU  40           HA       LEU  40   5.382   0.711   6.560
  279   1HB   LEU  40          2HB       LEU  40   4.453   1.105   3.814
  280   2HB   LEU  40          1HB       LEU  40   6.073   1.202   4.471
  281    HG   LEU  40           HG       LEU  40   5.031  -1.537   4.202
  282   1HD1  LEU  40          1HD1      LEU  40   4.038  -0.531   2.213
  283   2HD1  LEU  40          2HD1      LEU  40   5.617   0.101   1.744
  284   3HD1  LEU  40          3HD1      LEU  40   5.345  -1.640   1.797
  285   1HD2  LEU  40          1HD2      LEU  40   7.216  -2.051   3.904
  286   2HD2  LEU  40          2HD2      LEU  40   7.532  -0.620   2.922
  287   3HD2  LEU  40          3HD2      LEU  40   7.444  -0.481   4.678
  288    H    GLY  41           H        GLY  41   4.561   2.748   7.003
  289   1HA   GLY  41          1HA       GLY  41   2.328   3.925   5.869
  290   2HA   GLY  41          2HA       GLY  41   1.713   2.952   7.196
  291    H    GLU  42           H        GLU  42   4.368   5.295   6.649
  292    HA   GLU  42           HA       GLU  42   3.398   6.694   9.049
  293   1HB   GLU  42          2HB       GLU  42   6.235   6.337   8.101
  294   2HB   GLU  42          1HB       GLU  42   5.772   7.588   9.250
  295   1HG   GLU  42          2HG       GLU  42   5.472   6.127  10.935
  296   2HG   GLU  42          1HG       GLU  42   4.850   4.870   9.865
  297    H    VAL  43           H        VAL  43   5.807   7.708   6.640
  298    HA   VAL  43           HA       VAL  43   3.860   9.610   5.546
  299    HB   VAL  43           HB       VAL  43   6.003  11.216   5.474
  300   1HG1  VAL  43          1HG1      VAL  43   3.572  11.365   6.506
  301   2HG1  VAL  43          2HG1      VAL  43   4.480  11.286   8.018
  302   3HG1  VAL  43          3HG1      VAL  43   4.811  12.571   6.855
  303   1HG2  VAL  43          1HG2      VAL  43   6.932  11.144   7.872
  304   2HG2  VAL  43          2HG2      VAL  43   6.369   9.473   7.886
  305   3HG2  VAL  43          3HG2      VAL  43   7.564   9.990   6.699
  306    H    GLY  44           H        GLY  44   3.999   9.829   3.392
  307   1HA   GLY  44          1HA       GLY  44   6.444   9.247   1.945
  308   2HA   GLY  44          2HA       GLY  44   5.163   8.065   1.698
  309    H    ARG  45           H        ARG  45   5.506   8.950  -0.612
  310    HA   ARG  45           HA       ARG  45   3.472  11.019  -0.962
  311   1HB   ARG  45          2HB       ARG  45   5.311  11.540  -3.035
  312   2HB   ARG  45          1HB       ARG  45   4.864  12.580  -1.697
  313   1HG   ARG  45          2HG       ARG  45   6.773  12.181  -0.569
  314   2HG   ARG  45          1HG       ARG  45   6.898  10.516  -1.146
  315   1HD   ARG  45          2HD       ARG  45   8.659  12.052  -2.031
  316   2HD   ARG  45          1HD       ARG  45   7.705  11.234  -3.270
  317    HE   ARG  45           HE       ARG  45   7.308  14.041  -2.460
  318   1HH1  ARG  45          2HH1      ARG  45   7.153  11.477  -4.846
  319   2HH1  ARG  45          1HH1      ARG  45   6.851  12.565  -6.179
  320   1HH2  ARG  45          2HH2      ARG  45   6.870  15.470  -4.192
  321   2HH2  ARG  45          1HH2      ARG  45   6.650  14.828  -5.796
  322    H    ARG  46           H        ARG  46   5.653   9.186  -3.138
  323    HA   ARG  46           HA       ARG  46   3.227   8.027  -4.357
  324   1HB   ARG  46          2HB       ARG  46   5.850   8.432  -5.798
  325   2HB   ARG  46          1HB       ARG  46   4.300   7.972  -6.489
  326   1HG   ARG  46          2HG       ARG  46   3.926  10.433  -5.156
  327   2HG   ARG  46          1HG       ARG  46   5.394  10.571  -6.125
  328   1HD   ARG  46          2HD       ARG  46   2.593   9.964  -7.008
  329   2HD   ARG  46          1HD       ARG  46   3.684  11.227  -7.577
  330    HE   ARG  46           HE       ARG  46   5.036   9.306  -8.518
  331   1HH1  ARG  46          2HH1      ARG  46   1.545   9.209  -8.161
  332   2HH1  ARG  46          1HH1      ARG  46   1.328   8.002  -9.396
  333   1HH2  ARG  46          2HH2      ARG  46   4.753   7.716 -10.124
  334   2HH2  ARG  46          1HH2      ARG  46   3.152   7.138 -10.497
  335    H    LEU  47           H        LEU  47   4.305   5.925  -5.777
  336    HA   LEU  47           HA       LEU  47   5.535   4.400  -3.584
  337   1HB   LEU  47          2HB       LEU  47   3.079   3.978  -4.768
  338   2HB   LEU  47          1HB       LEU  47   4.107   2.786  -5.544
  339    HG   LEU  47           HG       LEU  47   4.191   3.005  -2.568
  340   1HD1  LEU  47          1HD1      LEU  47   1.764   2.959  -3.447
  341   2HD1  LEU  47          2HD1      LEU  47   2.127   1.286  -3.872
  342   3HD1  LEU  47          3HD1      LEU  47   2.250   1.815  -2.194
  343   1HD2  LEU  47          1HD2      LEU  47   4.102   0.460  -4.098
  344   2HD2  LEU  47          2HD2      LEU  47   5.559   1.448  -4.202
  345   3HD2  LEU  47          3HD2      LEU  47   4.993   0.873  -2.632
  346    H    TYR  48           H        TYR  48   6.951   2.766  -3.974
  347    HA   TYR  48           HA       TYR  48   8.274   2.723  -6.618
  348   1HB   TYR  48          2HB       TYR  48   9.370   2.469  -3.822
  349   2HB   TYR  48          1HB       TYR  48  10.234   1.799  -5.197
  350    HD1  TYR  48           1HD      TYR  48   9.568   4.094  -7.147
  351    HD2  TYR  48           2HD      TYR  48  10.968   3.997  -3.136
  352    HE1  TYR  48           1HE      TYR  48  10.687   6.260  -7.495
  353    HE2  TYR  48           2HE      TYR  48  12.086   6.164  -3.463
  354    HH   TYR  48           HH       TYR  48  12.360   7.634  -6.615
  355    H    TYR  49           H        TYR  49   8.799   0.685  -7.439
  356    HA   TYR  49           HA       TYR  49   8.698  -1.613  -5.767
  357   1HB   TYR  49          2HB       TYR  49   6.961  -2.865  -6.769
  358   2HB   TYR  49          1HB       TYR  49   6.275  -1.277  -6.430
  359    HD1  TYR  49           1HD      TYR  49   7.089  -3.710  -8.987
  360    HD2  TYR  49           2HD      TYR  49   5.876   0.311  -8.291
  361    HE1  TYR  49           1HE      TYR  49   6.299  -3.549 -11.310
  362    HE2  TYR  49           2HE      TYR  49   5.099   0.485 -10.622
  363    HH   TYR  49           HH       TYR  49   5.919  -1.701 -13.001
  364    H    LYS  50           H        LYS  50   9.618  -3.489  -6.807
  365    HA   LYS  50           HA       LYS  50  11.493  -2.620  -8.859
  366   1HB   LYS  50          2HB       LYS  50  11.586  -4.451  -6.615
  367   2HB   LYS  50          1HB       LYS  50  12.152  -5.228  -8.084
  368   1HG   LYS  50          2HG       LYS  50  13.658  -3.230  -8.419
  369   2HG   LYS  50          1HG       LYS  50  13.231  -2.758  -6.773
  370   1HD   LYS  50          2HD       LYS  50  14.367  -4.512  -5.828
  371   2HD   LYS  50          1HD       LYS  50  14.177  -5.540  -7.249
  372   1HE   LYS  50          2HE       LYS  50  15.877  -4.364  -8.427
  373   2HE   LYS  50          1HE       LYS  50  15.936  -3.095  -7.200
  374   1HZ   LYS  50          1HZ       LYS  50  16.439  -5.405  -5.826
  375   2HZ   LYS  50          2HZ       LYS  50  17.588  -4.255  -6.304
  376   3HZ   LYS  50          3HZ       LYS  50  17.293  -5.609  -7.277
  377    H    LEU  51           H        LEU  51  12.148  -4.380 -10.423
  378    HA   LEU  51           HA       LEU  51  10.642  -4.605 -12.492
  379   1HB   LEU  51          2HB       LEU  51  11.635  -7.267 -12.238
  380   2HB   LEU  51          1HB       LEU  51  12.234  -5.950 -13.229
  381    HG   LEU  51           HG       LEU  51  13.306  -5.207 -10.894
  382   1HD1  LEU  51          1HD1      LEU  51  13.420  -8.202 -10.698
  383   2HD1  LEU  51          2HD1      LEU  51  13.959  -6.998  -9.527
  384   3HD1  LEU  51          3HD1      LEU  51  12.234  -7.239  -9.813
  385   1HD2  LEU  51          1HD2      LEU  51  14.374  -7.227 -12.854
  386   2HD2  LEU  51          2HD2      LEU  51  14.602  -5.477 -12.871
  387   3HD2  LEU  51          3HD2      LEU  51  15.357  -6.454 -11.610
  388    H    GLY  52           H        GLY  52  10.450  -7.369 -10.234
  389   1HA   GLY  52          1HA       GLY  52   7.703  -7.778 -11.255
  390   2HA   GLY  52          2HA       GLY  52   8.812  -9.101 -10.943
  391    H    ARG  53           H        ARG  53   8.884  -6.535  -8.650
  392    HA   ARG  53           HA       ARG  53   6.834  -7.709  -6.987
  393   1HB   ARG  53          2HB       ARG  53   8.409  -8.074  -5.063
  394   2HB   ARG  53          1HB       ARG  53   8.567  -9.223  -6.383
  395   1HG   ARG  53          2HG       ARG  53  10.621  -8.427  -7.013
  396   2HG   ARG  53          1HG       ARG  53  10.329  -6.822  -6.336
  397   1HD   ARG  53          2HD       ARG  53  10.596  -7.647  -4.107
  398   2HD   ARG  53          1HD       ARG  53  10.663  -9.312  -4.679
  399    HE   ARG  53           HE       ARG  53  12.727  -7.658  -5.794
  400   1HH1  ARG  53          2HH1      ARG  53  11.803  -9.616  -3.037
  401   2HH1  ARG  53          1HH1      ARG  53  13.450  -9.967  -2.587
  402   1HH2  ARG  53          2HH2      ARG  53  14.874  -8.077  -5.178
  403   2HH2  ARG  53          1HH2      ARG  53  15.201  -9.048  -3.770
  404    H    LYS  54           H        LYS  54   5.981  -6.272  -5.579
  405    HA   LYS  54           HA       LYS  54   6.984  -3.560  -5.623
  406   1HB   LYS  54          2HB       LYS  54   5.056  -3.181  -3.991
  407   2HB   LYS  54          1HB       LYS  54   4.630  -3.671  -5.623
  408   1HG   LYS  54          2HG       LYS  54   3.546  -5.446  -4.868
  409   2HG   LYS  54          1HG       LYS  54   4.958  -5.981  -3.955
  410   1HD   LYS  54          2HD       LYS  54   4.256  -4.153  -2.264
  411   2HD   LYS  54          1HD       LYS  54   2.691  -4.235  -3.077
  412   1HE   LYS  54          2HE       LYS  54   2.377  -5.782  -1.422
  413   2HE   LYS  54          1HE       LYS  54   3.000  -6.816  -2.710
  414   1HZ   LYS  54          1HZ       LYS  54   4.710  -5.626  -0.595
  415   2HZ   LYS  54          2HZ       LYS  54   5.137  -6.820  -1.724
  416   3HZ   LYS  54          3HZ       LYS  54   4.025  -7.177  -0.491
  417    H    LEU  55           H        LEU  55   9.049  -4.482  -4.747
  418    HA   LEU  55           HA       LEU  55   9.115  -5.214  -1.980
  419   1HB   LEU  55          2HB       LEU  55  10.933  -6.226  -2.811
  420   2HB   LEU  55          1HB       LEU  55  10.939  -5.207  -4.236
  421    HG   LEU  55           HG       LEU  55  11.911  -3.819  -1.860
  422   1HD1  LEU  55          1HD1      LEU  55  13.594  -6.087  -2.890
  423   2HD1  LEU  55          2HD1      LEU  55  13.949  -4.988  -1.558
  424   3HD1  LEU  55          3HD1      LEU  55  12.650  -6.170  -1.403
  425   1HD2  LEU  55          1HD2      LEU  55  13.359  -2.858  -3.343
  426   2HD2  LEU  55          2HD2      LEU  55  13.505  -4.322  -4.322
  427   3HD2  LEU  55          3HD2      LEU  55  12.052  -3.325  -4.434
  428    H    CYS  56           H        CYS  56  10.273  -4.058  -0.349
  429    HA   CYS  56           HA       CYS  56   9.591  -1.331  -0.183
  430   1HB   CYS  56          2HB       CYS  56  11.659  -1.968   1.653
  431   2HB   CYS  56          1HB       CYS  56   9.923  -1.879   1.961
  432    H    ARG  57           H        ARG  57  10.766   0.444  -0.414
  433    HA   ARG  57           HA       ARG  57  13.306   0.220  -1.874
  434   1HB   ARG  57          2HB       ARG  57  11.515   1.805  -2.665
  435   2HB   ARG  57          1HB       ARG  57  11.744   2.712  -1.177
  436   1HG   ARG  57          2HG       ARG  57  13.015   3.871  -2.728
  437   2HG   ARG  57          1HG       ARG  57  14.203   2.877  -1.883
  438   1HD   ARG  57          2HD       ARG  57  13.815   3.035  -4.625
  439   2HD   ARG  57          1HD       ARG  57  14.772   1.835  -3.763
  440    HE   ARG  57           HE       ARG  57  12.302   0.772  -3.674
  441   1HH1  ARG  57          2HH1      ARG  57  14.159   2.150  -6.303
  442   2HH1  ARG  57          1HH1      ARG  57  13.510   1.055  -7.495
  443   1HH2  ARG  57          2HH2      ARG  57  11.436  -0.652  -5.253
  444   2HH2  ARG  57          1HH2      ARG  57  11.972  -0.520  -6.903
  445    H    ARG  58           H        ARG  58  11.876   0.925   1.146
  446    HA   ARG  58           HA       ARG  58  14.064   2.322   2.298
  447   1HB   ARG  58          2HB       ARG  58  11.815   0.764   3.586
  448   2HB   ARG  58          1HB       ARG  58  12.928   1.816   4.450
  449   1HG   ARG  58          2HG       ARG  58  10.828   2.578   2.447
  450   2HG   ARG  58          1HG       ARG  58  10.967   3.068   4.139
  451   1HD   ARG  58          2HD       ARG  58  12.425   4.698   3.673
  452   2HD   ARG  58          1HD       ARG  58  13.289   3.726   2.492
  453    HE   ARG  58           HE       ARG  58  10.736   5.051   1.854
  454   1HH1  ARG  58          2HH1      ARG  58  14.040   4.205   1.085
  455   2HH1  ARG  58          1HH1      ARG  58  14.110   5.183  -0.348
  456   1HH2  ARG  58          2HH2      ARG  58  10.782   6.323  -0.003
  457   2HH2  ARG  58          1HH2      ARG  58  12.213   6.353  -0.999
  458    H    ASP  59           H        ASP  59  13.040  -1.066   2.356
  459    HA   ASP  59           HA       ASP  59  15.366  -1.814   3.887
  460   1HB   ASP  59          2HB       ASP  59  13.199  -3.442   2.558
  461   2HB   ASP  59          1HB       ASP  59  14.510  -4.148   3.497
  462    H    TYR  60           H        TYR  60  14.583  -1.356   0.615
  463    HA   TYR  60           HA       TYR  60  16.643  -2.991  -0.530
  464   1HB   TYR  60          2HB       TYR  60  15.033  -2.585  -2.092
  465   2HB   TYR  60          1HB       TYR  60  14.626  -1.016  -1.425
  466    HD1  TYR  60           1HD      TYR  60  16.138  -2.749  -4.091
  467    HD2  TYR  60           2HD      TYR  60  16.313   0.905  -1.911
  468    HE1  TYR  60           1HE      TYR  60  17.192  -1.658  -6.025
  469    HE2  TYR  60           2HE      TYR  60  17.379   2.009  -3.848
  470    HH   TYR  60           HH       TYR  60  17.343   0.735  -6.921
  471    H    LEU  61           H        LEU  61  16.310   0.228   0.778
  472    HA   LEU  61           HA       LEU  61  18.960   1.070  -0.076
  473   1HB   LEU  61          2HB       LEU  61  16.611   2.368   0.584
  474   2HB   LEU  61          1HB       LEU  61  17.626   2.647   1.984
  475    HG   LEU  61           HG       LEU  61  19.374   3.313   0.076
  476   1HD1  LEU  61          1HD1      LEU  61  18.417   4.280  -1.808
  477   2HD1  LEU  61          2HD1      LEU  61  17.503   2.784  -1.612
  478   3HD1  LEU  61          3HD1      LEU  61  16.806   4.317  -1.090
  479   1HD2  LEU  61          1HD2      LEU  61  17.904   5.641   0.384
  480   2HD2  LEU  61          2HD2      LEU  61  17.511   4.687   1.818
  481   3HD2  LEU  61          3HD2      LEU  61  19.194   5.063   1.439
  482    H    ARG  62           H        ARG  62  17.282   0.783   3.009
  483    HA   ARG  62           HA       ARG  62  19.588  -0.434   4.284
  484   1HB   ARG  62          2HB       ARG  62  19.831   2.054   4.598
  485   2HB   ARG  62          1HB       ARG  62  18.286   2.051   5.434
  486   1HG   ARG  62          2HG       ARG  62  19.291   1.535   7.332
  487   2HG   ARG  62          1HG       ARG  62  19.973   0.076   6.608
  488   1HD   ARG  62          2HD       ARG  62  21.892   1.173   7.182
  489   2HD   ARG  62          1HD       ARG  62  21.657   1.786   5.546
  490    HE   ARG  62           HE       ARG  62  20.734   3.301   7.910
  491   1HH1  ARG  62          2HH1      ARG  62  22.471   3.099   4.873
  492   2HH1  ARG  62          1HH1      ARG  62  22.995   4.761   4.914
  493   1HH2  ARG  62          2HH2      ARG  62  21.400   5.496   7.963
  494   2HH2  ARG  62          1HH2      ARG  62  22.370   6.125   6.665
  495    H    LEU  63           H        LEU  63  17.157   1.094   6.204
  496    HA   LEU  63           HA       LEU  63  15.409  -1.233   5.959
  497   1HB   LEU  63          2HB       LEU  63  15.268  -1.664   8.160
  498   2HB   LEU  63          1HB       LEU  63  16.831  -0.876   8.228
  499    HG   LEU  63           HG       LEU  63  14.965   1.192   8.467
  500   1HD1  LEU  63          1HD1      LEU  63  13.548  -1.027   9.037
  501   2HD1  LEU  63          2HD1      LEU  63  14.220  -0.658  10.628
  502   3HD1  LEU  63          3HD1      LEU  63  13.256   0.548   9.775
  503   1HD2  LEU  63          1HD2      LEU  63  15.975   1.516  10.580
  504   2HD2  LEU  63          2HD2      LEU  63  16.417  -0.187  10.709
  505   3HD2  LEU  63          3HD2      LEU  63  17.219   0.846   9.524
  506    H    GLY  64           H        GLY  64  15.841   2.166   6.717
  507   1HA   GLY  64          1HA       GLY  64  13.088   2.696   5.815
  508   2HA   GLY  64          2HA       GLY  64  13.654   3.341   7.346
  509    H    GLY  65           H        GLY  65  15.329   3.073   4.251
  510   1HA   GLY  65          1HA       GLY  65  16.684   5.495   4.515
  511   2HA   GLY  65          2HA       GLY  65  16.559   4.558   3.040
  512    H    SER  66           H        SER  66  13.965   6.164   4.779
  513    HA   SER  66           HA       SER  66  13.366   7.758   2.388
  514   1HB   SER  66          2HB       SER  66  11.248   8.108   4.101
  515   2HB   SER  66          1HB       SER  66  11.324   6.902   2.814
  516    HG   SER  66           HG       SER  66  10.869   6.258   5.132
  517    H    GLY  67           H        GLY  67  15.478   8.671   3.753
  518   1HA   GLY  67          1HA       GLY  67  16.386  10.141   5.268
  519   2HA   GLY  67          2HA       GLY  67  15.380  11.268   4.384
  520    H    GLY  68           H        GLY  68  13.560  12.156   5.408
  521   1HA   GLY  68          1HA       GLY  68  12.455  11.023   7.748
  522   2HA   GLY  68          2HA       GLY  68  13.563  12.310   8.195
  523    H    HIS  69           H        HIS  69  12.532  14.142   8.612
  524    HA   HIS  69           HA       HIS  69  10.331  14.930   6.828
  525   1HB   HIS  69          2HB       HIS  69   9.608  13.882   9.080
  526   2HB   HIS  69          1HB       HIS  69  10.153  15.384   9.796
  527    HD2  HIS  69           2HD      HIS  69   7.866  14.774   6.628
  528    HE1  HIS  69           1HE      HIS  69   6.021  17.506   9.279
  529    HE2  HIS  69           2HE      HIS  69   5.876  16.400   7.002
  530    H    MET  70           H        MET  70  11.331  16.492   9.810
  531    HA   MET  70           HA       MET  70  11.782  18.938   8.306
  532   1HB   MET  70          2HB       MET  70  11.895  18.564  11.300
  533   2HB   MET  70          1HB       MET  70  11.703  20.073  10.420
  534   1HG   MET  70          2HG       MET  70   9.617  18.245   9.699
  535   2HG   MET  70          1HG       MET  70   9.702  18.412  11.452
  536   1HE   MET  70          1HE       MET  70   7.080  21.040  11.528
  537   2HE   MET  70          2HE       MET  70   7.164  19.311  11.190
  538   3HE   MET  70          3HE       MET  70   8.105  19.997  12.513
  539    H    GLY  71           H        GLY  71  13.538  16.899  10.615
  540   1HA   GLY  71          1HA       GLY  71  16.011  18.330   9.889
  541   2HA   GLY  71          2HA       GLY  71  15.772  17.403  11.363
  542    H    SER  72           H        SER  72  14.891  16.381   8.122
  543    HA   SER  72           HA       SER  72  17.185  14.850   7.569
  544   1HB   SER  72          2HB       SER  72  16.102  13.593   9.560
  545   2HB   SER  72          1HB       SER  72  14.868  13.108   8.397
  546    HG   SER  72           HG       SER  72  16.286  11.537   8.127
  547    H    GLY  73           H        GLY  73  16.907  13.523   5.641
  548   1HA   GLY  73          1HA       GLY  73  16.076  13.111   3.539
  549   2HA   GLY  73          2HA       GLY  73  14.476  13.384   4.210
  550    H    GLY  74           H        GLY  74  14.256  14.240   1.936
  551   1HA   GLY  74          1HA       GLY  74  15.045  17.090   1.895
  552   2HA   GLY  74          2HA       GLY  74  14.962  16.093   0.452
  553    H    ASP  75           H        ASP  75  12.613  14.845   0.548
  554    HA   ASP  75           HA       ASP  75  10.759  17.014   0.099
  555   1HB   ASP  75          2HB       ASP  75  11.031  14.779  -1.246
  556   2HB   ASP  75          1HB       ASP  75   9.967  14.123  -0.006
  557    H    VAL  76           H        VAL  76   8.562  17.034   0.983
  558    HA   VAL  76           HA       VAL  76   8.547  16.189   3.802
  559    HB   VAL  76           HB       VAL  76   6.403  17.959   2.732
  560   1HG1  VAL  76          1HG1      VAL  76   7.243  17.049   5.232
  561   2HG1  VAL  76          2HG1      VAL  76   7.682  18.758   5.186
  562   3HG1  VAL  76          3HG1      VAL  76   6.013  18.269   4.897
  563   1HG2  VAL  76          1HG2      VAL  76   7.779  19.539   1.983
  564   2HG2  VAL  76          2HG2      VAL  76   8.403  19.704   3.625
  565   3HG2  VAL  76          3HG2      VAL  76   9.193  18.614   2.486
  566    H    MET  77           H        MET  77   7.936  14.100   3.628
  567    HA   MET  77           HA       MET  77   5.901  13.199   1.858
  568   1HB   MET  77          2HB       MET  77   7.075  11.726   4.205
  569   2HB   MET  77          1HB       MET  77   6.339  11.032   2.767
  570   1HG   MET  77          2HG       MET  77   8.159  11.864   1.406
  571   2HG   MET  77          1HG       MET  77   8.874  12.642   2.811
  572   1HE   MET  77          1HE       MET  77  10.421  10.129   4.880
  573   2HE   MET  77          2HE       MET  77   9.292  11.484   4.899
  574   3HE   MET  77          3HE       MET  77   8.699   9.840   5.130
  575    H    VAL  78           H        VAL  78   3.952  11.997   2.541
  576    HA   VAL  78           HA       VAL  78   2.828  12.779   5.112
  577    HB   VAL  78           HB       VAL  78   0.694  13.373   3.523
  578   1HG1  VAL  78          1HG1      VAL  78   1.021  14.781   5.295
  579   2HG1  VAL  78          2HG1      VAL  78   2.731  15.016   4.936
  580   3HG1  VAL  78          3HG1      VAL  78   1.506  15.828   3.961
  581   1HG2  VAL  78          1HG2      VAL  78   3.091  13.757   1.922
  582   2HG2  VAL  78          2HG2      VAL  78   1.393  13.768   1.442
  583   3HG2  VAL  78          3HG2      VAL  78   2.137  15.232   2.088
  584    H    VAL  79           H        VAL  79   2.437  11.003   2.129
  585    HA   VAL  79           HA       VAL  79  -0.048   9.917   2.729
  586    HB   VAL  79           HB       VAL  79   1.929   8.631   0.856
  587   1HG1  VAL  79          1HG1      VAL  79  -0.710   8.003   1.570
  588   2HG1  VAL  79          2HG1      VAL  79  -0.796   8.747  -0.028
  589   3HG1  VAL  79          3HG1      VAL  79   0.233   7.339   0.234
  590   1HG2  VAL  79          1HG2      VAL  79   1.981  10.826   0.113
  591   2HG2  VAL  79          2HG2      VAL  79   0.654  10.145  -0.828
  592   3HG2  VAL  79          3HG2      VAL  79   0.312  11.135   0.590
  593    H    GLY  80           H        GLY  80   3.144   8.282   3.125
  594   1HA   GLY  80          1HA       GLY  80   2.855   7.036   5.411
  595   2HA   GLY  80          2HA       GLY  80   1.698   6.114   4.473
  596    H    GLU  81           H        GLU  81   5.027   6.756   5.101
  597    HA   GLU  81           HA       GLU  81   5.733   4.095   4.390
  598   1HB   GLU  81          2HB       GLU  81   7.028   4.362   2.534
  599   2HB   GLU  81          1HB       GLU  81   5.962   5.726   2.255
  600   1HG   GLU  81          2HG       GLU  81   7.708   7.132   3.462
  601   2HG   GLU  81          1HG       GLU  81   8.775   5.736   3.297
  602    HA   PRO  82           HA       PRO  82   8.413   4.548   7.801
  603   1HB   PRO  82          2HB       PRO  82  10.778   3.664   6.218
  604   2HB   PRO  82          1HB       PRO  82  10.107   2.995   7.711
  605   1HG   PRO  82          2HG       PRO  82   9.740   1.746   5.392
  606   2HG   PRO  82          1HG       PRO  82   8.435   1.832   6.591
  607   1HD   PRO  82          2HD       PRO  82   8.796   3.386   4.063
  608   2HD   PRO  82          1HD       PRO  82   7.311   2.732   4.781
  609    H    THR  83           H        THR  83  10.885   5.298   8.421
  610    HA   THR  83           HA       THR  83  12.101   7.300   6.857
  611    HB   THR  83           HB       THR  83   9.725   8.244   7.835
  612    HG1  THR  83           1HG      THR  83  11.374   9.157   6.294
  613   1HG2  THR  83          1HG2      THR  83  11.832   8.821   9.872
  614   2HG2  THR  83          2HG2      THR  83  10.125   8.438  10.100
  615   3HG2  THR  83          3HG2      THR  83  10.601  10.036   9.523
  616    H    LEU  84           H        LEU  84  13.809   8.476   8.031
  617    HA   LEU  84           HA       LEU  84  14.731   6.977  10.390
  618   1HB   LEU  84          2HB       LEU  84  16.155   8.537   8.252
  619   2HB   LEU  84          1HB       LEU  84  16.933   8.185   9.783
  620    HG   LEU  84           HG       LEU  84  15.792   5.807   8.570
  621   1HD1  LEU  84          1HD1      LEU  84  18.004   7.200   7.083
  622   2HD1  LEU  84          2HD1      LEU  84  17.286   5.632   6.709
  623   3HD1  LEU  84          3HD1      LEU  84  16.330   7.104   6.533
  624   1HD2  LEU  84          1HD2      LEU  84  17.970   4.910   9.085
  625   2HD2  LEU  84          2HD2      LEU  84  18.620   6.533   9.330
  626   3HD2  LEU  84          3HD2      LEU  84  17.415   5.887  10.444
  627    H    MET  85           H        MET  85  16.365   8.496  11.669
  628    HA   MET  85           HA       MET  85  14.828  10.843  12.499
  629   1HB   MET  85          2HB       MET  85  15.663   9.231  14.220
  630   2HB   MET  85          1HB       MET  85  17.308   9.648  13.758
  631   1HG   MET  85          2HG       MET  85  16.763  12.022  14.350
  632   2HG   MET  85          1HG       MET  85  15.248  11.427  15.024
  633   1HE   MET  85          1HE       MET  85  17.632  12.352  18.082
  634   2HE   MET  85          2HE       MET  85  17.953  13.020  16.479
  635   3HE   MET  85          3HE       MET  85  16.296  12.909  17.072
  636    H    GLY  86           H        GLY  86  17.958   9.885  11.192
  637   1HA   GLY  86          1HA       GLY  86  18.307  12.572  10.120
  638   2HA   GLY  86          2HA       GLY  86  19.535  12.033  11.259
  639    H    GLY  87           H        GLY  87  18.859  12.325   8.088
  640   1HA   GLY  87          1HA       GLY  87  21.024  11.291   6.916
  641   2HA   GLY  87          2HA       GLY  87  20.074   9.832   7.199
  642    H    GLU  88           H        GLU  88  20.588  12.470   5.125
  643    HA   GLU  88           HA       GLU  88  17.932  12.350   3.979
  644   1HB   GLU  88          2HB       GLU  88  20.082  13.910   2.657
  645   2HB   GLU  88          1HB       GLU  88  18.398  14.331   2.943
  646   1HG   GLU  88          2HG       GLU  88  19.067  15.607   4.605
  647   2HG   GLU  88          1HG       GLU  88  19.553  14.156   5.471
  648    H    PHE  89           H        PHE  89  17.400  11.593   1.953
  649    HA   PHE  89           HA       PHE  89  19.517  10.235   0.456
  650   1HB   PHE  89          2HB       PHE  89  16.797   9.132   1.187
  651   2HB   PHE  89          1HB       PHE  89  17.949   8.360   0.099
  652    HD1  PHE  89           1HD      PHE  89  16.967   8.855   3.499
  653    HD2  PHE  89           2HD      PHE  89  20.229   7.741   1.003
  654    HE1  PHE  89           1HE      PHE  89  18.126   7.894   5.444
  655    HE2  PHE  89           2HE      PHE  89  21.383   6.758   2.941
  656    HZ   PHE  89           HZ       PHE  89  20.328   6.847   5.166
  657    H    GLY  90           H        GLY  90  17.963   9.250  -1.629
  658   1HA   GLY  90          1HA       GLY  90  17.142  11.821  -2.827
  659   2HA   GLY  90          2HA       GLY  90  17.989  10.550  -3.690
  660    H    ASP  91           H        ASP  91  15.526   9.416  -1.622
  661    HA   ASP  91           HA       ASP  91  13.724   9.177  -3.931
  662   1HB   ASP  91          2HB       ASP  91  12.854   7.140  -2.542
  663   2HB   ASP  91          1HB       ASP  91  14.271   6.986  -3.560
  664    H    GLU  92           H        GLU  92  13.065   8.350  -0.587
  665    HA   GLU  92           HA       GLU  92  11.445   9.017   0.877
  666   1HB   GLU  92          2HB       GLU  92  11.957  11.537  -0.644
  667   2HB   GLU  92          1HB       GLU  92  10.675  11.483   0.556
  668   1HG   GLU  92          2HG       GLU  92  12.120  11.690   2.233
  669   2HG   GLU  92          1HG       GLU  92  13.127  10.388   1.609
  670    H    ASP  93           H        ASP  93  10.977   8.313  -2.101
  671    HA   ASP  93           HA       ASP  93   8.125   9.004  -2.306
  672   1HB   ASP  93          2HB       ASP  93   9.945   9.859  -3.963
  673   2HB   ASP  93          1HB       ASP  93   9.904   8.223  -4.609
  674    H    GLU  94           H        GLU  94   9.010   6.675  -0.881
  675    HA   GLU  94           HA       GLU  94   8.968   4.429  -2.628
  676   1HB   GLU  94          2HB       GLU  94  10.307   4.317  -0.641
  677   2HB   GLU  94          1HB       GLU  94   8.891   4.566   0.372
  678   1HG   GLU  94          2HG       GLU  94   8.024   2.398  -0.768
  679   2HG   GLU  94          1HG       GLU  94   9.725   2.143  -1.156
  680    H    ARG  95           H        ARG  95   6.583   5.559  -0.218
  681    HA   ARG  95           HA       ARG  95   4.745   3.672  -1.517
  682   1HB   ARG  95          2HB       ARG  95   5.931   3.477   1.020
  683   2HB   ARG  95          1HB       ARG  95   4.230   3.825   1.281
  684   1HG   ARG  95          2HG       ARG  95   4.977   1.731  -0.697
  685   2HG   ARG  95          1HG       ARG  95   5.100   1.362   1.025
  686   1HD   ARG  95          2HD       ARG  95   2.680   2.013  -0.613
  687   2HD   ARG  95          1HD       ARG  95   2.953   0.669   0.501
  688    HE   ARG  95           HE       ARG  95   2.553   3.458   1.381
  689   1HH1  ARG  95          2HH1      ARG  95   2.068   0.009   1.815
  690   2HH1  ARG  95          1HH1      ARG  95   1.267   0.197   3.341
  691   1HH2  ARG  95          2HH2      ARG  95   1.498   3.683   3.384
  692   2HH2  ARG  95          1HH2      ARG  95   0.898   2.277   4.207
  693    H    LEU  96           H        LEU  96   2.878   4.378  -2.075
  694    HA   LEU  96           HA       LEU  96   1.593   6.558  -0.585
  695   1HB   LEU  96          2HB       LEU  96   1.102   7.728  -2.447
  696   2HB   LEU  96          1HB       LEU  96   2.472   6.872  -3.127
  697    HG   LEU  96           HG       LEU  96   0.330   5.161  -3.579
  698   1HD1  LEU  96          1HD1      LEU  96  -0.572   7.833  -4.551
  699   2HD1  LEU  96          2HD1      LEU  96  -1.499   6.353  -4.300
  700   3HD1  LEU  96          3HD1      LEU  96  -0.987   7.319  -2.914
  701   1HD2  LEU  96          1HD2      LEU  96   0.641   5.804  -5.924
  702   2HD2  LEU  96          2HD2      LEU  96   1.583   7.202  -5.412
  703   3HD2  LEU  96          3HD2      LEU  96   2.182   5.574  -5.098
  704    H    ILE  97           H        ILE  97  -0.801   6.379  -0.608
  705    HA   ILE  97           HA       ILE  97  -1.984   4.022  -1.676
  706    HB   ILE  97           HB       ILE  97  -2.872   3.728   0.932
  707   1HG1  ILE  97          2HG1      ILE  97  -0.362   3.053   1.768
  708   2HG1  ILE  97          1HG1      ILE  97  -0.051   4.546   0.889
  709   1HG2  ILE  97          1HG2      ILE  97  -1.701   1.536   0.777
  710   2HG2  ILE  97          2HG2      ILE  97  -2.703   1.936  -0.623
  711   3HG2  ILE  97          3HG2      ILE  97  -0.945   2.106  -0.710
  712   1HD1  ILE  97          1HD1      ILE  97  -0.567   4.636   3.419
  713   2HD1  ILE  97          2HD1      ILE  97  -1.313   5.817   2.341
  714   3HD1  ILE  97          3HD1      ILE  97  -2.244   4.431   2.910
  715    H    THR  98           H        THR  98  -4.164   4.122  -1.754
  716    HA   THR  98           HA       THR  98  -5.437   6.380  -0.408
  717    HB   THR  98           HB       THR  98  -5.315   5.840  -3.237
  718    HG1  THR  98           1HG      THR  98  -5.142   7.910  -2.564
  719   1HG2  THR  98          1HG2      THR  98  -7.621   5.914  -3.854
  720   2HG2  THR  98          2HG2      THR  98  -8.124   6.018  -2.167
  721   3HG2  THR  98          3HG2      THR  98  -7.379   4.539  -2.778
  722    H    ARG  99           H        ARG  99  -7.024   5.748   0.917
  723    HA   ARG  99           HA       ARG  99  -7.581   2.932   1.192
  724   1HB   ARG  99          2HB       ARG  99  -9.056   5.152   2.606
  725   2HB   ARG  99          1HB       ARG  99  -8.783   3.504   3.152
  726   1HG   ARG  99          2HG       ARG  99  -6.402   5.204   2.715
  727   2HG   ARG  99          1HG       ARG  99  -7.428   5.572   4.100
  728   1HD   ARG  99          2HD       ARG  99  -5.906   3.058   3.498
  729   2HD   ARG  99          1HD       ARG  99  -5.827   4.079   4.932
  730    HE   ARG  99           HE       ARG  99  -8.391   3.144   4.938
  731   1HH1  ARG  99          2HH1      ARG  99  -5.194   1.686   4.905
  732   2HH1  ARG  99          1HH1      ARG  99  -5.730   0.200   5.650
  733   1HH2  ARG  99          2HH2      ARG  99  -9.084   1.217   5.950
  734   2HH2  ARG  99          1HH2      ARG  99  -7.940  -0.063   6.245
  735    H    LEU 100           H        LEU 100  -9.100   1.897   0.046
  736    HA   LEU 100           HA       LEU 100 -11.294   3.537  -1.019
  737   1HB   LEU 100          2HB       LEU 100  -9.525   2.142  -2.489
  738   2HB   LEU 100          1HB       LEU 100 -10.785   0.936  -2.294
  739    HG   LEU 100           HG       LEU 100 -12.382   2.808  -3.098
  740   1HD1  LEU 100          1HD1      LEU 100  -9.920   4.201  -3.135
  741   2HD1  LEU 100          2HD1      LEU 100 -10.454   4.007  -4.804
  742   3HD1  LEU 100          3HD1      LEU 100 -11.514   4.776  -3.624
  743   1HD2  LEU 100          1HD2      LEU 100 -11.603   2.350  -5.523
  744   2HD2  LEU 100          2HD2      LEU 100 -10.428   1.279  -4.760
  745   3HD2  LEU 100          3HD2      LEU 100 -12.153   1.003  -4.525
  746    H    GLU 101           H        GLU 101 -13.218   2.341  -1.521
  747    HA   GLU 101           HA       GLU 101 -13.899   0.440   0.620
  748   1HB   GLU 101          2HB       GLU 101 -16.262   1.704  -0.168
  749   2HB   GLU 101          1HB       GLU 101 -15.362   2.008   1.314
  750   1HG   GLU 101          2HG       GLU 101 -13.971   3.586  -0.287
  751   2HG   GLU 101          1HG       GLU 101 -15.473   3.576  -1.205
  752    H    ASN 102           H        ASN 102 -14.855  -1.423  -0.017
  753    HA   ASN 102           HA       ASN 102 -14.780  -2.186  -2.702
  754   1HB   ASN 102          2HB       ASN 102 -14.942  -3.561  -0.421
  755   2HB   ASN 102          1HB       ASN 102 -16.642  -3.633  -0.882
  756   1HD2  ASN 102          1HD2      ASN 102 -14.617  -5.737  -0.700
  757   2HD2  ASN 102          2HD2      ASN 102 -14.568  -6.480  -2.273
  758    H    THR 103           H        THR 103 -17.802  -2.050  -0.780
  759    HA   THR 103           HA       THR 103 -19.092  -0.719  -3.037
  760    HB   THR 103           HB       THR 103 -21.024  -2.488  -2.127
  761    HG1  THR 103           1HG      THR 103 -18.927  -4.190  -2.817
  762   1HG2  THR 103          1HG2      THR 103 -21.215  -2.304  -4.327
  763   2HG2  THR 103          2HG2      THR 103 -20.084  -3.653  -4.404
  764   3HG2  THR 103          3HG2      THR 103 -19.494  -1.999  -4.547
  765    H    GLN 104           H        GLN 104 -21.086  -2.143  -0.650
  766    HA   GLN 104           HA       GLN 104 -21.105  -0.012   1.239
  767   1HB   GLN 104          2HB       GLN 104 -23.712   0.293   0.615
  768   2HB   GLN 104          1HB       GLN 104 -22.450   1.348   0.000
  769   1HG   GLN 104          2HG       GLN 104 -22.433  -0.580  -1.888
  770   2HG   GLN 104          1HG       GLN 104 -24.128  -0.607  -1.400
  771   1HE2  GLN 104          1HE2      GLN 104 -25.452   0.886  -2.185
  772   2HE2  GLN 104          2HE2      GLN 104 -24.961   2.291  -3.088
  773    H    PHE 105           H        PHE 105 -20.915  -1.570   2.722
  774    HA   PHE 105           HA       PHE 105 -21.575  -4.074   2.856
  775   1HB   PHE 105          2HB       PHE 105 -20.537  -2.638   4.695
  776   2HB   PHE 105          1HB       PHE 105 -22.175  -2.480   5.326
  777    HD1  PHE 105           1HD      PHE 105 -23.434  -4.548   5.957
  778    HD2  PHE 105           2HD      PHE 105 -19.264  -4.580   5.094
  779    HE1  PHE 105           1HE      PHE 105 -23.210  -6.705   7.127
  780    HE2  PHE 105           2HE      PHE 105 -19.037  -6.737   6.253
  781    HZ   PHE 105           HZ       PHE 105 -21.009  -7.800   7.272
  782    H    ASP 106           H        ASP 106 -23.952  -1.747   4.115
  783    HA   ASP 106           HA       ASP 106 -25.935  -3.241   5.015
  784   1HB   ASP 106          2HB       ASP 106 -25.782  -0.648   4.064
  785   2HB   ASP 106          1HB       ASP 106 -27.090  -1.351   3.125
  786    H    ALA 107           H        ALA 107 -25.546  -2.612   1.546
  787    HA   ALA 107           HA       ALA 107 -27.153  -5.032   1.054
  788   1HB   ALA 107          1HB       ALA 107 -27.426  -3.518  -1.238
  789   2HB   ALA 107          2HB       ALA 107 -28.631  -3.717   0.035
  790   3HB   ALA 107          3HB       ALA 107 -27.534  -2.334   0.065
  791    H    ALA 108           H        ALA 108 -24.209  -4.629   1.269
  792    HA   ALA 108           HA       ALA 108 -23.433  -6.243  -0.931
  793   1HB   ALA 108          1HB       ALA 108 -22.499  -3.375  -1.006
  794   2HB   ALA 108          2HB       ALA 108 -21.853  -4.679  -2.003
  795   3HB   ALA 108          3HB       ALA 108 -23.535  -4.177  -2.187
  796    H    ASN 109           H        ASN 109 -20.653  -4.810  -0.731
  797    HA   ASN 109           HA       ASN 109 -19.911  -5.928   1.893
  798   1HB   ASN 109          2HB       ASN 109 -19.455  -7.412  -0.170
  799   2HB   ASN 109          1HB       ASN 109 -18.179  -6.258  -0.543
  800   1HD2  ASN 109          1HD2      ASN 109 -17.097  -8.474  -0.291
  801   2HD2  ASN 109          2HD2      ASN 109 -16.406  -8.788   1.270
  802    H    GLY 110           H        GLY 110 -20.276  -3.239   1.621
  803   1HA   GLY 110          1HA       GLY 110 -17.552  -2.127   1.392
  804   2HA   GLY 110          2HA       GLY 110 -19.031  -1.178   1.324
  805    H    ILE 111           H        ILE 111 -18.476   0.212   3.021
  806    HA   ILE 111           HA       ILE 111 -18.011  -1.016   5.643
  807    HB   ILE 111           HB       ILE 111 -18.199   1.873   5.677
  808   1HG1  ILE 111          2HG1      ILE 111 -15.662   1.386   4.434
  809   2HG1  ILE 111          1HG1      ILE 111 -16.942   0.813   3.369
  810   1HG2  ILE 111          1HG2      ILE 111 -16.643  -0.274   6.823
  811   2HG2  ILE 111          2HG2      ILE 111 -15.628   1.095   6.369
  812   3HG2  ILE 111          3HG2      ILE 111 -16.991   1.332   7.462
  813   1HD1  ILE 111          1HD1      ILE 111 -17.895   2.928   3.183
  814   2HD1  ILE 111          2HD1      ILE 111 -17.057   3.531   4.613
  815   3HD1  ILE 111          3HD1      ILE 111 -16.158   3.231   3.125
  816    H    ASP 112           H        ASP 112 -19.990   1.557   4.285
  817    HA   ASP 112           HA       ASP 112 -22.288   0.540   5.786
  818   1HB   ASP 112          2HB       ASP 112 -21.118   2.724   6.753
  819   2HB   ASP 112          1HB       ASP 112 -22.023   3.504   5.463
  820    H    ASP 113           H        ASP 113 -24.271   2.053   4.855
  821    HA   ASP 113           HA       ASP 113 -24.234   1.436   2.012
  822   1HB   ASP 113          2HB       ASP 113 -26.170   0.932   3.657
  823   2HB   ASP 113          1HB       ASP 113 -26.564   2.640   3.479
  824    H    GLU 114           H        GLU 114 -24.479   2.911   0.382
  825    HA   GLU 114           HA       GLU 114 -24.602   5.744   1.081
  826   1HB   GLU 114          2HB       GLU 114 -22.180   4.705   0.648
  827   2HB   GLU 114          1HB       GLU 114 -22.651   4.950  -1.028
  828   1HG   GLU 114          2HG       GLU 114 -21.452   6.870  -0.385
  829   2HG   GLU 114          1HG       GLU 114 -23.151   7.338  -0.431
  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1 -21.107  -5.752 -11.615
    2   2H    GLY   1          2H        GLY   1 -22.619  -6.511 -11.710
    3   3H    GLY   1          3H        GLY   1 -21.253  -7.258 -12.382
    4   1HA   GLY   1          2HA       GLY   1 -21.319  -6.617  -9.510
    5   2HA   GLY   1          1HA       GLY   1 -22.126  -8.060 -10.107
    6    H    SER   2           H        SER   2 -19.055  -6.417 -10.852
    7    HA   SER   2           HA       SER   2 -17.726  -9.026 -10.618
    8   1HB   SER   2          2HB       SER   2 -16.313  -6.785 -11.941
    9   2HB   SER   2          1HB       SER   2 -16.411  -8.484 -12.404
   10    HG   SER   2           HG       SER   2 -17.899  -6.370 -13.247
   11    H    LEU   3           H        LEU   3 -15.929  -9.257  -9.353
   12    HA   LEU   3           HA       LEU   3 -15.383  -7.043  -7.497
   13   1HB   LEU   3          2HB       LEU   3 -14.810 -10.001  -7.318
   14   2HB   LEU   3          1HB       LEU   3 -14.228  -8.830  -6.151
   15    HG   LEU   3           HG       LEU   3 -17.090  -8.596  -6.498
   16   1HD1  LEU   3          1HD1      LEU   3 -17.839 -10.686  -6.347
   17   2HD1  LEU   3          2HD1      LEU   3 -16.215 -11.205  -6.801
   18   3HD1  LEU   3          3HD1      LEU   3 -16.663 -11.096  -5.098
   19   1HD2  LEU   3          1HD2      LEU   3 -15.515  -9.453  -4.081
   20   2HD2  LEU   3          2HD2      LEU   3 -15.627  -7.777  -4.615
   21   3HD2  LEU   3          3HD2      LEU   3 -17.082  -8.646  -4.127
   22    H    LEU   4           H        LEU   4 -12.896  -7.683  -6.622
   23    HA   LEU   4           HA       LEU   4 -11.182  -7.766  -8.964
   24   1HB   LEU   4          2HB       LEU   4  -9.813  -5.977  -8.117
   25   2HB   LEU   4          1HB       LEU   4 -11.418  -5.480  -8.602
   26    HG   LEU   4           HG       LEU   4 -10.964  -6.176  -5.787
   27   1HD1  LEU   4          1HD1      LEU   4  -9.092  -4.698  -6.835
   28   2HD1  LEU   4          2HD1      LEU   4 -10.301  -3.420  -6.695
   29   3HD1  LEU   4          3HD1      LEU   4  -9.764  -4.290  -5.254
   30   1HD2  LEU   4          1HD2      LEU   4 -12.499  -3.897  -7.023
   31   2HD2  LEU   4          2HD2      LEU   4 -13.193  -5.478  -6.664
   32   3HD2  LEU   4          3HD2      LEU   4 -12.584  -4.465  -5.353
   33    H    THR   5           H        THR   5  -8.972  -8.211  -8.523
   34    HA   THR   5           HA       THR   5  -8.712  -9.892  -6.106
   35    HB   THR   5           HB       THR   5  -6.904 -10.854  -8.035
   36    HG1  THR   5           1HG      THR   5  -9.542 -10.546  -9.108
   37   1HG2  THR   5          1HG2      THR   5  -8.816 -12.712  -8.047
   38   2HG2  THR   5          2HG2      THR   5  -9.353 -11.778  -6.651
   39   3HG2  THR   5          3HG2      THR   5  -7.732 -12.476  -6.674
   40    H    CYS   6           H        CYS   6  -6.900  -9.750  -4.913
   41    HA   CYS   6           HA       CYS   6  -5.155  -7.529  -5.445
   42   1HB   CYS   6          2HB       CYS   6  -5.180  -7.397  -3.219
   43   2HB   CYS   6          1HB       CYS   6  -6.213  -8.817  -3.170
   44    H    GLY   7           H        GLY   7  -2.900  -7.650  -5.589
   45   1HA   GLY   7          1HA       GLY   7  -2.013  -9.985  -7.019
   46   2HA   GLY   7          2HA       GLY   7  -1.100  -8.505  -6.762
   47    H    GLY   8           H        GLY   8  -2.129  -9.374  -3.781
   48   1HA   GLY   8          1HA       GLY   8   0.471 -10.578  -3.179
   49   2HA   GLY   8          2HA       GLY   8  -0.648  -9.887  -2.014
   50    H    CYS   9           H        CYS   9  -2.943 -11.173  -2.342
   51    HA   CYS   9           HA       CYS   9  -2.201 -13.971  -1.810
   52   1HB   CYS   9          2HB       CYS   9  -4.005 -14.110  -0.263
   53   2HB   CYS   9          1HB       CYS   9  -3.165 -12.605   0.084
   54    H    GLN  10           H        GLN  10  -4.313 -11.875  -3.592
   55    HA   GLN  10           HA       GLN  10  -5.748 -12.189  -5.308
   56   1HB   GLN  10          2HB       GLN  10  -3.622 -13.828  -5.841
   57   2HB   GLN  10          1HB       GLN  10  -4.978 -14.943  -5.941
   58   1HG   GLN  10          2HG       GLN  10  -5.549 -14.167  -7.927
   59   2HG   GLN  10          1HG       GLN  10  -5.611 -12.515  -7.318
   60   1HE2  GLN  10          1HE2      GLN  10  -3.231 -11.693  -6.852
   61   2HE2  GLN  10          2HE2      GLN  10  -2.152 -11.887  -8.207
   62    H    GLN  11           H        GLN  11  -6.458 -13.153  -2.568
   63    HA   GLN  11           HA       GLN  11  -8.229 -15.394  -3.082
   64   1HB   GLN  11          2HB       GLN  11  -8.583 -15.479  -0.773
   65   2HB   GLN  11          1HB       GLN  11  -6.915 -14.954  -0.923
   66   1HG   GLN  11          2HG       GLN  11  -7.313 -13.053   0.154
   67   2HG   GLN  11          1HG       GLN  11  -8.748 -12.715  -0.813
   68   1HE2  GLN  11          1HE2      GLN  11 -10.731 -13.200  -0.025
   69   2HE2  GLN  11          2HE2      GLN  11 -11.016 -13.789   1.580
   70    H    ASN  12           H        ASN  12  -8.575 -12.647  -4.310
   71    HA   ASN  12           HA       ASN  12 -10.300 -11.409  -5.106
   72   1HB   ASN  12          2HB       ASN  12 -11.597 -13.526  -5.140
   73   2HB   ASN  12          1HB       ASN  12 -12.126 -13.204  -3.491
   74   1HD2  ASN  12          1HD2      ASN  12 -12.446 -12.350  -6.830
   75   2HD2  ASN  12          2HD2      ASN  12 -13.844 -11.333  -6.646
   76    H    ILE  13           H        ILE  13 -10.642  -9.405  -4.494
   77    HA   ILE  13           HA       ILE  13 -10.619  -8.750  -1.679
   78    HB   ILE  13           HB       ILE  13 -10.844  -6.869  -4.011
   79   1HG1  ILE  13          2HG1      ILE  13  -8.266  -7.409  -2.610
   80   2HG1  ILE  13          1HG1      ILE  13  -8.812  -8.537  -3.842
   81   1HG2  ILE  13          1HG2      ILE  13 -11.010  -6.427  -1.258
   82   2HG2  ILE  13          2HG2      ILE  13  -9.396  -5.885  -1.730
   83   3HG2  ILE  13          3HG2      ILE  13 -10.825  -5.215  -2.530
   84   1HD1  ILE  13          1HD1      ILE  13  -8.760  -5.643  -4.494
   85   2HD1  ILE  13          2HD1      ILE  13  -7.238  -6.534  -4.437
   86   3HD1  ILE  13          3HD1      ILE  13  -8.520  -7.045  -5.540
   87    H    GLY  14           H        GLY  14 -12.517  -9.257  -0.765
   88   1HA   GLY  14          1HA       GLY  14 -14.944  -7.978  -1.870
   89   2HA   GLY  14          2HA       GLY  14 -14.960  -9.443  -0.888
   90    H    ASP  15           H        ASP  15 -12.705  -7.074  -0.101
   91    HA   ASP  15           HA       ASP  15 -13.687  -6.778   2.537
   92   1HB   ASP  15          2HB       ASP  15 -11.518  -5.280   1.046
   93   2HB   ASP  15          1HB       ASP  15 -11.792  -5.179   2.783
   94    H    ARG  16           H        ARG  16 -13.408  -4.267   3.344
   95    HA   ARG  16           HA       ARG  16 -15.525  -2.829   1.909
   96   1HB   ARG  16          2HB       ARG  16 -15.179  -1.331   4.114
   97   2HB   ARG  16          1HB       ARG  16 -16.276  -2.698   4.048
   98   1HG   ARG  16          2HG       ARG  16 -15.169  -3.687   5.692
   99   2HG   ARG  16          1HG       ARG  16 -13.679  -3.641   4.750
  100   1HD   ARG  16          2HD       ARG  16 -14.195  -1.025   5.734
  101   2HD   ARG  16          1HD       ARG  16 -14.353  -2.160   7.074
  102    HE   ARG  16           HE       ARG  16 -11.975  -2.410   5.403
  103   1HH1  ARG  16          2HH1      ARG  16 -13.417  -1.305   8.400
  104   2HH1  ARG  16          1HH1      ARG  16 -11.888  -1.118   9.211
  105   1HH2  ARG  16          2HH2      ARG  16  -9.962  -2.154   6.452
  106   2HH2  ARG  16          1HH2      ARG  16  -9.926  -1.628   8.114
  107    H    TYR  17           H        TYR  17 -12.202  -2.643   2.939
  108    HA   TYR  17           HA       TYR  17 -11.860  -0.210   1.323
  109   1HB   TYR  17          2HB       TYR  17 -11.763  -0.184   4.065
  110   2HB   TYR  17          1HB       TYR  17 -10.077  -0.475   3.657
  111    HD1  TYR  17           1HD      TYR  17  -8.754   1.393   3.569
  112    HD2  TYR  17           2HD      TYR  17 -12.846   1.745   2.458
  113    HE1  TYR  17           1HE      TYR  17  -8.436   3.799   3.179
  114    HE2  TYR  17           2HE      TYR  17 -12.538   4.153   2.058
  115    HH   TYR  17           HH       TYR  17 -11.113   5.854   2.041
  116    H    PHE  18           H        PHE  18  -9.892  -0.153   0.154
  117    HA   PHE  18           HA       PHE  18  -8.002  -2.321   0.557
  118   1HB   PHE  18          2HB       PHE  18  -8.260  -3.366  -1.542
  119   2HB   PHE  18          1HB       PHE  18  -9.886  -3.195  -0.895
  120    HD1  PHE  18           1HD      PHE  18  -7.874  -2.792  -3.716
  121    HD2  PHE  18           2HD      PHE  18 -11.141  -0.981  -1.677
  122    HE1  PHE  18           1HE      PHE  18  -8.568  -1.697  -5.803
  123    HE2  PHE  18           2HE      PHE  18 -11.843   0.102  -3.763
  124    HZ   PHE  18           HZ       PHE  18 -10.556  -0.251  -5.828
  125    H    LEU  19           H        LEU  19  -6.450  -2.260  -1.543
  126    HA   LEU  19           HA       LEU  19  -5.703   0.539  -2.025
  127   1HB   LEU  19          2HB       LEU  19  -4.138  -1.684  -0.794
  128   2HB   LEU  19          1HB       LEU  19  -3.297  -0.547  -1.822
  129    HG   LEU  19           HG       LEU  19  -4.969   0.413   0.472
  130   1HD1  LEU  19          1HD1      LEU  19  -2.715   0.503   1.696
  131   2HD1  LEU  19          2HD1      LEU  19  -3.555  -1.045   1.616
  132   3HD1  LEU  19          3HD1      LEU  19  -2.195  -0.725   0.540
  133   1HD2  LEU  19          1HD2      LEU  19  -3.521   1.664  -1.557
  134   2HD2  LEU  19          2HD2      LEU  19  -4.192   2.411  -0.107
  135   3HD2  LEU  19          3HD2      LEU  19  -2.529   1.827  -0.111
  136    H    LYS  20           H        LYS  20  -4.751   0.910  -4.051
  137    HA   LYS  20           HA       LYS  20  -3.719  -1.219  -5.630
  138   1HB   LYS  20          2HB       LYS  20  -5.557  -1.861  -6.734
  139   2HB   LYS  20          1HB       LYS  20  -6.528  -0.659  -5.907
  140   1HG   LYS  20          2HG       LYS  20  -4.885   0.237  -8.211
  141   2HG   LYS  20          1HG       LYS  20  -6.311  -0.744  -8.538
  142   1HD   LYS  20          2HD       LYS  20  -6.291   1.818  -6.940
  143   2HD   LYS  20          1HD       LYS  20  -6.802   1.667  -8.622
  144   1HE   LYS  20          2HE       LYS  20  -8.075  -0.109  -6.614
  145   2HE   LYS  20          1HE       LYS  20  -8.523   1.595  -6.605
  146   1HZ   LYS  20          1HZ       LYS  20  -9.747   1.329  -8.420
  147   2HZ   LYS  20          2HZ       LYS  20  -9.573  -0.350  -8.218
  148   3HZ   LYS  20          3HZ       LYS  20  -8.517   0.501  -9.244
  149    H    ALA  21           H        ALA  21  -2.538  -0.383  -7.486
  150    HA   ALA  21           HA       ALA  21  -2.770   2.122  -8.612
  151   1HB   ALA  21          1HB       ALA  21  -0.565   3.074  -7.387
  152   2HB   ALA  21          2HB       ALA  21  -2.215   3.512  -6.938
  153   3HB   ALA  21          3HB       ALA  21  -1.358   2.258  -6.040
  154    H    ILE  22           H        ILE  22  -0.297  -0.026  -7.314
  155    HA   ILE  22           HA       ILE  22   1.872   0.502  -8.797
  156    HB   ILE  22           HB       ILE  22   0.806  -2.182  -7.944
  157   1HG1  ILE  22          2HG1      ILE  22   2.784  -0.218  -6.782
  158   2HG1  ILE  22          1HG1      ILE  22   1.279  -0.789  -6.079
  159   1HG2  ILE  22          1HG2      ILE  22   3.648  -2.205  -8.281
  160   2HG2  ILE  22          2HG2      ILE  22   2.426  -3.269  -8.986
  161   3HG2  ILE  22          3HG2      ILE  22   2.866  -1.765  -9.800
  162   1HD1  ILE  22          1HD1      ILE  22   2.494  -2.234  -4.929
  163   2HD1  ILE  22          2HD1      ILE  22   2.776  -3.092  -6.443
  164   3HD1  ILE  22          3HD1      ILE  22   3.936  -1.888  -5.884
  165    H    ASP  23           H        ASP  23  -0.809  -1.514  -9.860
  166    HA   ASP  23           HA       ASP  23  -0.820  -0.920 -12.539
  167   1HB   ASP  23          2HB       ASP  23   1.383  -1.835 -12.855
  168   2HB   ASP  23          1HB       ASP  23   0.996  -3.258 -11.898
  169    H    GLN  24           H        GLN  24  -1.330  -2.919  -9.905
  170    HA   GLN  24           HA       GLN  24  -3.679  -4.187 -11.122
  171   1HB   GLN  24          2HB       GLN  24  -3.143  -6.255  -9.997
  172   2HB   GLN  24          1HB       GLN  24  -1.747  -5.767 -10.938
  173   1HG   GLN  24          2HG       GLN  24  -2.077  -5.397  -7.968
  174   2HG   GLN  24          1HG       GLN  24  -1.129  -6.658  -8.745
  175   1HE2  GLN  24          1HE2      GLN  24   0.928  -6.208  -9.378
  176   2HE2  GLN  24          2HE2      GLN  24   1.682  -4.660  -9.192
  177    H    TYR  25           H        TYR  25  -4.568  -5.501  -8.848
  178    HA   TYR  25           HA       TYR  25  -5.157  -3.241  -7.051
  179   1HB   TYR  25          2HB       TYR  25  -6.784  -5.766  -7.175
  180   2HB   TYR  25          1HB       TYR  25  -7.253  -4.181  -6.568
  181    HD1  TYR  25           1HD      TYR  25  -8.281  -6.284  -8.857
  182    HD2  TYR  25           2HD      TYR  25  -6.527  -2.399  -8.773
  183    HE1  TYR  25           1HE      TYR  25  -9.289  -5.783 -11.039
  184    HE2  TYR  25           2HE      TYR  25  -7.547  -1.891 -10.955
  185    HH   TYR  25           HH       TYR  25  -8.658  -4.125 -13.018
  186    H    TRP  26           H        TRP  26  -5.365  -3.729  -4.779
  187    HA   TRP  26           HA       TRP  26  -3.876  -6.095  -3.897
  188   1HB   TRP  26          2HB       TRP  26  -3.400  -3.262  -2.939
  189   2HB   TRP  26          1HB       TRP  26  -2.634  -4.704  -2.285
  190    HD1  TRP  26           HD       TRP  26  -2.406  -2.227  -5.116
  191    HE1  TRP  26           1HE      TRP  26  -0.296  -2.728  -6.503
  192    HE3  TRP  26           3HE      TRP  26  -1.135  -6.716  -3.043
  193    HZ2  TRP  26           2HZ      TRP  26   1.653  -4.768  -6.684
  194    HZ3  TRP  26           3HZ      TRP  26   0.859  -7.886  -3.882
  195    HH2  TRP  26           HH       TRP  26   2.228  -6.925  -5.665
  196    H    HIS  27           H        HIS  27  -3.784  -5.601  -1.302
  197    HA   HIS  27           HA       HIS  27  -6.568  -5.239  -0.418
  198   1HB   HIS  27          2HB       HIS  27  -4.635  -7.407   0.142
  199   2HB   HIS  27          1HB       HIS  27  -5.460  -6.768   1.557
  200    HD2  HIS  27           2HD      HIS  27  -8.432  -6.487   0.610
  201    HE1  HIS  27           1HE      HIS  27  -8.044 -10.479  -0.746
  202    HE2  HIS  27           2HE      HIS  27  -9.657  -8.726   0.159
  203    H    GLU  28           H        GLU  28  -6.515  -4.710   2.062
  204    HA   GLU  28           HA       GLU  28  -5.074  -2.309   2.358
  205   1HB   GLU  28          2HB       GLU  28  -6.900  -3.954   4.003
  206   2HB   GLU  28          1HB       GLU  28  -5.855  -2.847   4.872
  207   1HG   GLU  28          2HG       GLU  28  -6.692  -1.015   3.412
  208   2HG   GLU  28          1HG       GLU  28  -7.838  -2.165   2.724
  209    H    ASP  29           H        ASP  29  -4.656  -5.512   3.887
  210    HA   ASP  29           HA       ASP  29  -2.012  -4.589   4.819
  211   1HB   ASP  29          2HB       ASP  29  -3.923  -5.363   6.451
  212   2HB   ASP  29          1HB       ASP  29  -3.367  -6.974   6.010
  213    H    CYS  30           H        CYS  30  -2.931  -6.026   2.238
  214    HA   CYS  30           HA       CYS  30  -1.267  -8.419   2.402
  215   1HB   CYS  30          2HB       CYS  30  -3.216  -7.349   0.435
  216   2HB   CYS  30          1HB       CYS  30  -1.887  -8.310  -0.203
  217    H    LEU  31           H        LEU  31  -1.440  -5.360   0.658
  218    HA   LEU  31           HA       LEU  31   1.197  -5.612  -0.453
  219   1HB   LEU  31          2HB       LEU  31  -0.230  -4.270  -1.734
  220   2HB   LEU  31          1HB       LEU  31  -0.861  -3.434  -0.327
  221    HG   LEU  31           HG       LEU  31   1.824  -2.762  -0.314
  222   1HD1  LEU  31          1HD1      LEU  31   0.933  -3.346  -3.053
  223   2HD1  LEU  31          2HD1      LEU  31   1.716  -1.781  -2.823
  224   3HD1  LEU  31          3HD1      LEU  31   2.560  -3.265  -2.374
  225   1HD2  LEU  31          1HD2      LEU  31  -0.480  -1.245  -1.527
  226   2HD2  LEU  31          2HD2      LEU  31  -0.085  -1.313   0.191
  227   3HD2  LEU  31          3HD2      LEU  31   1.035  -0.555  -0.943
  228    H    SER  32           H        SER  32   2.862  -5.629   0.900
  229    HA   SER  32           HA       SER  32   3.165  -3.451   2.808
  230   1HB   SER  32          2HB       SER  32   3.990  -5.921   4.074
  231   2HB   SER  32          1HB       SER  32   2.902  -4.673   4.676
  232    HG   SER  32           HG       SER  32   1.733  -6.162   2.732
  233    H    CYS  33           H        CYS  33   5.424  -4.081   4.040
  234    HA   CYS  33           HA       CYS  33   7.494  -3.729   2.245
  235   1HB   CYS  33          2HB       CYS  33   7.153  -4.383   5.096
  236   2HB   CYS  33          1HB       CYS  33   8.686  -4.895   4.412
  237    H    ASP  34           H        ASP  34   7.932  -5.081   0.627
  238    HA   ASP  34           HA       ASP  34   7.206  -7.805   0.656
  239   1HB   ASP  34          2HB       ASP  34   7.249  -6.186  -1.316
  240   2HB   ASP  34          1HB       ASP  34   8.975  -6.514  -1.407
  241    H    LEU  35           H        LEU  35  10.434  -6.592  -0.224
  242    HA   LEU  35           HA       LEU  35  11.799  -9.001   0.097
  243   1HB   LEU  35          2HB       LEU  35  12.893  -7.247  -1.072
  244   2HB   LEU  35          1HB       LEU  35  12.687  -6.120   0.264
  245    HG   LEU  35           HG       LEU  35  14.222  -8.142   1.366
  246   1HD1  LEU  35          1HD1      LEU  35  14.504  -9.006  -0.983
  247   2HD1  LEU  35          2HD1      LEU  35  15.372  -7.514  -1.342
  248   3HD1  LEU  35          3HD1      LEU  35  15.998  -8.628  -0.126
  249   1HD2  LEU  35          1HD2      LEU  35  15.988  -6.483   1.366
  250   2HD2  LEU  35          2HD2      LEU  35  15.166  -5.574   0.096
  251   3HD2  LEU  35          3HD2      LEU  35  14.436  -5.712   1.697
  252    H    CYS  36           H        CYS  36  11.323  -6.347   2.277
  253    HA   CYS  36           HA       CYS  36  12.770  -7.236   4.484
  254   1HB   CYS  36          2HB       CYS  36  10.467  -5.578   5.047
  255   2HB   CYS  36          1HB       CYS  36  12.185  -5.159   5.081
  256    H    GLY  37           H        GLY  37   9.404  -7.624   3.534
  257   1HA   GLY  37          1HA       GLY  37   7.894  -9.261   4.067
  258   2HA   GLY  37          2HA       GLY  37   9.177 -10.071   4.954
  259    H    CYS  38           H        CYS  38   8.382  -6.804   5.848
  260    HA   CYS  38           HA       CYS  38   7.249  -7.870   8.323
  261   1HB   CYS  38          2HB       CYS  38   7.516  -5.222   8.828
  262   2HB   CYS  38          1HB       CYS  38   8.780  -6.410   9.112
  263    HG   CYS  38           HG       CYS  38   8.531  -4.324   6.401
  264    H    ARG  39           H        ARG  39   6.448  -4.628   7.729
  265    HA   ARG  39           HA       ARG  39   4.045  -5.012   6.284
  266   1HB   ARG  39          2HB       ARG  39   2.451  -4.777   7.959
  267   2HB   ARG  39          1HB       ARG  39   3.584  -5.915   8.656
  268   1HG   ARG  39          2HG       ARG  39   4.081  -4.545  10.341
  269   2HG   ARG  39          1HG       ARG  39   4.209  -3.142   9.280
  270   1HD   ARG  39          2HD       ARG  39   2.316  -3.321  11.117
  271   2HD   ARG  39          1HD       ARG  39   2.025  -2.553   9.557
  272    HE   ARG  39           HE       ARG  39   0.780  -4.437   8.881
  273   1HH1  ARG  39          2HH1      ARG  39   1.851  -4.619  12.209
  274   2HH1  ARG  39          1HH1      ARG  39   0.790  -5.935  12.618
  275   1HH2  ARG  39          2HH2      ARG  39  -0.639  -6.166   9.412
  276   2HH2  ARG  39          1HH2      ARG  39  -0.596  -6.840  11.018
  277    H    LEU  40           H        LEU  40   2.744  -2.908   6.316
  278    HA   LEU  40           HA       LEU  40   4.661  -0.713   6.183
  279   1HB   LEU  40          2HB       LEU  40   1.768  -0.822   5.329
  280   2HB   LEU  40          1HB       LEU  40   2.874   0.505   5.028
  281    HG   LEU  40           HG       LEU  40   3.231  -2.285   3.936
  282   1HD1  LEU  40          1HD1      LEU  40   2.404  -1.497   1.861
  283   2HD1  LEU  40          2HD1      LEU  40   1.216  -1.056   3.087
  284   3HD1  LEU  40          3HD1      LEU  40   2.317   0.164   2.449
  285   1HD2  LEU  40          1HD2      LEU  40   4.599  -0.399   2.400
  286   2HD2  LEU  40          2HD2      LEU  40   4.941   0.025   4.077
  287   3HD2  LEU  40          3HD2      LEU  40   5.292  -1.600   3.488
  288    H    GLY  41           H        GLY  41   4.974   0.413   7.971
  289   1HA   GLY  41          1HA       GLY  41   2.625   1.355   9.460
  290   2HA   GLY  41          2HA       GLY  41   3.869   0.481  10.350
  291    H    GLU  42           H        GLU  42   6.138   1.457   9.103
  292    HA   GLU  42           HA       GLU  42   6.244   4.164  10.178
  293   1HB   GLU  42          2HB       GLU  42   8.373   2.279   9.154
  294   2HB   GLU  42          1HB       GLU  42   8.707   3.925   9.678
  295   1HG   GLU  42          2HG       GLU  42   7.613   1.683  11.357
  296   2HG   GLU  42          1HG       GLU  42   9.225   2.396  11.452
  297    H    VAL  43           H        VAL  43   4.641   4.358   8.160
  298    HA   VAL  43           HA       VAL  43   6.254   5.411   5.929
  299    HB   VAL  43           HB       VAL  43   4.154   4.786   4.515
  300   1HG1  VAL  43          1HG1      VAL  43   5.196   2.818   3.781
  301   2HG1  VAL  43          2HG1      VAL  43   6.505   3.817   4.414
  302   3HG1  VAL  43          3HG1      VAL  43   5.872   2.479   5.374
  303   1HG2  VAL  43          1HG2      VAL  43   3.837   3.027   6.930
  304   2HG2  VAL  43          2HG2      VAL  43   2.631   4.041   6.140
  305   3HG2  VAL  43          3HG2      VAL  43   3.200   2.570   5.349
  306    H    GLY  44           H        GLY  44   4.462   6.585   4.421
  307   1HA   GLY  44          1HA       GLY  44   3.025   8.475   6.170
  308   2HA   GLY  44          2HA       GLY  44   3.725   8.925   4.615
  309    H    ARG  45           H        ARG  45   1.400   9.647   4.278
  310    HA   ARG  45           HA       ARG  45  -0.579   7.610   3.877
  311   1HB   ARG  45          2HB       ARG  45  -2.028   9.297   3.239
  312   2HB   ARG  45          1HB       ARG  45  -0.928  10.158   4.296
  313   1HG   ARG  45          2HG       ARG  45  -0.061  11.403   2.617
  314   2HG   ARG  45          1HG       ARG  45  -0.240  10.118   1.423
  315   1HD   ARG  45          2HD       ARG  45  -2.053  12.299   2.127
  316   2HD   ARG  45          1HD       ARG  45  -1.931  11.360   0.641
  317    HE   ARG  45           HE       ARG  45  -3.144   9.575   2.086
  318   1HH1  ARG  45          2HH1      ARG  45  -3.688  13.034   2.190
  319   2HH1  ARG  45          1HH1      ARG  45  -5.334  12.890   2.722
  320   1HH2  ARG  45          2HH2      ARG  45  -5.318   9.372   2.741
  321   2HH2  ARG  45          1HH2      ARG  45  -6.266  10.801   3.039
  322    H    ARG  46           H        ARG  46   2.148   8.466   2.221
  323    HA   ARG  46           HA       ARG  46   1.157   7.474  -0.363
  324   1HB   ARG  46          2HB       ARG  46   3.926   8.537  -0.024
  325   2HB   ARG  46          1HB       ARG  46   2.867   8.603  -1.426
  326   1HG   ARG  46          2HG       ARG  46   1.480  10.167   0.257
  327   2HG   ARG  46          1HG       ARG  46   3.121  10.454   0.847
  328   1HD   ARG  46          2HD       ARG  46   3.251  11.970  -0.791
  329   2HD   ARG  46          1HD       ARG  46   3.442  10.585  -1.863
  330    HE   ARG  46           HE       ARG  46   0.697  11.122  -1.444
  331   1HH1  ARG  46          2HH1      ARG  46   3.521  12.234  -3.186
  332   2HH1  ARG  46          1HH1      ARG  46   2.606  13.062  -4.416
  333   1HH2  ARG  46          2HH2      ARG  46  -0.527  12.186  -3.062
  334   2HH2  ARG  46          1HH2      ARG  46   0.296  13.034  -4.339
  335    H    LEU  47           H        LEU  47   3.476   6.451  -1.411
  336    HA   LEU  47           HA       LEU  47   4.793   4.727   0.447
  337   1HB   LEU  47          2HB       LEU  47   2.421   3.726  -0.250
  338   2HB   LEU  47          1HB       LEU  47   3.346   3.183  -1.636
  339    HG   LEU  47           HG       LEU  47   4.966   2.402   0.411
  340   1HD1  LEU  47          1HD1      LEU  47   3.501   1.298   2.056
  341   2HD1  LEU  47          2HD1      LEU  47   3.404   3.056   2.123
  342   3HD1  LEU  47          3HD1      LEU  47   2.118   2.132   1.348
  343   1HD2  LEU  47          1HD2      LEU  47   4.030   0.143   0.014
  344   2HD2  LEU  47          2HD2      LEU  47   2.714   0.883  -0.896
  345   3HD2  LEU  47          3HD2      LEU  47   4.373   1.023  -1.476
  346    H    TYR  48           H        TYR  48   6.060   3.006  -0.879
  347    HA   TYR  48           HA       TYR  48   6.809   3.958  -3.516
  348   1HB   TYR  48          2HB       TYR  48   8.376   5.088  -1.950
  349   2HB   TYR  48          1HB       TYR  48   8.858   3.514  -1.326
  350    HD1  TYR  48           1HD      TYR  48  10.404   2.145  -2.505
  351    HD2  TYR  48           2HD      TYR  48   8.951   5.725  -4.279
  352    HE1  TYR  48           1HE      TYR  48  12.123   1.967  -4.246
  353    HE2  TYR  48           2HE      TYR  48  10.668   5.556  -6.035
  354    HH   TYR  48           HH       TYR  48  12.801   4.532  -6.447
  355    H    TYR  49           H        TYR  49   7.604   2.330  -4.816
  356    HA   TYR  49           HA       TYR  49   8.001  -0.320  -3.683
  357   1HB   TYR  49          2HB       TYR  49   6.406  -1.410  -5.063
  358   2HB   TYR  49          1HB       TYR  49   5.553  -0.053  -4.330
  359    HD1  TYR  49           1HD      TYR  49   5.420   2.120  -5.775
  360    HD2  TYR  49           2HD      TYR  49   6.295  -1.738  -7.347
  361    HE1  TYR  49           1HE      TYR  49   4.717   2.875  -8.005
  362    HE2  TYR  49           2HE      TYR  49   5.599  -0.984  -9.584
  363    HH   TYR  49           HH       TYR  49   5.274   0.961 -10.848
  364    H    LYS  50           H        LYS  50   9.106  -1.745  -5.180
  365    HA   LYS  50           HA       LYS  50  10.984  -0.321  -6.841
  366   1HB   LYS  50          2HB       LYS  50  11.251  -2.522  -5.345
  367   2HB   LYS  50          1HB       LYS  50  10.842  -3.293  -6.871
  368   1HG   LYS  50          2HG       LYS  50  12.708  -2.012  -7.925
  369   2HG   LYS  50          1HG       LYS  50  13.170  -1.476  -6.308
  370   1HD   LYS  50          2HD       LYS  50  13.401  -3.845  -5.634
  371   2HD   LYS  50          1HD       LYS  50  13.034  -4.326  -7.291
  372   1HE   LYS  50          2HE       LYS  50  15.014  -2.660  -7.829
  373   2HE   LYS  50          1HE       LYS  50  15.475  -3.048  -6.173
  374   1HZ   LYS  50          1HZ       LYS  50  15.068  -4.993  -8.382
  375   2HZ   LYS  50          2HZ       LYS  50  15.432  -5.404  -6.778
  376   3HZ   LYS  50          3HZ       LYS  50  16.554  -4.535  -7.703
  377    H    LEU  51           H        LEU  51  11.364  -0.859  -9.072
  378    HA   LEU  51           HA       LEU  51   9.499  -0.276 -10.794
  379   1HB   LEU  51          2HB       LEU  51  10.749  -1.132 -12.557
  380   2HB   LEU  51          1HB       LEU  51  11.906  -0.824 -11.278
  381    HG   LEU  51           HG       LEU  51  10.770  -3.573 -11.691
  382   1HD1  LEU  51          1HD1      LEU  51  12.099  -2.231 -13.681
  383   2HD1  LEU  51          2HD1      LEU  51  13.396  -3.096 -12.858
  384   3HD1  LEU  51          3HD1      LEU  51  12.012  -3.983 -13.499
  385   1HD2  LEU  51          1HD2      LEU  51  13.118  -2.360 -10.297
  386   2HD2  LEU  51          2HD2      LEU  51  11.928  -3.515  -9.693
  387   3HD2  LEU  51          3HD2      LEU  51  13.175  -4.041 -10.828
  388    H    GLY  52           H        GLY  52   9.836  -3.672  -9.759
  389   1HA   GLY  52          1HA       GLY  52   7.105  -4.078 -10.777
  390   2HA   GLY  52          2HA       GLY  52   8.367  -5.240 -11.156
  391    H    ARG  53           H        ARG  53   8.756  -3.922  -8.061
  392    HA   ARG  53           HA       ARG  53   7.305  -6.184  -6.853
  393   1HB   ARG  53          2HB       ARG  53  10.009  -5.151  -5.975
  394   2HB   ARG  53          1HB       ARG  53   9.108  -6.470  -5.238
  395   1HG   ARG  53          2HG       ARG  53   9.328  -7.159  -7.925
  396   2HG   ARG  53          1HG       ARG  53  10.900  -6.496  -7.482
  397   1HD   ARG  53          2HD       ARG  53  10.208  -8.100  -5.332
  398   2HD   ARG  53          1HD       ARG  53   9.650  -9.010  -6.735
  399    HE   ARG  53           HE       ARG  53  12.262  -8.063  -7.197
  400   1HH1  ARG  53          2HH1      ARG  53  10.537 -10.421  -5.254
  401   2HH1  ARG  53          1HH1      ARG  53  11.877 -11.524  -5.174
  402   1HH2  ARG  53          2HH2      ARG  53  14.031  -9.524  -7.102
  403   2HH2  ARG  53          1HH2      ARG  53  13.860 -11.017  -6.224
  404    H    LYS  54           H        LYS  54   6.361  -5.798  -4.857
  405    HA   LYS  54           HA       LYS  54   5.955  -2.973  -4.240
  406   1HB   LYS  54          2HB       LYS  54   4.397  -4.182  -2.438
  407   2HB   LYS  54          1HB       LYS  54   3.886  -3.934  -4.101
  408   1HG   LYS  54          2HG       LYS  54   3.510  -6.109  -4.239
  409   2HG   LYS  54          1HG       LYS  54   5.249  -6.371  -4.102
  410   1HD   LYS  54          2HD       LYS  54   5.125  -6.712  -1.781
  411   2HD   LYS  54          1HD       LYS  54   3.504  -6.022  -1.682
  412   1HE   LYS  54          2HE       LYS  54   3.337  -8.408  -1.467
  413   2HE   LYS  54          1HE       LYS  54   2.662  -7.930  -3.026
  414   1HZ   LYS  54          1HZ       LYS  54   4.631  -8.659  -4.126
  415   2HZ   LYS  54          2HZ       LYS  54   4.113  -9.919  -3.118
  416   3HZ   LYS  54          3HZ       LYS  54   5.429  -8.950  -2.653
  417    H    LEU  55           H        LEU  55   8.494  -3.554  -3.688
  418    HA   LEU  55           HA       LEU  55   8.579  -3.882  -0.769
  419   1HB   LEU  55          2HB       LEU  55  10.434  -5.079  -1.046
  420   2HB   LEU  55          1HB       LEU  55  10.219  -4.970  -2.779
  421    HG   LEU  55           HG       LEU  55  11.443  -2.561  -2.034
  422   1HD1  LEU  55          1HD1      LEU  55  12.283  -4.828  -0.341
  423   2HD1  LEU  55          2HD1      LEU  55  13.571  -3.865  -1.066
  424   3HD1  LEU  55          3HD1      LEU  55  12.361  -3.092  -0.040
  425   1HD2  LEU  55          1HD2      LEU  55  12.857  -4.972  -3.123
  426   2HD2  LEU  55          2HD2      LEU  55  11.680  -4.064  -4.076
  427   3HD2  LEU  55          3HD2      LEU  55  13.142  -3.268  -3.486
  428    H    CYS  56           H        CYS  56   9.737  -2.313   0.444
  429    HA   CYS  56           HA       CYS  56   9.256   0.324  -0.468
  430   1HB   CYS  56          2HB       CYS  56  10.017   1.045   1.690
  431   2HB   CYS  56          1HB       CYS  56   9.068  -0.418   1.912
  432    H    ARG  57           H        ARG  57  11.165   1.888   0.352
  433    HA   ARG  57           HA       ARG  57  13.489   1.228  -1.334
  434   1HB   ARG  57          2HB       ARG  57  12.343   3.289  -1.996
  435   2HB   ARG  57          1HB       ARG  57  12.490   3.919  -0.363
  436   1HG   ARG  57          2HG       ARG  57  14.272   4.981  -1.204
  437   2HG   ARG  57          1HG       ARG  57  15.085   3.439  -0.931
  438   1HD   ARG  57          2HD       ARG  57  15.044   2.872  -3.166
  439   2HD   ARG  57          1HD       ARG  57  13.656   3.903  -3.508
  440    HE   ARG  57           HE       ARG  57  15.717   5.595  -2.777
  441   1HH1  ARG  57          2HH1      ARG  57  15.175   3.227  -5.308
  442   2HH1  ARG  57          1HH1      ARG  57  16.114   4.103  -6.481
  443   1HH2  ARG  57          2HH2      ARG  57  16.964   6.707  -4.292
  444   2HH2  ARG  57          1HH2      ARG  57  17.149   6.074  -5.904
  445    H    ARG  58           H        ARG  58  12.398   1.470   1.822
  446    HA   ARG  58           HA       ARG  58  14.788   2.476   3.019
  447   1HB   ARG  58          2HB       ARG  58  12.452   1.069   4.314
  448   2HB   ARG  58          1HB       ARG  58  13.720   1.947   5.160
  449   1HG   ARG  58          2HG       ARG  58  12.018   3.484   5.117
  450   2HG   ARG  58          1HG       ARG  58  12.955   3.940   3.692
  451   1HD   ARG  58          2HD       ARG  58  11.415   3.085   2.226
  452   2HD   ARG  58          1HD       ARG  58  10.740   1.968   3.413
  453    HE   ARG  58           HE       ARG  58   9.891   4.645   2.898
  454   1HH1  ARG  58          2HH1      ARG  58  10.086   2.185   5.397
  455   2HH1  ARG  58          1HH1      ARG  58   8.895   2.949   6.402
  456   1HH2  ARG  58          2HH2      ARG  58   8.334   5.645   4.221
  457   2HH2  ARG  58          1HH2      ARG  58   7.922   4.909   5.753
  458    H    ASP  59           H        ASP  59  13.155  -0.670   3.093
  459    HA   ASP  59           HA       ASP  59  15.398  -1.932   4.360
  460   1HB   ASP  59          2HB       ASP  59  12.855  -3.021   3.144
  461   2HB   ASP  59          1HB       ASP  59  14.052  -4.020   3.963
  462    H    TYR  60           H        TYR  60  14.521  -1.109   1.227
  463    HA   TYR  60           HA       TYR  60  16.116  -3.082  -0.142
  464   1HB   TYR  60          2HB       TYR  60  14.525  -2.351  -1.601
  465   2HB   TYR  60          1HB       TYR  60  14.418  -0.765  -0.858
  466    HD1  TYR  60           1HD      TYR  60  15.961   1.026  -1.540
  467    HD2  TYR  60           2HD      TYR  60  15.957  -2.763  -3.469
  468    HE1  TYR  60           1HE      TYR  60  17.186   2.000  -3.444
  469    HE2  TYR  60           2HE      TYR  60  17.179  -1.806  -5.374
  470    HH   TYR  60           HH       TYR  60  17.326   0.760  -6.350
  471    H    LEU  61           H        LEU  61  16.447   0.216   1.084
  472    HA   LEU  61           HA       LEU  61  19.091   0.555  -0.013
  473   1HB   LEU  61          2HB       LEU  61  17.156   2.257   1.008
  474   2HB   LEU  61          1HB       LEU  61  18.432   2.300   2.209
  475    HG   LEU  61           HG       LEU  61  19.864   2.592  -0.096
  476   1HD1  LEU  61          1HD1      LEU  61  18.774   3.742  -1.707
  477   2HD1  LEU  61          2HD1      LEU  61  17.402   2.821  -1.089
  478   3HD1  LEU  61          3HD1      LEU  61  17.650   4.490  -0.573
  479   1HD2  LEU  61          1HD2      LEU  61  20.027   4.949   0.531
  480   2HD2  LEU  61          2HD2      LEU  61  18.620   4.768   1.579
  481   3HD2  LEU  61          3HD2      LEU  61  20.109   3.899   1.946
  482    H    ARG  62           H        ARG  62  17.852  -1.153   2.588
  483    HA   ARG  62           HA       ARG  62  19.869  -0.758   4.527
  484   1HB   ARG  62          2HB       ARG  62  17.660  -2.604   4.111
  485   2HB   ARG  62          1HB       ARG  62  19.057  -3.387   4.838
  486   1HG   ARG  62          2HG       ARG  62  18.196  -2.656   6.767
  487   2HG   ARG  62          1HG       ARG  62  18.886  -1.096   6.306
  488   1HD   ARG  62          2HD       ARG  62  16.581  -1.015   4.949
  489   2HD   ARG  62          1HD       ARG  62  16.082  -2.011   6.315
  490    HE   ARG  62           HE       ARG  62  17.371   0.598   6.740
  491   1HH1  ARG  62          2HH1      ARG  62  14.619  -1.545   7.138
  492   2HH1  ARG  62          1HH1      ARG  62  13.798  -0.483   8.246
  493   1HH2  ARG  62          2HH2      ARG  62  16.267   1.991   8.174
  494   2HH2  ARG  62          1HH2      ARG  62  14.746   1.508   8.860
  495    H    LEU  63           H        LEU  63  19.672  -2.651   1.637
  496    HA   LEU  63           HA       LEU  63  22.389  -3.672   2.125
  497   1HB   LEU  63          2HB       LEU  63  21.442  -5.473   0.362
  498   2HB   LEU  63          1HB       LEU  63  21.388  -5.692   2.100
  499    HG   LEU  63           HG       LEU  63  19.048  -4.275   1.079
  500   1HD1  LEU  63          1HD1      LEU  63  18.980  -7.140   0.365
  501   2HD1  LEU  63          2HD1      LEU  63  18.173  -5.762  -0.384
  502   3HD1  LEU  63          3HD1      LEU  63  19.876  -6.078  -0.721
  503   1HD2  LEU  63          1HD2      LEU  63  18.819  -5.043   3.235
  504   2HD2  LEU  63          2HD2      LEU  63  18.027  -6.333   2.329
  505   3HD2  LEU  63          3HD2      LEU  63  19.680  -6.548   2.906
  506    H    GLY  64           H        GLY  64  20.038  -2.493  -0.214
  507   1HA   GLY  64          1HA       GLY  64  21.960  -2.503  -2.372
  508   2HA   GLY  64          2HA       GLY  64  20.309  -1.901  -2.441
  509    H    GLY  65           H        GLY  65  21.407  -0.471   0.216
  510   1HA   GLY  65          1HA       GLY  65  22.594   1.783  -1.265
  511   2HA   GLY  65          2HA       GLY  65  21.444   2.014   0.044
  512    H    SER  66           H        SER  66  22.201   2.250   2.031
  513    HA   SER  66           HA       SER  66  24.784   1.115   2.737
  514   1HB   SER  66          2HB       SER  66  24.515   3.792   3.861
  515   2HB   SER  66          1HB       SER  66  25.894   3.052   3.051
  516    HG   SER  66           HG       SER  66  24.252   3.451   1.128
  517    H    GLY  67           H        GLY  67  22.561   3.439   4.256
  518   1HA   GLY  67          1HA       GLY  67  22.120   1.427   6.378
  519   2HA   GLY  67          2HA       GLY  67  22.294   3.143   6.724
  520    H    GLY  68           H        GLY  68  20.689   4.581   5.611
  521   1HA   GLY  68          1HA       GLY  68  18.506   5.213   5.268
  522   2HA   GLY  68          2HA       GLY  68  18.248   3.605   4.604
  523    H    HIS  69           H        HIS  69  19.300   4.318   7.878
  524    HA   HIS  69           HA       HIS  69  16.937   2.891   8.858
  525   1HB   HIS  69          2HB       HIS  69  19.733   3.085   9.667
  526   2HB   HIS  69          1HB       HIS  69  18.621   3.298  11.015
  527    HD2  HIS  69           2HD      HIS  69  20.052   0.554   8.777
  528    HE1  HIS  69           1HE      HIS  69  17.057  -1.188  11.204
  529    HE2  HIS  69           2HE      HIS  69  19.071  -1.650   9.739
  530    H    MET  70           H        MET  70  18.734   5.885   9.228
  531    HA   MET  70           HA       MET  70  17.116   6.925  11.329
  532   1HB   MET  70          2HB       MET  70  18.975   8.302   9.383
  533   2HB   MET  70          1HB       MET  70  18.215   9.100  10.753
  534   1HG   MET  70          2HG       MET  70  19.517   6.731  11.659
  535   2HG   MET  70          1HG       MET  70  20.639   7.674  10.682
  536   1HE   MET  70          1HE       MET  70  18.292   7.370  13.440
  537   2HE   MET  70          2HE       MET  70  19.571   7.561  14.639
  538   3HE   MET  70          3HE       MET  70  18.381   8.843  14.408
  539    H    GLY  71           H        GLY  71  16.828   6.839   7.890
  540   1HA   GLY  71          1HA       GLY  71  14.743   8.889   7.889
  541   2HA   GLY  71          2HA       GLY  71  15.466   8.147   6.469
  542    H    SER  72           H        SER  72  12.906   8.063   8.719
  543    HA   SER  72           HA       SER  72  11.500   6.145   7.094
  544   1HB   SER  72          2HB       SER  72  12.181   5.521   9.979
  545   2HB   SER  72          1HB       SER  72  10.908   4.697   9.079
  546    HG   SER  72           HG       SER  72  13.298   4.781   7.736
  547    H    GLY  73           H        GLY  73  10.735   8.522   7.038
  548   1HA   GLY  73          1HA       GLY  73   8.847   9.823   7.315
  549   2HA   GLY  73          2HA       GLY  73   8.207   8.575   8.374
  550    H    GLY  74           H        GLY  74   7.620  11.050   9.073
  551   1HA   GLY  74          1HA       GLY  74   7.627  12.410  10.922
  552   2HA   GLY  74          2HA       GLY  74   8.738  11.272  11.669
  553    H    ASP  75           H        ASP  75  10.519  12.241  12.327
  554    HA   ASP  75           HA       ASP  75  11.730  14.266  10.565
  555   1HB   ASP  75          2HB       ASP  75  10.882  15.410  12.532
  556   2HB   ASP  75          1HB       ASP  75  11.682  14.253  13.590
  557    H    VAL  76           H        VAL  76  13.927  14.145  10.283
  558    HA   VAL  76           HA       VAL  76  15.180  11.687  11.307
  559    HB   VAL  76           HB       VAL  76  14.892  11.822   8.834
  560   1HG1  VAL  76          1HG1      VAL  76  15.095  14.115   8.352
  561   2HG1  VAL  76          2HG1      VAL  76  16.661  14.228   9.157
  562   3HG1  VAL  76          3HG1      VAL  76  16.515  13.355   7.631
  563   1HG2  VAL  76          1HG2      VAL  76  16.926  10.840   8.350
  564   2HG2  VAL  76          2HG2      VAL  76  17.826  11.942   9.392
  565   3HG2  VAL  76          3HG2      VAL  76  16.838  10.666  10.104
  566    H    MET  77           H        MET  77  17.288  11.766  12.102
  567    HA   MET  77           HA       MET  77  18.070  14.137  13.415
  568   1HB   MET  77          2HB       MET  77  19.590  11.593  12.858
  569   2HB   MET  77          1HB       MET  77  20.169  12.884  13.907
  570   1HG   MET  77          2HG       MET  77  17.929  12.569  15.129
  571   2HG   MET  77          1HG       MET  77  17.873  11.029  14.294
  572   1HE   MET  77          1HE       MET  77  21.964  11.245  16.018
  573   2HE   MET  77          2HE       MET  77  21.410  10.449  14.545
  574   3HE   MET  77          3HE       MET  77  21.274  12.200  14.705
  575    H    VAL  78           H        VAL  78  18.652  15.865  12.286
  576    HA   VAL  78           HA       VAL  78  19.606  15.834   9.676
  577    HB   VAL  78           HB       VAL  78  20.487  18.270  10.594
  578   1HG1  VAL  78          1HG1      VAL  78  18.244  17.177   9.134
  579   2HG1  VAL  78          2HG1      VAL  78  17.810  18.656   9.994
  580   3HG1  VAL  78          3HG1      VAL  78  19.158  18.661   8.858
  581   1HG2  VAL  78          1HG2      VAL  78  19.528  17.569  12.858
  582   2HG2  VAL  78          2HG2      VAL  78  19.022  19.130  12.215
  583   3HG2  VAL  78          3HG2      VAL  78  17.942  17.740  12.103
  584    H    VAL  79           H        VAL  79  21.414  14.841   9.132
  585    HA   VAL  79           HA       VAL  79  23.843  15.166  10.708
  586    HB   VAL  79           HB       VAL  79  23.170  12.924   9.851
  587   1HG1  VAL  79          1HG1      VAL  79  23.020  14.345   7.351
  588   2HG1  VAL  79          2HG1      VAL  79  24.080  12.941   7.220
  589   3HG1  VAL  79          3HG1      VAL  79  22.418  12.742   7.776
  590   1HG2  VAL  79          1HG2      VAL  79  25.520  13.465  10.400
  591   2HG2  VAL  79          2HG2      VAL  79  25.357  12.210   9.171
  592   3HG2  VAL  79          3HG2      VAL  79  25.794  13.852   8.700
  593    H    GLY  80           H        GLY  80  22.850  17.493   9.515
  594   1HA   GLY  80          1HA       GLY  80  23.959  19.323   8.550
  595   2HA   GLY  80          2HA       GLY  80  25.083  18.208   7.781
  596    H    GLU  81           H        GLU  81  23.794  16.600   6.299
  597    HA   GLU  81           HA       GLU  81  21.581  17.787   4.885
  598   1HB   GLU  81          2HB       GLU  81  23.021  17.399   2.675
  599   2HB   GLU  81          1HB       GLU  81  23.009  18.943   3.515
  600   1HG   GLU  81          2HG       GLU  81  25.036  17.769   4.802
  601   2HG   GLU  81          1HG       GLU  81  25.156  16.933   3.254
  602    HA   PRO  82           HA       PRO  82  21.736  13.213   5.010
  603   1HB   PRO  82          2HB       PRO  82  18.938  13.265   5.713
  604   2HB   PRO  82          1HB       PRO  82  20.308  12.729   6.682
  605   1HG   PRO  82          2HG       PRO  82  18.826  14.968   7.234
  606   2HG   PRO  82          1HG       PRO  82  20.512  14.747   7.734
  607   1HD   PRO  82          2HD       PRO  82  19.403  16.314   5.441
  608   2HD   PRO  82          1HD       PRO  82  20.762  16.700   6.520
  609    H    THR  83           H        THR  83  21.006  11.705   3.589
  610    HA   THR  83           HA       THR  83  19.575  12.637   1.239
  611    HB   THR  83           HB       THR  83  19.963   9.891   0.986
  612    HG1  THR  83           1HG      THR  83  21.762   9.374   2.023
  613   1HG2  THR  83          1HG2      THR  83  21.760  10.530  -0.567
  614   2HG2  THR  83          2HG2      THR  83  21.766  12.156   0.117
  615   3HG2  THR  83          3HG2      THR  83  20.347  11.569  -0.750
  616    H    LEU  84           H        LEU  84  18.880  11.379   4.215
  617    HA   LEU  84           HA       LEU  84  16.345  10.199   3.313
  618   1HB   LEU  84          2HB       LEU  84  16.859   9.392   5.959
  619   2HB   LEU  84          1HB       LEU  84  16.881   8.400   4.516
  620    HG   LEU  84           HG       LEU  84  19.368   9.868   4.853
  621   1HD1  LEU  84          1HD1      LEU  84  20.188   8.842   6.817
  622   2HD1  LEU  84          2HD1      LEU  84  18.641   9.571   7.246
  623   3HD1  LEU  84          3HD1      LEU  84  18.752   7.831   6.976
  624   1HD2  LEU  84          1HD2      LEU  84  18.888   7.906   3.360
  625   2HD2  LEU  84          2HD2      LEU  84  20.334   7.755   4.361
  626   3HD2  LEU  84          3HD2      LEU  84  18.857   6.902   4.810
  627    H    MET  85           H        MET  85  14.964  11.916   3.501
  628    HA   MET  85           HA       MET  85  14.970  13.465   5.992
  629   1HB   MET  85          2HB       MET  85  14.647  14.453   3.584
  630   2HB   MET  85          1HB       MET  85  12.997  13.873   3.766
  631   1HG   MET  85          2HG       MET  85  12.901  15.190   5.915
  632   2HG   MET  85          1HG       MET  85  14.431  15.919   5.431
  633   1HE   MET  85          1HE       MET  85  12.459  17.720   6.197
  634   2HE   MET  85          2HE       MET  85  11.574  18.608   4.955
  635   3HE   MET  85          3HE       MET  85  10.895  17.127   5.633
  636    H    GLY  86           H        GLY  86  13.033  11.323   4.035
  637   1HA   GLY  86          1HA       GLY  86  11.569  10.535   6.464
  638   2HA   GLY  86          2HA       GLY  86  10.731  10.676   4.918
  639    H    GLY  87           H        GLY  87  10.235   8.361   5.191
  640   1HA   GLY  87          1HA       GLY  87  12.380   6.446   5.105
  641   2HA   GLY  87          2HA       GLY  87  10.677   6.124   4.797
  642    H    GLU  88           H        GLU  88  10.251   7.968   2.747
  643    HA   GLU  88           HA       GLU  88  11.357   6.513   0.556
  644   1HB   GLU  88          2HB       GLU  88   9.544   8.922   0.577
  645   2HB   GLU  88          1HB       GLU  88   9.835   7.847  -0.787
  646   1HG   GLU  88          2HG       GLU  88   7.883   7.020   0.006
  647   2HG   GLU  88          1HG       GLU  88   9.016   6.007   0.866
  648    H    PHE  89           H        PHE  89  13.504   7.516   1.639
  649    HA   PHE  89           HA       PHE  89  14.716   9.809   1.446
  650   1HB   PHE  89          2HB       PHE  89  16.033   7.753  -0.264
  651   2HB   PHE  89          1HB       PHE  89  16.724   8.770   0.992
  652    HD1  PHE  89           1HD      PHE  89  15.697   8.266   3.415
  653    HD2  PHE  89           2HD      PHE  89  15.854   5.526   0.168
  654    HE1  PHE  89           1HE      PHE  89  15.551   6.389   4.996
  655    HE2  PHE  89           2HE      PHE  89  15.713   3.645   1.744
  656    HZ   PHE  89           HZ       PHE  89  15.561   4.076   4.158
  657    H    GLY  90           H        GLY  90  14.892   7.984  -1.523
  658   1HA   GLY  90          1HA       GLY  90  14.464  10.459  -3.057
  659   2HA   GLY  90          2HA       GLY  90  15.569   9.184  -3.570
  660    H    ASP  91           H        ASP  91  12.241  10.072  -3.111
  661    HA   ASP  91           HA       ASP  91  11.107   7.626  -3.944
  662   1HB   ASP  91          2HB       ASP  91   9.042   9.201  -4.306
  663   2HB   ASP  91          1HB       ASP  91   9.638   8.900  -2.679
  664    H    GLU  92           H        GLU  92   9.945  10.369  -5.632
  665    HA   GLU  92           HA       GLU  92   9.814  11.025  -7.784
  666   1HB   GLU  92          2HB       GLU  92  12.480   9.645  -7.816
  667   2HB   GLU  92          1HB       GLU  92  11.821  10.401  -9.261
  668   1HG   GLU  92          2HG       GLU  92  12.352  12.439  -8.560
  669   2HG   GLU  92          1HG       GLU  92  11.689  12.147  -6.953
  670    H    ASP  93           H        ASP  93  10.675   7.622  -7.542
  671    HA   ASP  93           HA       ASP  93   9.248   7.092 -10.055
  672   1HB   ASP  93          2HB       ASP  93  11.739   6.292  -9.175
  673   2HB   ASP  93          1HB       ASP  93  10.746   4.869  -8.884
  674    H    GLU  94           H        GLU  94   7.759   7.523  -7.656
  675    HA   GLU  94           HA       GLU  94   6.811   4.809  -7.038
  676   1HB   GLU  94          2HB       GLU  94   5.584   6.548  -5.246
  677   2HB   GLU  94          1HB       GLU  94   6.945   5.485  -4.916
  678   1HG   GLU  94          2HG       GLU  94   7.772   7.487  -4.201
  679   2HG   GLU  94          1HG       GLU  94   8.348   7.468  -5.867
  680    H    ARG  95           H        ARG  95   4.748   4.227  -7.373
  681    HA   ARG  95           HA       ARG  95   3.025   6.111  -8.815
  682   1HB   ARG  95          2HB       ARG  95   3.618   3.569  -9.447
  683   2HB   ARG  95          1HB       ARG  95   2.223   3.277  -8.419
  684   1HG   ARG  95          2HG       ARG  95   0.792   4.491  -9.837
  685   2HG   ARG  95          1HG       ARG  95   2.148   5.206 -10.715
  686   1HD   ARG  95          2HD       ARG  95   2.523   2.462 -10.953
  687   2HD   ARG  95          1HD       ARG  95   0.785   2.692 -11.147
  688    HE   ARG  95           HE       ARG  95   1.256   4.198 -12.974
  689   1HH1  ARG  95          2HH1      ARG  95   3.944   2.258 -11.843
  690   2HH1  ARG  95          1HH1      ARG  95   4.830   2.388 -13.333
  691   1HH2  ARG  95          2HH2      ARG  95   2.394   4.352 -14.930
  692   2HH2  ARG  95          1HH2      ARG  95   3.927   3.556 -15.113
  693    H    LEU  96           H        LEU  96   3.631   5.172  -5.759
  694    HA   LEU  96           HA       LEU  96   2.572   5.238  -3.765
  695   1HB   LEU  96          2HB       LEU  96   0.296   6.693  -5.082
  696   2HB   LEU  96          1HB       LEU  96   0.868   6.828  -3.432
  697    HG   LEU  96           HG       LEU  96   2.468   7.751  -5.814
  698   1HD1  LEU  96          1HD1      LEU  96   1.036   9.441  -5.997
  699   2HD1  LEU  96          2HD1      LEU  96   0.168   8.955  -4.540
  700   3HD1  LEU  96          3HD1      LEU  96   1.598   9.979  -4.414
  701   1HD2  LEU  96          1HD2      LEU  96   4.009   8.519  -4.355
  702   2HD2  LEU  96          2HD2      LEU  96   2.816   8.882  -3.110
  703   3HD2  LEU  96          3HD2      LEU  96   3.366   7.224  -3.345
  704    H    ILE  97           H        ILE  97  -0.205   5.241  -3.195
  705    HA   ILE  97           HA       ILE  97  -1.542   3.169  -4.596
  706    HB   ILE  97           HB       ILE  97  -1.780   1.987  -2.146
  707   1HG1  ILE  97          2HG1      ILE  97   1.016   1.620  -2.146
  708   2HG1  ILE  97          1HG1      ILE  97   0.735   3.358  -2.172
  709   1HG2  ILE  97          1HG2      ILE  97  -1.653   0.865  -4.309
  710   2HG2  ILE  97          2HG2      ILE  97   0.083   1.165  -4.367
  711   3HG2  ILE  97          3HG2      ILE  97  -0.587   0.105  -3.128
  712   1HD1  ILE  97          1HD1      ILE  97   0.417   1.462  -0.022
  713   2HD1  ILE  97          2HD1      ILE  97   0.484   3.223   0.028
  714   3HD1  ILE  97          3HD1      ILE  97  -1.048   2.408  -0.283
  715    H    THR  98           H        THR  98  -3.642   3.606  -4.439
  716    HA   THR  98           HA       THR  98  -4.440   5.669  -2.599
  717    HB   THR  98           HB       THR  98  -6.667   4.938  -4.094
  718    HG1  THR  98           1HG      THR  98  -5.974   4.331  -6.049
  719   1HG2  THR  98          1HG2      THR  98  -4.512   6.991  -4.511
  720   2HG2  THR  98          2HG2      THR  98  -6.057   7.201  -3.686
  721   3HG2  THR  98          3HG2      THR  98  -6.013   6.970  -5.436
  722    H    ARG  99           H        ARG  99  -5.418   5.320  -0.743
  723    HA   ARG  99           HA       ARG  99  -6.417   2.731   0.037
  724   1HB   ARG  99          2HB       ARG  99  -6.000   5.356   1.282
  725   2HB   ARG  99          1HB       ARG  99  -7.469   4.560   1.821
  726   1HG   ARG  99          2HG       ARG  99  -4.629   3.745   2.187
  727   2HG   ARG  99          1HG       ARG  99  -5.933   3.844   3.369
  728   1HD   ARG  99          2HD       ARG  99  -6.781   1.940   1.520
  729   2HD   ARG  99          1HD       ARG  99  -5.067   1.609   1.753
  730    HE   ARG  99           HE       ARG  99  -7.161   1.058   3.579
  731   1HH1  ARG  99          2HH1      ARG  99  -3.808   2.125   3.503
  732   2HH1  ARG  99          1HH1      ARG  99  -3.468   1.502   5.095
  733   1HH2  ARG  99          2HH2      ARG  99  -6.696   0.229   5.620
  734   2HH2  ARG  99          1HH2      ARG  99  -5.095   0.428   6.285
  735    H    LEU 100           H        LEU 100  -8.020   2.199  -1.410
  736    HA   LEU 100           HA       LEU 100 -10.097   4.182  -1.876
  737   1HB   LEU 100          2HB       LEU 100  -8.749   2.589  -3.597
  738   2HB   LEU 100          1HB       LEU 100 -10.210   1.645  -3.352
  739    HG   LEU 100           HG       LEU 100 -11.126   4.241  -3.790
  740   1HD1  LEU 100          1HD1      LEU 100  -9.945   4.460  -6.156
  741   2HD1  LEU 100          2HD1      LEU 100  -9.304   5.237  -4.707
  742   3HD1  LEU 100          3HD1      LEU 100  -8.613   3.716  -5.269
  743   1HD2  LEU 100          1HD2      LEU 100 -12.334   2.438  -4.646
  744   2HD2  LEU 100          2HD2      LEU 100 -11.704   3.248  -6.080
  745   3HD2  LEU 100          3HD2      LEU 100 -10.932   1.777  -5.487
  746    H    GLU 101           H        GLU 101 -12.236   3.298  -2.353
  747    HA   GLU 101           HA       GLU 101 -13.139   1.656  -0.103
  748   1HB   GLU 101          2HB       GLU 101 -15.162   2.998  -1.735
  749   2HB   GLU 101          1HB       GLU 101 -14.913   3.044   0.006
  750   1HG   GLU 101          2HG       GLU 101 -14.445   5.205  -0.420
  751   2HG   GLU 101          1HG       GLU 101 -12.846   4.557  -0.756
  752    H    ASN 102           H        ASN 102 -14.256  -0.228  -0.452
  753    HA   ASN 102           HA       ASN 102 -14.230  -1.207  -3.195
  754   1HB   ASN 102          2HB       ASN 102 -13.387  -2.491  -1.092
  755   2HB   ASN 102          1HB       ASN 102 -15.094  -2.858  -0.845
  756   1HD2  ASN 102          1HD2      ASN 102 -14.170  -5.059  -1.104
  757   2HD2  ASN 102          2HD2      ASN 102 -14.073  -5.714  -2.713
  758    H    THR 103           H        THR 103 -16.012  -2.336  -4.086
  759    HA   THR 103           HA       THR 103 -18.283  -0.944  -4.430
  760    HB   THR 103           HB       THR 103 -18.198  -3.955  -4.449
  761    HG1  THR 103           1HG      THR 103 -17.215  -2.040  -6.330
  762   1HG2  THR 103          1HG2      THR 103 -19.711  -3.582  -6.448
  763   2HG2  THR 103          2HG2      THR 103 -19.855  -1.909  -5.906
  764   3HG2  THR 103          3HG2      THR 103 -20.397  -3.226  -4.863
  765    H    GLN 104           H        GLN 104 -18.127  -3.779  -2.301
  766    HA   GLN 104           HA       GLN 104 -20.754  -3.649  -1.443
  767   1HB   GLN 104          2HB       GLN 104 -19.680  -5.009   0.596
  768   2HB   GLN 104          1HB       GLN 104 -19.940  -5.710  -0.995
  769   1HG   GLN 104          2HG       GLN 104 -17.379  -4.339  -0.681
  770   2HG   GLN 104          1HG       GLN 104 -17.593  -5.748   0.360
  771   1HE2  GLN 104          1HE2      GLN 104 -17.975  -7.770  -0.598
  772   2HE2  GLN 104          2HE2      GLN 104 -17.499  -8.084  -2.242
  773    H    PHE 105           H        PHE 105 -18.419  -1.407  -0.581
  774    HA   PHE 105           HA       PHE 105 -19.946  -0.763   1.837
  775   1HB   PHE 105          2HB       PHE 105 -17.424  -1.619   2.013
  776   2HB   PHE 105          1HB       PHE 105 -17.090   0.071   1.653
  777    HD1  PHE 105           1HD      PHE 105 -20.012  -1.053   3.581
  778    HD2  PHE 105           2HD      PHE 105 -16.092   0.591   3.749
  779    HE1  PHE 105           1HE      PHE 105 -20.358  -0.479   5.946
  780    HE2  PHE 105           2HE      PHE 105 -16.432   1.172   6.112
  781    HZ   PHE 105           HZ       PHE 105 -18.568   0.639   7.215
  782    H    ASP 106           H        ASP 106 -17.875   1.532   1.819
  783    HA   ASP 106           HA       ASP 106 -18.246   3.178  -0.387
  784   1HB   ASP 106          2HB       ASP 106 -20.627   3.129   0.549
  785   2HB   ASP 106          1HB       ASP 106 -19.999   4.048   1.905
  786    H    ALA 107           H        ALA 107 -18.724   4.044   2.987
  787    HA   ALA 107           HA       ALA 107 -17.546   5.359   4.426
  788   1HB   ALA 107          1HB       ALA 107 -16.117   3.699   4.992
  789   2HB   ALA 107          2HB       ALA 107 -15.610   3.415   3.326
  790   3HB   ALA 107          3HB       ALA 107 -14.942   4.772   4.232
  791    H    ALA 108           H        ALA 108 -18.070   6.579   1.840
  792    HA   ALA 108           HA       ALA 108 -15.871   8.526   1.869
  793   1HB   ALA 108          1HB       ALA 108 -15.704   8.606  -0.469
  794   2HB   ALA 108          2HB       ALA 108 -15.739   6.889  -0.071
  795   3HB   ALA 108          3HB       ALA 108 -17.188   7.680  -0.692
  796    H    ASN 109           H        ASN 109 -19.084   8.005   0.366
  797    HA   ASN 109           HA       ASN 109 -19.848  10.672   1.353
  798   1HB   ASN 109          2HB       ASN 109 -19.052  10.534  -1.141
  799   2HB   ASN 109          1HB       ASN 109 -20.650   9.861  -1.412
  800   1HD2  ASN 109          1HD2      ASN 109 -18.833  12.635  -0.552
  801   2HD2  ASN 109          2HD2      ASN 109 -20.124  13.798  -0.662
  802    H    GLY 110           H        GLY 110 -20.654   7.421   0.767
  803   1HA   GLY 110          1HA       GLY 110 -23.518   7.818   0.786
  804   2HA   GLY 110          2HA       GLY 110 -22.671   6.277   0.811
  805    H    ILE 111           H        ILE 111 -24.424   5.802   2.366
  806    HA   ILE 111           HA       ILE 111 -24.052   6.951   5.033
  807    HB   ILE 111           HB       ILE 111 -26.053   4.810   4.351
  808   1HG1  ILE 111          2HG1      ILE 111 -27.381   7.287   4.259
  809   2HG1  ILE 111          1HG1      ILE 111 -25.947   7.486   3.255
  810   1HG2  ILE 111          1HG2      ILE 111 -26.921   5.236   6.362
  811   2HG2  ILE 111          2HG2      ILE 111 -25.404   6.072   6.696
  812   3HG2  ILE 111          3HG2      ILE 111 -26.810   6.982   6.141
  813   1HD1  ILE 111          1HD1      ILE 111 -26.677   5.252   2.190
  814   2HD1  ILE 111          2HD1      ILE 111 -28.243   5.615   2.916
  815   3HD1  ILE 111          3HD1      ILE 111 -27.527   6.737   1.758
  816    H    ASP 112           H        ASP 112 -23.046   4.341   3.160
  817    HA   ASP 112           HA       ASP 112 -22.654   2.451   5.307
  818   1HB   ASP 112          2HB       ASP 112 -22.384   2.460   2.417
  819   2HB   ASP 112          1HB       ASP 112 -20.981   1.726   3.185
  820    H    ASP 113           H        ASP 113 -21.606   4.297   6.529
  821    HA   ASP 113           HA       ASP 113 -18.759   4.582   5.852
  822   1HB   ASP 113          2HB       ASP 113 -20.238   6.641   6.065
  823   2HB   ASP 113          1HB       ASP 113 -20.355   6.277   7.783
  824    H    GLU 114           H        GLU 114 -17.175   4.149   7.387
  825    HA   GLU 114           HA       GLU 114 -18.098   2.543   9.661
  826   1HB   GLU 114          2HB       GLU 114 -16.146   2.095   7.692
  827   2HB   GLU 114          1HB       GLU 114 -15.261   2.408   9.177
  828   1HG   GLU 114          2HG       GLU 114 -16.989   0.702  10.179
  829   2HG   GLU 114          1HG       GLU 114 -17.105   0.181   8.499
  Start of MODEL   16
    1   1H    GLY   1          1H        GLY   1 -20.996 -10.184 -11.756
    2   2H    GLY   1          2H        GLY   1 -20.349 -11.417 -10.789
    3   3H    GLY   1          3H        GLY   1 -19.786 -11.201 -12.370
    4   1HA   GLY   1          2HA       GLY   1 -18.924  -9.009 -11.764
    5   2HA   GLY   1          1HA       GLY   1 -19.443  -9.312 -10.113
    6    H    SER   2           H        SER   2 -16.905  -9.498 -12.245
    7    HA   SER   2           HA       SER   2 -15.564 -11.806 -11.238
    8   1HB   SER   2          2HB       SER   2 -13.774  -9.807 -12.309
    9   2HB   SER   2          1HB       SER   2 -14.200 -11.389 -12.968
   10    HG   SER   2           HG       SER   2 -15.018  -8.934 -13.753
   11    H    LEU   3           H        LEU   3 -14.632 -12.000  -9.331
   12    HA   LEU   3           HA       LEU   3 -14.410  -9.792  -7.536
   13   1HB   LEU   3          2HB       LEU   3 -13.125 -12.480  -7.150
   14   2HB   LEU   3          1HB       LEU   3 -13.668 -11.356  -5.922
   15    HG   LEU   3           HG       LEU   3 -15.693 -12.530  -7.769
   16   1HD1  LEU   3          1HD1      LEU   3 -14.703 -14.541  -7.219
   17   2HD1  LEU   3          2HD1      LEU   3 -14.197 -13.978  -5.627
   18   3HD1  LEU   3          3HD1      LEU   3 -15.894 -14.348  -5.932
   19   1HD2  LEU   3          1HD2      LEU   3 -17.107 -12.326  -5.808
   20   2HD2  LEU   3          2HD2      LEU   3 -15.722 -11.816  -4.841
   21   3HD2  LEU   3          3HD2      LEU   3 -16.307 -10.791  -6.151
   22    H    LEU   4           H        LEU   4 -12.302  -9.498  -6.260
   23    HA   LEU   4           HA       LEU   4 -10.062  -9.420  -8.172
   24   1HB   LEU   4          2HB       LEU   4 -10.300  -7.672  -5.732
   25   2HB   LEU   4          1HB       LEU   4  -9.223  -7.480  -7.106
   26    HG   LEU   4           HG       LEU   4 -11.994  -7.370  -7.942
   27   1HD1  LEU   4          1HD1      LEU   4 -12.800  -6.375  -6.079
   28   2HD1  LEU   4          2HD1      LEU   4 -11.206  -5.849  -5.537
   29   3HD1  LEU   4          3HD1      LEU   4 -12.051  -4.947  -6.795
   30   1HD2  LEU   4          1HD2      LEU   4 -10.528  -4.913  -8.187
   31   2HD2  LEU   4          2HD2      LEU   4  -9.496  -6.280  -8.610
   32   3HD2  LEU   4          3HD2      LEU   4 -11.033  -6.042  -9.444
   33    H    THR   5           H        THR   5  -7.922  -9.648  -7.167
   34    HA   THR   5           HA       THR   5  -7.871 -11.110  -4.626
   35    HB   THR   5           HB       THR   5  -6.027 -12.504  -6.110
   36    HG1  THR   5           1HG      THR   5  -8.305 -12.563  -7.768
   37   1HG2  THR   5          1HG2      THR   5  -8.560 -13.836  -6.290
   38   2HG2  THR   5          2HG2      THR   5  -8.437 -12.996  -4.744
   39   3HG2  THR   5          3HG2      THR   5  -7.205 -14.168  -5.210
   40    H    CYS   6           H        CYS   6  -6.121 -10.542  -3.431
   41    HA   CYS   6           HA       CYS   6  -4.527  -8.405  -4.457
   42   1HB   CYS   6          2HB       CYS   6  -4.489  -7.750  -2.332
   43   2HB   CYS   6          1HB       CYS   6  -5.594  -9.072  -2.002
   44    H    GLY   7           H        GLY   7  -2.154  -8.318  -4.012
   45   1HA   GLY   7          1HA       GLY   7  -0.982 -10.778  -5.052
   46   2HA   GLY   7          2HA       GLY   7  -0.216  -9.197  -5.008
   47    H    GLY   8           H        GLY   8  -1.513  -9.589  -2.042
   48   1HA   GLY   8          1HA       GLY   8   1.078 -10.380  -0.928
   49   2HA   GLY   8          2HA       GLY   8  -0.239  -9.608  -0.055
   50    H    CYS   9           H        CYS   9  -2.356 -11.186  -0.497
   51    HA   CYS   9           HA       CYS   9  -1.502 -13.774   0.612
   52   1HB   CYS   9          2HB       CYS   9  -3.576 -13.901   1.798
   53   2HB   CYS   9          1HB       CYS   9  -2.893 -12.310   2.099
   54    H    GLN  10           H        GLN  10  -3.484 -12.160  -1.747
   55    HA   GLN  10           HA       GLN  10  -4.384 -12.818  -3.714
   56   1HB   GLN  10          2HB       GLN  10  -2.242 -14.624  -3.301
   57   2HB   GLN  10          1HB       GLN  10  -3.599 -15.566  -3.899
   58   1HG   GLN  10          2HG       GLN  10  -2.846 -13.031  -5.275
   59   2HG   GLN  10          1HG       GLN  10  -1.904 -14.494  -5.556
   60   1HE2  GLN  10          1HE2      GLN  10  -3.517 -16.481  -5.820
   61   2HE2  GLN  10          2HE2      GLN  10  -4.744 -16.217  -7.027
   62    H    GLN  11           H        GLN  11  -5.638 -13.515  -0.994
   63    HA   GLN  11           HA       GLN  11  -7.100 -15.900  -1.532
   64   1HB   GLN  11          2HB       GLN  11  -8.298 -15.493   0.509
   65   2HB   GLN  11          1HB       GLN  11  -6.600 -15.148   0.769
   66   1HG   GLN  11          2HG       GLN  11  -7.191 -13.204   1.629
   67   2HG   GLN  11          1HG       GLN  11  -7.743 -12.713   0.030
   68   1HE2  GLN  11          1HE2      GLN  11  -9.801 -15.000   0.321
   69   2HE2  GLN  11          2HE2      GLN  11 -11.065 -14.258   1.244
   70    H    ASN  12           H        ASN  12  -8.133 -12.474  -1.456
   71    HA   ASN  12           HA       ASN  12  -9.710 -12.281  -3.631
   72   1HB   ASN  12          2HB       ASN  12 -11.031 -14.224  -2.957
   73   2HB   ASN  12          1HB       ASN  12 -11.327 -13.510  -1.375
   74   1HD2  ASN  12          1HD2      ASN  12 -13.103 -12.337  -1.108
   75   2HD2  ASN  12          2HD2      ASN  12 -14.130 -11.761  -2.390
   76    H    ILE  13           H        ILE  13 -10.237 -10.167  -3.713
   77    HA   ILE  13           HA       ILE  13 -10.499  -8.701  -1.181
   78    HB   ILE  13           HB       ILE  13 -10.368  -7.392  -3.865
   79   1HG1  ILE  13          2HG1      ILE  13  -7.878  -7.760  -2.279
   80   2HG1  ILE  13          1HG1      ILE  13  -8.440  -9.113  -3.252
   81   1HG2  ILE  13          1HG2      ILE  13  -9.671  -5.492  -2.672
   82   2HG2  ILE  13          2HG2      ILE  13 -10.974  -6.190  -1.709
   83   3HG2  ILE  13          3HG2      ILE  13  -9.294  -6.436  -1.231
   84   1HD1  ILE  13          1HD1      ILE  13  -6.763  -7.471  -4.275
   85   2HD1  ILE  13          2HD1      ILE  13  -8.158  -7.967  -5.236
   86   3HD1  ILE  13          3HD1      ILE  13  -8.151  -6.392  -4.442
   87    H    GLY  14           H        GLY  14 -12.549  -8.902  -0.538
   88   1HA   GLY  14          1HA       GLY  14 -14.671  -8.285  -2.505
   89   2HA   GLY  14          2HA       GLY  14 -14.888  -9.331  -1.103
   90    H    ASP  15           H        ASP  15 -12.957  -6.613  -0.585
   91    HA   ASP  15           HA       ASP  15 -14.880  -5.507   1.255
   92   1HB   ASP  15          2HB       ASP  15 -12.224  -4.292   0.482
   93   2HB   ASP  15          1HB       ASP  15 -13.151  -4.006   1.952
   94    H    ARG  16           H        ARG  16 -15.285  -3.093   1.239
   95    HA   ARG  16           HA       ARG  16 -16.253  -2.407  -1.413
   96   1HB   ARG  16          2HB       ARG  16 -17.057  -0.294  -0.017
   97   2HB   ARG  16          1HB       ARG  16 -17.934  -1.814  -0.011
   98   1HG   ARG  16          2HG       ARG  16 -17.691  -2.003   2.174
   99   2HG   ARG  16          1HG       ARG  16 -15.938  -1.839   2.042
  100   1HD   ARG  16          2HD       ARG  16 -16.257   0.055   3.211
  101   2HD   ARG  16          1HD       ARG  16 -16.734   0.726   1.654
  102    HE   ARG  16           HE       ARG  16 -19.023   0.492   2.291
  103   1HH1  ARG  16          2HH1      ARG  16 -16.701  -0.131   4.842
  104   2HH1  ARG  16          1HH1      ARG  16 -17.880  -0.006   6.119
  105   1HH2  ARG  16          2HH2      ARG  16 -20.566   0.731   3.975
  106   2HH2  ARG  16          1HH2      ARG  16 -20.070   0.475   5.620
  107    H    TYR  17           H        TYR  17 -13.764  -1.426   0.815
  108    HA   TYR  17           HA       TYR  17 -12.754   0.361  -1.296
  109   1HB   TYR  17          2HB       TYR  17 -13.450   1.273   1.210
  110   2HB   TYR  17          1HB       TYR  17 -11.736   0.934   1.402
  111    HD1  TYR  17           1HD      TYR  17 -14.160   2.747  -0.734
  112    HD2  TYR  17           2HD      TYR  17 -10.133   2.461   0.597
  113    HE1  TYR  17           1HE      TYR  17 -13.650   4.869  -1.856
  114    HE2  TYR  17           2HE      TYR  17  -9.613   4.592  -0.519
  115    HH   TYR  17           HH       TYR  17 -11.988   6.210  -2.573
  116    H    PHE  18           H        PHE  18 -10.633   0.012  -1.875
  117    HA   PHE  18           HA       PHE  18  -9.006  -1.742  -0.236
  118   1HB   PHE  18          2HB       PHE  18  -8.749  -3.491  -1.811
  119   2HB   PHE  18          1HB       PHE  18 -10.477  -3.218  -1.661
  120    HD1  PHE  18           1HD      PHE  18  -8.006  -3.963  -3.898
  121    HD2  PHE  18           2HD      PHE  18 -11.324  -1.326  -3.473
  122    HE1  PHE  18           1HE      PHE  18  -8.185  -3.795  -6.344
  123    HE2  PHE  18           2HE      PHE  18 -11.496  -1.151  -5.915
  124    HZ   PHE  18           HZ       PHE  18  -9.929  -2.386  -7.353
  125    H    LEU  19           H        LEU  19  -6.988  -2.356  -1.893
  126    HA   LEU  19           HA       LEU  19  -6.050   0.262  -2.847
  127   1HB   LEU  19          2HB       LEU  19  -4.799  -1.778  -1.054
  128   2HB   LEU  19          1HB       LEU  19  -3.782  -0.744  -2.033
  129    HG   LEU  19           HG       LEU  19  -5.861   0.401  -0.198
  130   1HD1  LEU  19          1HD1      LEU  19  -2.985  -0.056   0.546
  131   2HD1  LEU  19          2HD1      LEU  19  -4.298   0.529   1.568
  132   3HD1  LEU  19          3HD1      LEU  19  -4.287  -1.148   1.020
  133   1HD2  LEU  19          1HD2      LEU  19  -5.002   2.380  -0.770
  134   2HD2  LEU  19          2HD2      LEU  19  -3.341   1.795  -0.658
  135   3HD2  LEU  19          3HD2      LEU  19  -4.276   1.517  -2.131
  136    H    LYS  20           H        LYS  20  -5.266   0.259  -4.870
  137    HA   LYS  20           HA       LYS  20  -3.729  -1.914  -5.862
  138   1HB   LYS  20          2HB       LYS  20  -5.321  -3.153  -6.805
  139   2HB   LYS  20          1HB       LYS  20  -6.562  -1.975  -6.421
  140   1HG   LYS  20          2HG       LYS  20  -5.041  -1.087  -8.675
  141   2HG   LYS  20          1HG       LYS  20  -5.591  -2.727  -8.940
  142   1HD   LYS  20          2HD       LYS  20  -7.881  -2.049  -8.409
  143   2HD   LYS  20          1HD       LYS  20  -7.327  -0.394  -8.144
  144   1HE   LYS  20          2HE       LYS  20  -7.257   0.052 -10.336
  145   2HE   LYS  20          1HE       LYS  20  -6.517  -1.502 -10.721
  146   1HZ   LYS  20          1HZ       LYS  20  -9.220  -0.695 -10.991
  147   2HZ   LYS  20          2HZ       LYS  20  -9.127  -2.055  -9.980
  148   3HZ   LYS  20          3HZ       LYS  20  -8.468  -2.111 -11.541
  149    H    ALA  21           H        ALA  21  -2.507  -1.272  -7.724
  150    HA   ALA  21           HA       ALA  21  -3.046   0.978  -9.319
  151   1HB   ALA  21          1HB       ALA  21  -2.713   2.123  -7.076
  152   2HB   ALA  21          2HB       ALA  21  -1.010   1.690  -7.226
  153   3HB   ALA  21          3HB       ALA  21  -1.766   2.736  -8.430
  154    H    ILE  22           H        ILE  22  -0.311  -0.485  -7.617
  155    HA   ILE  22           HA       ILE  22   1.771  -0.026  -9.236
  156    HB   ILE  22           HB       ILE  22   1.152  -2.663  -7.886
  157   1HG1  ILE  22          2HG1      ILE  22   2.901  -0.472  -6.823
  158   2HG1  ILE  22          1HG1      ILE  22   1.162  -0.407  -6.598
  159   1HG2  ILE  22          1HG2      ILE  22   3.835  -2.441  -7.767
  160   2HG2  ILE  22          2HG2      ILE  22   2.969  -3.351  -9.011
  161   3HG2  ILE  22          3HG2      ILE  22   3.520  -1.704  -9.341
  162   1HD1  ILE  22          1HD1      ILE  22   1.749  -2.931  -5.766
  163   2HD1  ILE  22          2HD1      ILE  22   3.177  -2.025  -5.265
  164   3HD1  ILE  22          3HD1      ILE  22   1.575  -1.521  -4.720
  165    H    ASP  23           H        ASP  23  -0.155  -2.945  -9.515
  166    HA   ASP  23           HA       ASP  23  -0.719  -3.075 -12.171
  167   1HB   ASP  23          2HB       ASP  23   1.857  -3.039 -12.427
  168   2HB   ASP  23          1HB       ASP  23   1.821  -4.668 -11.761
  169    H    GLN  24           H        GLN  24  -1.560  -3.703  -9.632
  170    HA   GLN  24           HA       GLN  24  -2.373  -6.455  -9.813
  171   1HB   GLN  24          2HB       GLN  24  -0.187  -5.559  -8.015
  172   2HB   GLN  24          1HB       GLN  24  -1.451  -6.507  -7.250
  173   1HG   GLN  24          2HG       GLN  24  -0.596  -8.377  -8.034
  174   2HG   GLN  24          1HG       GLN  24  -0.638  -7.761  -9.685
  175   1HE2  GLN  24          1HE2      GLN  24   1.151  -5.919  -9.926
  176   2HE2  GLN  24          2HE2      GLN  24   2.734  -6.424  -9.435
  177    H    TYR  25           H        TYR  25  -3.842  -6.935  -8.024
  178    HA   TYR  25           HA       TYR  25  -4.988  -4.485  -6.853
  179   1HB   TYR  25          2HB       TYR  25  -6.355  -7.156  -6.703
  180   2HB   TYR  25          1HB       TYR  25  -7.053  -5.542  -6.562
  181    HD1  TYR  25           1HD      TYR  25  -7.204  -8.279  -8.473
  182    HD2  TYR  25           2HD      TYR  25  -6.370  -4.126  -8.933
  183    HE1  TYR  25           1HE      TYR  25  -7.912  -8.408 -10.822
  184    HE2  TYR  25           2HE      TYR  25  -7.082  -4.247 -11.292
  185    HH   TYR  25           HH       TYR  25  -7.441  -7.108 -12.964
  186    H    TRP  26           H        TRP  26  -5.148  -4.395  -4.618
  187    HA   TRP  26           HA       TRP  26  -3.646  -6.495  -3.214
  188   1HB   TRP  26          2HB       TRP  26  -3.460  -3.511  -2.776
  189   2HB   TRP  26          1HB       TRP  26  -2.605  -4.741  -1.852
  190    HD1  TRP  26           HD       TRP  26  -2.438  -2.776  -5.064
  191    HE1  TRP  26           1HE      TRP  26  -0.252  -3.324  -6.276
  192    HE3  TRP  26           3HE      TRP  26  -0.908  -6.718  -2.203
  193    HZ2  TRP  26           2HZ      TRP  26   1.849  -5.194  -6.080
  194    HZ3  TRP  26           3HZ      TRP  26   1.207  -7.839  -2.782
  195    HH2  TRP  26           HH       TRP  26   2.559  -7.091  -4.676
  196    H    HIS  27           H        HIS  27  -3.739  -5.413  -0.741
  197    HA   HIS  27           HA       HIS  27  -6.597  -5.294  -0.084
  198   1HB   HIS  27          2HB       HIS  27  -4.551  -7.217   0.840
  199   2HB   HIS  27          1HB       HIS  27  -5.536  -6.509   2.115
  200    HD2  HIS  27           2HD      HIS  27  -8.434  -6.563   0.679
  201    HE1  HIS  27           1HE      HIS  27  -7.617 -10.689   0.198
  202    HE2  HIS  27           2HE      HIS  27  -9.446  -8.944   0.434
  203    H    GLU  28           H        GLU  28  -7.037  -4.232   1.933
  204    HA   GLU  28           HA       GLU  28  -5.668  -1.828   2.238
  205   1HB   GLU  28          2HB       GLU  28  -7.821  -3.295   3.630
  206   2HB   GLU  28          1HB       GLU  28  -7.009  -2.055   4.566
  207   1HG   GLU  28          2HG       GLU  28  -7.499  -0.829   2.145
  208   2HG   GLU  28          1HG       GLU  28  -8.940  -1.807   2.430
  209    H    ASP  29           H        ASP  29  -5.447  -4.849   4.050
  210    HA   ASP  29           HA       ASP  29  -3.374  -3.624   5.733
  211   1HB   ASP  29          2HB       ASP  29  -5.015  -4.222   7.223
  212   2HB   ASP  29          1HB       ASP  29  -5.581  -5.553   6.227
  213    H    CYS  30           H        CYS  30  -3.561  -5.639   3.169
  214    HA   CYS  30           HA       CYS  30  -1.751  -7.686   4.058
  215   1HB   CYS  30          2HB       CYS  30  -3.216  -7.055   1.575
  216   2HB   CYS  30          1HB       CYS  30  -1.726  -7.975   1.394
  217    H    LEU  31           H        LEU  31  -1.494  -4.860   1.953
  218    HA   LEU  31           HA       LEU  31   1.024  -5.272   0.948
  219   1HB   LEU  31          2HB       LEU  31  -0.516  -2.782   1.534
  220   2HB   LEU  31          1HB       LEU  31   1.133  -2.672   0.952
  221    HG   LEU  31           HG       LEU  31  -0.560  -4.456  -0.636
  222   1HD1  LEU  31          1HD1      LEU  31  -1.278  -1.592  -0.192
  223   2HD1  LEU  31          2HD1      LEU  31  -1.546  -2.345  -1.765
  224   3HD1  LEU  31          3HD1      LEU  31  -2.327  -3.005  -0.327
  225   1HD2  LEU  31          1HD2      LEU  31   1.159  -2.082  -1.362
  226   2HD2  LEU  31          2HD2      LEU  31   1.727  -3.750  -1.254
  227   3HD2  LEU  31          3HD2      LEU  31   0.527  -3.304  -2.474
  228    H    SER  32           H        SER  32   2.845  -5.663   1.932
  229    HA   SER  32           HA       SER  32   3.800  -3.823   3.971
  230   1HB   SER  32          2HB       SER  32   4.700  -6.242   4.977
  231   2HB   SER  32          1HB       SER  32   3.378  -5.282   5.644
  232    HG   SER  32           HG       SER  32   2.097  -6.524   3.932
  233    H    CYS  33           H        CYS  33   6.124  -5.421   4.572
  234    HA   CYS  33           HA       CYS  33   7.954  -4.710   2.631
  235   1HB   CYS  33          2HB       CYS  33   7.864  -6.368   5.011
  236   2HB   CYS  33          1HB       CYS  33   8.909  -7.085   3.798
  237    H    ASP  34           H        ASP  34   8.467  -5.521   0.647
  238    HA   ASP  34           HA       ASP  34   6.910  -7.643  -0.475
  239   1HB   ASP  34          2HB       ASP  34   7.781  -5.687  -1.785
  240   2HB   ASP  34          1HB       ASP  34   9.394  -6.375  -1.645
  241    H    LEU  35           H        LEU  35  10.388  -7.277  -0.001
  242    HA   LEU  35           HA       LEU  35  10.955  -9.987  -0.595
  243   1HB   LEU  35          2HB       LEU  35  12.622  -8.381  -1.050
  244   2HB   LEU  35          1HB       LEU  35  12.537  -7.703   0.565
  245    HG   LEU  35           HG       LEU  35  13.414 -10.039   1.312
  246   1HD1  LEU  35          1HD1      LEU  35  13.870 -10.048  -1.636
  247   2HD1  LEU  35          2HD1      LEU  35  15.063 -10.792  -0.571
  248   3HD1  LEU  35          3HD1      LEU  35  13.396 -11.367  -0.566
  249   1HD2  LEU  35          1HD2      LEU  35  15.491  -8.498  -0.143
  250   2HD2  LEU  35          2HD2      LEU  35  14.554  -7.657   1.091
  251   3HD2  LEU  35          3HD2      LEU  35  15.479  -9.098   1.514
  252    H    CYS  36           H        CYS  36  10.588  -8.205   2.389
  253    HA   CYS  36           HA       CYS  36  11.428 -10.506   3.931
  254   1HB   CYS  36          2HB       CYS  36  10.875  -7.880   5.186
  255   2HB   CYS  36          1HB       CYS  36  12.230  -8.987   5.423
  256    H    GLY  37           H        GLY  37   8.527  -8.697   3.344
  257   1HA   GLY  37          1HA       GLY  37   6.363  -9.108   3.980
  258   2HA   GLY  37          2HA       GLY  37   6.930 -10.656   4.592
  259    H    CYS  38           H        CYS  38   7.718  -7.339   5.656
  260    HA   CYS  38           HA       CYS  38   6.756  -8.106   8.320
  261   1HB   CYS  38          2HB       CYS  38   8.293  -5.655   8.289
  262   2HB   CYS  38          1HB       CYS  38   8.569  -7.136   9.192
  263    HG   CYS  38           HG       CYS  38   9.814  -6.256   6.145
  264    H    ARG  39           H        ARG  39   7.310  -4.786   7.228
  265    HA   ARG  39           HA       ARG  39   4.496  -4.247   6.865
  266   1HB   ARG  39          2HB       ARG  39   5.240  -4.247   9.448
  267   2HB   ARG  39          1HB       ARG  39   5.688  -2.600   9.030
  268   1HG   ARG  39          2HG       ARG  39   3.504  -2.482   9.882
  269   2HG   ARG  39          1HG       ARG  39   3.347  -2.323   8.131
  270   1HD   ARG  39          2HD       ARG  39   3.108  -4.965   8.315
  271   2HD   ARG  39          1HD       ARG  39   2.528  -4.537   9.923
  272    HE   ARG  39           HE       ARG  39   1.292  -2.998   7.845
  273   1HH1  ARG  39          2HH1      ARG  39   1.213  -6.017   9.605
  274   2HH1  ARG  39          1HH1      ARG  39  -0.469  -6.318   9.276
  275   1HH2  ARG  39          2HH2      ARG  39  -0.937  -3.381   7.407
  276   2HH2  ARG  39          1HH2      ARG  39  -1.691  -4.825   8.033
  277    H    LEU  40           H        LEU  40   4.143  -1.830   6.527
  278    HA   LEU  40           HA       LEU  40   6.497  -0.714   5.162
  279   1HB   LEU  40          2HB       LEU  40   3.567  -0.135   4.713
  280   2HB   LEU  40          1HB       LEU  40   4.896   0.584   3.823
  281    HG   LEU  40           HG       LEU  40   4.227  -2.356   3.824
  282   1HD1  LEU  40          1HD1      LEU  40   2.516  -1.648   2.548
  283   2HD1  LEU  40          2HD1      LEU  40   3.265  -0.085   2.221
  284   3HD1  LEU  40          3HD1      LEU  40   3.766  -1.510   1.311
  285   1HD2  LEU  40          1HD2      LEU  40   6.306  -2.551   3.051
  286   2HD2  LEU  40          2HD2      LEU  40   5.735  -1.730   1.598
  287   3HD2  LEU  40          3HD2      LEU  40   6.495  -0.804   2.893
  288    H    GLY  41           H        GLY  41   3.542   0.966   6.085
  289   1HA   GLY  41          1HA       GLY  41   3.672   2.262   8.286
  290   2HA   GLY  41          2HA       GLY  41   5.211   2.838   7.646
  291    H    GLU  42           H        GLU  42   4.314   2.935   4.941
  292    HA   GLU  42           HA       GLU  42   3.540   4.453   3.449
  293   1HB   GLU  42          2HB       GLU  42   1.056   4.217   5.136
  294   2HB   GLU  42          1HB       GLU  42   1.140   4.593   3.422
  295   1HG   GLU  42          2HG       GLU  42   0.824   2.432   3.042
  296   2HG   GLU  42          1HG       GLU  42   2.461   2.172   3.642
  297    H    VAL  43           H        VAL  43   5.064   5.874   5.083
  298    HA   VAL  43           HA       VAL  43   3.552   8.367   5.403
  299    HB   VAL  43           HB       VAL  43   4.956   8.773   7.538
  300   1HG1  VAL  43          1HG1      VAL  43   2.778   6.749   7.879
  301   2HG1  VAL  43          2HG1      VAL  43   3.145   8.167   8.861
  302   3HG1  VAL  43          3HG1      VAL  43   2.433   8.364   7.259
  303   1HG2  VAL  43          1HG2      VAL  43   5.761   6.976   8.741
  304   2HG2  VAL  43          2HG2      VAL  43   4.789   5.806   7.846
  305   3HG2  VAL  43          3HG2      VAL  43   6.199   6.546   7.087
  306    H    GLY  44           H        GLY  44   6.010   7.006   3.825
  307   1HA   GLY  44          1HA       GLY  44   8.098   8.946   4.310
  308   2HA   GLY  44          2HA       GLY  44   8.053   7.767   3.007
  309    H    ARG  45           H        ARG  45   5.223   9.398   3.140
  310    HA   ARG  45           HA       ARG  45   5.397  11.911   2.197
  311   1HB   ARG  45          2HB       ARG  45   6.621  10.451   0.240
  312   2HB   ARG  45          1HB       ARG  45   4.954  10.393  -0.315
  313   1HG   ARG  45          2HG       ARG  45   5.409  13.059   0.375
  314   2HG   ARG  45          1HG       ARG  45   6.862  12.534  -0.479
  315   1HD   ARG  45          2HD       ARG  45   4.015  12.426  -1.453
  316   2HD   ARG  45          1HD       ARG  45   5.334  13.401  -2.098
  317    HE   ARG  45           HE       ARG  45   5.004  10.493  -2.405
  318   1HH1  ARG  45          2HH1      ARG  45   6.580  13.500  -3.301
  319   2HH1  ARG  45          1HH1      ARG  45   7.476  12.784  -4.613
  320   1HH2  ARG  45          2HH2      ARG  45   6.188   9.552  -4.119
  321   2HH2  ARG  45          1HH2      ARG  45   7.256  10.536  -5.075
  322    H    ARG  46           H        ARG  46   3.898   9.482   0.250
  323    HA   ARG  46           HA       ARG  46   1.732   9.201   2.129
  324   1HB   ARG  46          2HB       ARG  46  -0.051   9.331   0.548
  325   2HB   ARG  46          1HB       ARG  46   0.899  10.795   0.343
  326   1HG   ARG  46          2HG       ARG  46   1.575  10.229  -1.741
  327   2HG   ARG  46          1HG       ARG  46   1.605   8.502  -1.381
  328   1HD   ARG  46          2HD       ARG  46  -0.194   8.611  -2.796
  329   2HD   ARG  46          1HD       ARG  46  -0.993   8.802  -1.236
  330    HE   ARG  46           HE       ARG  46  -0.587  11.342  -1.868
  331   1HH1  ARG  46          2HH1      ARG  46  -1.709   8.702  -3.885
  332   2HH1  ARG  46          1HH1      ARG  46  -2.687   9.722  -4.902
  333   1HH2  ARG  46          2HH2      ARG  46  -1.856  12.688  -3.208
  334   2HH2  ARG  46          1HH2      ARG  46  -2.754  11.997  -4.524
  335    H    LEU  47           H        LEU  47   4.166   8.100   0.452
  336    HA   LEU  47           HA       LEU  47   4.314   5.595   1.132
  337   1HB   LEU  47          2HB       LEU  47   2.099   5.686  -0.635
  338   2HB   LEU  47          1HB       LEU  47   3.391   4.846  -1.471
  339    HG   LEU  47           HG       LEU  47   2.706   4.048   1.328
  340   1HD1  LEU  47          1HD1      LEU  47   0.652   3.414   0.792
  341   2HD1  LEU  47          2HD1      LEU  47   0.873   3.970  -0.867
  342   3HD1  LEU  47          3HD1      LEU  47   1.334   2.328  -0.420
  343   1HD2  LEU  47          1HD2      LEU  47   3.287   1.789   0.193
  344   2HD2  LEU  47          2HD2      LEU  47   3.996   2.796  -1.082
  345   3HD2  LEU  47          3HD2      LEU  47   4.583   2.916   0.585
  346    H    TYR  48           H        TYR  48   5.356   4.157  -0.903
  347    HA   TYR  48           HA       TYR  48   6.902   5.760  -2.742
  348   1HB   TYR  48          2HB       TYR  48   8.010   5.568  -0.275
  349   2HB   TYR  48          1HB       TYR  48   8.594   4.062  -0.969
  350    HD1  TYR  48           1HD      TYR  48  10.818   4.238  -1.580
  351    HD2  TYR  48           2HD      TYR  48   8.205   7.535  -2.304
  352    HE1  TYR  48           1HE      TYR  48  12.663   5.472  -2.630
  353    HE2  TYR  48           2HE      TYR  48  10.049   8.769  -3.358
  354    HH   TYR  48           HH       TYR  48  12.386   8.833  -3.485
  355    H    TYR  49           H        TYR  49   7.773   4.381  -4.429
  356    HA   TYR  49           HA       TYR  49   8.153   1.604  -4.050
  357   1HB   TYR  49          2HB       TYR  49   6.369   0.544  -4.877
  358   2HB   TYR  49          1HB       TYR  49   5.487   2.025  -4.456
  359    HD1  TYR  49           1HD      TYR  49   5.846  -0.380  -6.900
  360    HD2  TYR  49           2HD      TYR  49   5.735   3.859  -6.541
  361    HE1  TYR  49           1HE      TYR  49   5.130  -0.203  -9.244
  362    HE2  TYR  49           2HE      TYR  49   5.029   4.044  -8.886
  363    HH   TYR  49           HH       TYR  49   5.429   2.104 -11.086
  364    H    LYS  50           H        LYS  50   9.159   0.633  -5.960
  365    HA   LYS  50           HA       LYS  50  10.727   2.590  -7.305
  366   1HB   LYS  50          2HB       LYS  50  10.696  -0.316  -6.997
  367   2HB   LYS  50          1HB       LYS  50  11.219   0.189  -8.593
  368   1HG   LYS  50          2HG       LYS  50  12.567   1.835  -6.761
  369   2HG   LYS  50          1HG       LYS  50  12.661   0.187  -6.133
  370   1HD   LYS  50          2HD       LYS  50  13.204   0.652  -9.026
  371   2HD   LYS  50          1HD       LYS  50  14.439   1.100  -7.847
  372   1HE   LYS  50          2HE       LYS  50  14.361  -1.186  -6.935
  373   2HE   LYS  50          1HE       LYS  50  13.175  -1.620  -8.165
  374   1HZ   LYS  50          1HZ       LYS  50  14.731  -1.685  -9.779
  375   2HZ   LYS  50          2HZ       LYS  50  15.769  -2.008  -8.474
  376   3HZ   LYS  50          3HZ       LYS  50  15.668  -0.440  -9.108
  377    H    LEU  51           H        LEU  51  11.041   2.623  -9.675
  378    HA   LEU  51           HA       LEU  51   9.185   3.743 -11.084
  379   1HB   LEU  51          2HB       LEU  51  10.193   3.101 -13.136
  380   2HB   LEU  51          1HB       LEU  51  11.449   3.184 -11.920
  381    HG   LEU  51           HG       LEU  51  10.191   0.557 -12.654
  382   1HD1  LEU  51          1HD1      LEU  51  12.700   0.915 -13.948
  383   2HD1  LEU  51          2HD1      LEU  51  11.130   0.531 -14.653
  384   3HD1  LEU  51          3HD1      LEU  51  11.609   2.214 -14.431
  385   1HD2  LEU  51          1HD2      LEU  51  12.373   1.481 -10.979
  386   2HD2  LEU  51          2HD2      LEU  51  11.537  -0.072 -10.997
  387   3HD2  LEU  51          3HD2      LEU  51  12.870   0.227 -12.114
  388    H    GLY  52           H        GLY  52   9.345   0.198 -11.192
  389   1HA   GLY  52          1HA       GLY  52   6.440   0.147 -11.381
  390   2HA   GLY  52          2HA       GLY  52   7.323  -0.687 -12.656
  391    H    ARG  53           H        ARG  53   8.321  -0.409  -9.320
  392    HA   ARG  53           HA       ARG  53   7.891  -3.283  -8.940
  393   1HB   ARG  53          2HB       ARG  53  10.474  -1.808  -8.394
  394   2HB   ARG  53          1HB       ARG  53  10.172  -3.515  -8.094
  395   1HG   ARG  53          2HG       ARG  53   9.544  -3.288 -10.728
  396   2HG   ARG  53          1HG       ARG  53  10.859  -2.145 -10.573
  397   1HD   ARG  53          2HD       ARG  53  12.132  -3.964 -10.913
  398   2HD   ARG  53          1HD       ARG  53  11.889  -4.178  -9.176
  399    HE   ARG  53           HE       ARG  53  10.021  -5.399 -11.052
  400   1HH1  ARG  53          2HH1      ARG  53  12.547  -5.721  -8.660
  401   2HH1  ARG  53          1HH1      ARG  53  12.248  -7.408  -8.368
  402   1HH2  ARG  53          2HH2      ARG  53   9.653  -7.640 -10.736
  403   2HH2  ARG  53          1HH2      ARG  53  10.611  -8.511  -9.571
  404    H    LYS  54           H        LYS  54   6.691  -3.460  -7.196
  405    HA   LYS  54           HA       LYS  54   6.872  -1.510  -5.023
  406   1HB   LYS  54          2HB       LYS  54   5.198  -3.338  -4.029
  407   2HB   LYS  54          1HB       LYS  54   4.659  -2.116  -5.171
  408   1HG   LYS  54          2HG       LYS  54   3.809  -3.822  -6.320
  409   2HG   LYS  54          1HG       LYS  54   5.469  -4.129  -6.832
  410   1HD   LYS  54          2HD       LYS  54   5.603  -5.516  -4.632
  411   2HD   LYS  54          1HD       LYS  54   3.841  -5.505  -4.731
  412   1HE   LYS  54          2HE       LYS  54   3.818  -6.986  -6.402
  413   2HE   LYS  54          1HE       LYS  54   5.124  -6.164  -7.256
  414   1HZ   LYS  54          1HZ       LYS  54   6.325  -7.945  -6.707
  415   2HZ   LYS  54          2HZ       LYS  54   5.212  -8.461  -5.537
  416   3HZ   LYS  54          3HZ       LYS  54   6.382  -7.301  -5.135
  417    H    LEU  55           H        LEU  55   8.749  -1.776  -3.980
  418    HA   LEU  55           HA       LEU  55   9.169  -4.304  -2.576
  419   1HB   LEU  55          2HB       LEU  55  10.963  -5.034  -3.703
  420   2HB   LEU  55          1HB       LEU  55  10.508  -3.912  -4.970
  421    HG   LEU  55           HG       LEU  55  12.093  -2.628  -2.895
  422   1HD1  LEU  55          1HD1      LEU  55  13.882  -3.937  -2.721
  423   2HD1  LEU  55          2HD1      LEU  55  12.863  -5.231  -3.358
  424   3HD1  LEU  55          3HD1      LEU  55  13.886  -4.296  -4.449
  425   1HD2  LEU  55          1HD2      LEU  55  12.668  -1.381  -4.640
  426   2HD2  LEU  55          2HD2      LEU  55  13.245  -2.785  -5.538
  427   3HD2  LEU  55          3HD2      LEU  55  11.540  -2.339  -5.600
  428    H    CYS  56           H        CYS  56  10.602  -3.998  -0.725
  429    HA   CYS  56           HA       CYS  56  10.204  -1.481   0.424
  430   1HB   CYS  56          2HB       CYS  56  12.366  -2.686   1.750
  431   2HB   CYS  56          1HB       CYS  56  10.668  -2.691   2.213
  432    H    ARG  57           H        ARG  57  11.421   0.268   0.620
  433    HA   ARG  57           HA       ARG  57  13.530   0.651  -1.273
  434   1HB   ARG  57          2HB       ARG  57  11.713   2.317  -0.334
  435   2HB   ARG  57          1HB       ARG  57  12.955   2.644   0.868
  436   1HG   ARG  57          2HG       ARG  57  13.766   2.677  -1.981
  437   2HG   ARG  57          1HG       ARG  57  12.777   4.013  -1.386
  438   1HD   ARG  57          2HD       ARG  57  14.661   3.665   0.591
  439   2HD   ARG  57          1HD       ARG  57  15.571   3.405  -0.898
  440    HE   ARG  57           HE       ARG  57  14.354   5.871   0.037
  441   1HH1  ARG  57          2HH1      ARG  57  15.665   4.155  -2.724
  442   2HH1  ARG  57          1HH1      ARG  57  16.095   5.600  -3.585
  443   1HH2  ARG  57          2HH2      ARG  57  14.936   7.758  -1.069
  444   2HH2  ARG  57          1HH2      ARG  57  15.697   7.670  -2.626
  445    H    ARG  58           H        ARG  58  13.309   0.229   2.193
  446    HA   ARG  58           HA       ARG  58  16.064   0.885   2.642
  447   1HB   ARG  58          2HB       ARG  58  14.033  -0.505   4.400
  448   2HB   ARG  58          1HB       ARG  58  15.647  -0.050   4.925
  449   1HG   ARG  58          2HG       ARG  58  13.248   1.611   4.514
  450   2HG   ARG  58          1HG       ARG  58  14.544   1.754   5.700
  451   1HD   ARG  58          2HD       ARG  58  16.002   2.496   3.716
  452   2HD   ARG  58          1HD       ARG  58  14.479   2.719   2.855
  453    HE   ARG  58           HE       ARG  58  13.908   4.455   4.354
  454   1HH1  ARG  58          2HH1      ARG  58  17.135   3.203   4.866
  455   2HH1  ARG  58          1HH1      ARG  58  17.650   4.572   5.811
  456   1HH2  ARG  58          2HH2      ARG  58  14.551   6.219   5.621
  457   2HH2  ARG  58          1HH2      ARG  58  16.174   6.285   6.246
  458    H    ASP  59           H        ASP  59  14.202  -2.113   2.298
  459    HA   ASP  59           HA       ASP  59  16.614  -3.695   2.534
  460   1HB   ASP  59          2HB       ASP  59  13.894  -4.667   1.680
  461   2HB   ASP  59          1HB       ASP  59  15.230  -5.636   2.252
  462    H    TYR  60           H        TYR  60  15.297  -1.786   0.196
  463    HA   TYR  60           HA       TYR  60  16.142  -3.301  -2.132
  464   1HB   TYR  60          2HB       TYR  60  14.637  -1.814  -2.984
  465   2HB   TYR  60          1HB       TYR  60  14.822  -0.707  -1.633
  466    HD1  TYR  60           1HD      TYR  60  16.412   1.139  -1.739
  467    HD2  TYR  60           2HD      TYR  60  15.972  -1.578  -4.996
  468    HE1  TYR  60           1HE      TYR  60  17.653   2.686  -3.196
  469    HE2  TYR  60           2HE      TYR  60  17.222  -0.040  -6.452
  470    HH   TYR  60           HH       TYR  60  18.304   3.140  -5.293
  471    H    LEU  61           H        LEU  61  17.254  -0.631  -0.123
  472    HA   LEU  61           HA       LEU  61  19.735  -0.225  -1.450
  473   1HB   LEU  61          2HB       LEU  61  18.303   0.799   0.824
  474   2HB   LEU  61          1HB       LEU  61  19.969   0.486   1.274
  475    HG   LEU  61           HG       LEU  61  20.545   2.445   0.388
  476   1HD1  LEU  61          1HD1      LEU  61  20.979   2.560  -1.825
  477   2HD1  LEU  61          2HD1      LEU  61  20.525   0.859  -1.771
  478   3HD1  LEU  61          3HD1      LEU  61  19.348   2.069  -2.282
  479   1HD2  LEU  61          1HD2      LEU  61  17.778   2.710  -0.762
  480   2HD2  LEU  61          2HD2      LEU  61  18.191   3.055   0.918
  481   3HD2  LEU  61          3HD2      LEU  61  18.912   4.005  -0.381
  482    H    ARG  62           H        ARG  62  18.859  -1.810   1.569
  483    HA   ARG  62           HA       ARG  62  20.334  -4.128   0.982
  484   1HB   ARG  62          2HB       ARG  62  22.094  -2.363   1.917
  485   2HB   ARG  62          1HB       ARG  62  21.434  -2.872   3.464
  486   1HG   ARG  62          2HG       ARG  62  23.307  -4.230   3.111
  487   2HG   ARG  62          1HG       ARG  62  21.918  -5.249   2.727
  488   1HD   ARG  62          2HD       ARG  62  23.351  -5.679   0.964
  489   2HD   ARG  62          1HD       ARG  62  22.300  -4.429   0.301
  490    HE   ARG  62           HE       ARG  62  24.697  -3.410   1.545
  491   1HH1  ARG  62          2HH1      ARG  62  23.293  -4.656  -1.421
  492   2HH1  ARG  62          1HH1      ARG  62  24.443  -3.856  -2.452
  493   1HH2  ARG  62          2HH2      ARG  62  26.208  -2.362   0.201
  494   2HH2  ARG  62          1HH2      ARG  62  26.116  -2.552  -1.525
  495    H    LEU  63           H        LEU  63  19.913  -2.629   4.151
  496    HA   LEU  63           HA       LEU  63  17.399  -4.099   4.446
  497   1HB   LEU  63          2HB       LEU  63  18.332  -4.007   7.025
  498   2HB   LEU  63          1HB       LEU  63  18.297  -5.420   5.985
  499    HG   LEU  63           HG       LEU  63  20.651  -3.968   5.374
  500   1HD1  LEU  63          1HD1      LEU  63  21.451  -3.184   7.268
  501   2HD1  LEU  63          2HD1      LEU  63  19.893  -3.510   8.024
  502   3HD1  LEU  63          3HD1      LEU  63  21.171  -4.726   8.080
  503   1HD2  LEU  63          1HD2      LEU  63  21.611  -6.033   5.590
  504   2HD2  LEU  63          2HD2      LEU  63  20.617  -6.472   6.981
  505   3HD2  LEU  63          3HD2      LEU  63  19.916  -6.476   5.361
  506    H    GLY  64           H        GLY  64  19.414  -1.381   5.147
  507   1HA   GLY  64          1HA       GLY  64  16.988   0.133   5.764
  508   2HA   GLY  64          2HA       GLY  64  18.419   0.331   6.768
  509    H    GLY  65           H        GLY  65  20.487   0.732   5.362
  510   1HA   GLY  65          1HA       GLY  65  19.839   2.503   3.116
  511   2HA   GLY  65          2HA       GLY  65  20.615   3.228   4.513
  512    H    SER  66           H        SER  66  21.500   0.003   3.646
  513    HA   SER  66           HA       SER  66  23.672  -0.787   3.473
  514   1HB   SER  66          2HB       SER  66  24.357  -0.057   0.938
  515   2HB   SER  66          1HB       SER  66  23.242  -1.364   1.341
  516    HG   SER  66           HG       SER  66  22.762   1.004   0.104
  517    H    GLY  67           H        GLY  67  23.984   1.534   4.930
  518   1HA   GLY  67          1HA       GLY  67  26.227   2.937   3.635
  519   2HA   GLY  67          2HA       GLY  67  25.232   3.591   4.928
  520    H    GLY  68           H        GLY  68  26.776   0.416   4.685
  521   1HA   GLY  68          1HA       GLY  68  27.583   0.357   7.358
  522   2HA   GLY  68          2HA       GLY  68  28.218  -0.673   6.086
  523    H    HIS  69           H        HIS  69  29.121   1.797   4.617
  524    HA   HIS  69           HA       HIS  69  31.787   1.860   5.535
  525   1HB   HIS  69          2HB       HIS  69  31.716   4.078   4.036
  526   2HB   HIS  69          1HB       HIS  69  31.757   2.477   3.339
  527    HD2  HIS  69           2HD      HIS  69  29.830   2.006   1.543
  528    HE1  HIS  69           1HE      HIS  69  27.258   5.166   2.691
  529    HE2  HIS  69           2HE      HIS  69  27.603   3.254   1.059
  530    H    MET  70           H        MET  70  30.077   4.830   5.047
  531    HA   MET  70           HA       MET  70  31.413   6.166   7.138
  532   1HB   MET  70          2HB       MET  70  28.873   7.015   5.734
  533   2HB   MET  70          1HB       MET  70  29.985   8.061   6.608
  534   1HG   MET  70          2HG       MET  70  31.740   7.507   4.967
  535   2HG   MET  70          1HG       MET  70  30.566   6.549   4.074
  536   1HE   MET  70          1HE       MET  70  28.624  10.051   5.199
  537   2HE   MET  70          2HE       MET  70  30.063   9.569   6.097
  538   3HE   MET  70          3HE       MET  70  30.127  10.949   5.002
  539    H    GLY  71           H        GLY  71  28.197   4.735   6.932
  540   1HA   GLY  71          1HA       GLY  71  27.467   3.768   9.125
  541   2HA   GLY  71          2HA       GLY  71  27.813   5.355   9.793
  542    H    SER  72           H        SER  72  26.751   7.010   7.889
  543    HA   SER  72           HA       SER  72  23.905   6.256   7.777
  544   1HB   SER  72          2HB       SER  72  24.618   9.104   8.275
  545   2HB   SER  72          1HB       SER  72  23.239   8.169   8.855
  546    HG   SER  72           HG       SER  72  24.356   7.507  10.541
  547    H    GLY  73           H        GLY  73  23.110   6.415   5.781
  548   1HA   GLY  73          1HA       GLY  73  22.620   7.556   3.787
  549   2HA   GLY  73          2HA       GLY  73  24.037   8.560   4.037
  550    H    GLY  74           H        GLY  74  24.239   8.087   1.687
  551   1HA   GLY  74          1HA       GLY  74  26.386   6.791   0.919
  552   2HA   GLY  74          2HA       GLY  74  25.305   5.420   1.109
  553    H    ASP  75           H        ASP  75  23.213   7.707   0.165
  554    HA   ASP  75           HA       ASP  75  23.853   7.462  -2.696
  555   1HB   ASP  75          2HB       ASP  75  22.206   5.656  -1.806
  556   2HB   ASP  75          1HB       ASP  75  21.040   6.974  -1.765
  557    H    VAL  76           H        VAL  76  23.238   9.158  -3.955
  558    HA   VAL  76           HA       VAL  76  22.549  11.590  -2.587
  559    HB   VAL  76           HB       VAL  76  22.852  11.111  -5.555
  560   1HG1  VAL  76          1HG1      VAL  76  23.566  13.740  -4.707
  561   2HG1  VAL  76          2HG1      VAL  76  22.310  13.244  -5.842
  562   3HG1  VAL  76          3HG1      VAL  76  21.945  13.365  -4.120
  563   1HG2  VAL  76          1HG2      VAL  76  25.075  12.491  -4.598
  564   2HG2  VAL  76          2HG2      VAL  76  24.803  11.200  -3.428
  565   3HG2  VAL  76          3HG2      VAL  76  25.017  10.813  -5.134
  566    H    MET  77           H        MET  77  20.591  12.382  -2.276
  567    HA   MET  77           HA       MET  77  18.234  11.107  -3.223
  568   1HB   MET  77          2HB       MET  77  18.228  13.893  -2.127
  569   2HB   MET  77          1HB       MET  77  17.080  12.588  -1.858
  570   1HG   MET  77          2HG       MET  77  18.249  11.732  -0.146
  571   2HG   MET  77          1HG       MET  77  19.804  12.106  -0.863
  572   1HE   MET  77          1HE       MET  77  21.183  13.875  -0.466
  573   2HE   MET  77          2HE       MET  77  21.038  15.064   0.829
  574   3HE   MET  77          3HE       MET  77  21.169  13.349   1.217
  575    H    VAL  78           H        VAL  78  17.526  11.267  -5.256
  576    HA   VAL  78           HA       VAL  78  17.979  13.803  -6.690
  577    HB   VAL  78           HB       VAL  78  17.932  12.490  -8.788
  578   1HG1  VAL  78          1HG1      VAL  78  20.082  13.021  -8.006
  579   2HG1  VAL  78          2HG1      VAL  78  19.995  11.827  -6.711
  580   3HG1  VAL  78          3HG1      VAL  78  20.141  11.299  -8.388
  581   1HG2  VAL  78          1HG2      VAL  78  17.006  10.426  -7.059
  582   2HG2  VAL  78          2HG2      VAL  78  17.160  10.410  -8.816
  583   3HG2  VAL  78          3HG2      VAL  78  18.514   9.900  -7.808
  584    H    VAL  79           H        VAL  79  15.596  12.110  -5.224
  585    HA   VAL  79           HA       VAL  79  13.573  12.890  -7.225
  586    HB   VAL  79           HB       VAL  79  12.872  11.095  -4.941
  587   1HG1  VAL  79          1HG1      VAL  79  11.931  10.487  -7.638
  588   2HG1  VAL  79          2HG1      VAL  79  11.026  10.692  -6.138
  589   3HG1  VAL  79          3HG1      VAL  79  11.500  12.105  -7.082
  590   1HG2  VAL  79          1HG2      VAL  79  13.491   9.343  -6.996
  591   2HG2  VAL  79          2HG2      VAL  79  14.865  10.449  -6.952
  592   3HG2  VAL  79          3HG2      VAL  79  14.399   9.565  -5.500
  593    H    GLY  80           H        GLY  80  14.673  13.263  -3.965
  594   1HA   GLY  80          1HA       GLY  80  14.056  15.531  -3.041
  595   2HA   GLY  80          2HA       GLY  80  12.400  15.073  -3.416
  596    H    GLU  81           H        GLU  81  14.612  12.687  -2.296
  597    HA   GLU  81           HA       GLU  81  12.997  12.116  -0.008
  598   1HB   GLU  81          2HB       GLU  81  15.733  10.972  -0.490
  599   2HB   GLU  81          1HB       GLU  81  14.334  10.208   0.253
  600   1HG   GLU  81          2HG       GLU  81  14.167   9.173  -1.729
  601   2HG   GLU  81          1HG       GLU  81  13.367  10.666  -2.216
  602    HA   PRO  82           HA       PRO  82  15.205  14.821   2.690
  603   1HB   PRO  82          2HB       PRO  82  13.942  13.597   4.974
  604   2HB   PRO  82          1HB       PRO  82  13.586  15.150   4.219
  605   1HG   PRO  82          2HG       PRO  82  11.886  12.997   4.169
  606   2HG   PRO  82          1HG       PRO  82  11.893  14.284   2.950
  607   1HD   PRO  82          2HD       PRO  82  13.089  11.544   2.825
  608   2HD   PRO  82          1HD       PRO  82  12.259  12.475   1.559
  609    H    THR  83           H        THR  83  16.923  14.828   4.077
  610    HA   THR  83           HA       THR  83  18.427  12.413   4.310
  611    HB   THR  83           HB       THR  83  19.357  14.666   5.922
  612    HG1  THR  83           1HG      THR  83  18.683  15.026   3.173
  613   1HG2  THR  83          1HG2      THR  83  21.369  14.318   4.620
  614   2HG2  THR  83          2HG2      THR  83  20.485  13.295   3.491
  615   3HG2  THR  83          3HG2      THR  83  20.730  12.764   5.154
  616    H    LEU  84           H        LEU  84  17.480  10.967   5.674
  617    HA   LEU  84           HA       LEU  84  16.615  11.790   8.324
  618   1HB   LEU  84          2HB       LEU  84  16.535   9.165   6.847
  619   2HB   LEU  84          1HB       LEU  84  16.093   9.305   8.537
  620    HG   LEU  84           HG       LEU  84  14.628  10.198   6.112
  621   1HD1  LEU  84          1HD1      LEU  84  13.858   8.231   7.192
  622   2HD1  LEU  84          2HD1      LEU  84  13.894   9.008   8.775
  623   3HD1  LEU  84          3HD1      LEU  84  12.709   9.513   7.569
  624   1HD2  LEU  84          1HD2      LEU  84  14.302  11.584   8.770
  625   2HD2  LEU  84          2HD2      LEU  84  15.060  12.299   7.346
  626   3HD2  LEU  84          3HD2      LEU  84  13.353  11.855   7.309
  627    H    MET  85           H        MET  85  17.286   9.928  10.046
  628    HA   MET  85           HA       MET  85  20.090  10.360  10.422
  629   1HB   MET  85          2HB       MET  85  17.939   9.776  12.073
  630   2HB   MET  85          1HB       MET  85  18.911   8.312  12.130
  631   1HG   MET  85          2HG       MET  85  20.577   9.299  13.270
  632   2HG   MET  85          1HG       MET  85  20.394  10.833  12.419
  633   1HE   MET  85          1HE       MET  85  18.303   9.120  15.963
  634   2HE   MET  85          2HE       MET  85  19.708   8.563  15.052
  635   3HE   MET  85          3HE       MET  85  19.902   9.771  16.321
  636    H    GLY  86           H        GLY  86  18.085   7.620   9.478
  637   1HA   GLY  86          1HA       GLY  86  20.496   5.967   9.172
  638   2HA   GLY  86          2HA       GLY  86  18.838   5.383   9.146
  639    H    GLY  87           H        GLY  87  21.036   7.525   7.334
  640   1HA   GLY  87          1HA       GLY  87  21.485   7.263   5.010
  641   2HA   GLY  87          2HA       GLY  87  19.990   6.352   4.852
  642    H    GLU  88           H        GLU  88  20.790   8.508   3.176
  643    HA   GLU  88           HA       GLU  88  19.384  10.852   4.007
  644   1HB   GLU  88          2HB       GLU  88  20.374  10.319   1.232
  645   2HB   GLU  88          1HB       GLU  88  20.227  11.862   2.068
  646   1HG   GLU  88          2HG       GLU  88  22.394  11.662   2.459
  647   2HG   GLU  88          1HG       GLU  88  21.946  10.482   3.680
  648    H    PHE  89           H        PHE  89  17.761   8.454   3.755
  649    HA   PHE  89           HA       PHE  89  15.913   9.342   1.645
  650   1HB   PHE  89          2HB       PHE  89  15.590   6.562   2.450
  651   2HB   PHE  89          1HB       PHE  89  15.791   7.253   0.842
  652    HD1  PHE  89           1HD      PHE  89  17.402   5.520   3.552
  653    HD2  PHE  89           2HD      PHE  89  18.076   7.738  -0.017
  654    HE1  PHE  89           1HE      PHE  89  19.724   4.719   3.496
  655    HE2  PHE  89           2HE      PHE  89  20.398   6.934  -0.083
  656    HZ   PHE  89           HZ       PHE  89  21.224   5.443   1.687
  657    H    GLY  90           H        GLY  90  13.688   9.071   2.071
  658   1HA   GLY  90          1HA       GLY  90  12.950   8.657   4.880
  659   2HA   GLY  90          2HA       GLY  90  12.479  10.161   4.095
  660    H    ASP  91           H        ASP  91  12.195   6.686   3.964
  661    HA   ASP  91           HA       ASP  91   9.560   6.889   2.744
  662   1HB   ASP  91          2HB       ASP  91  10.508   4.901   1.266
  663   2HB   ASP  91          1HB       ASP  91  10.693   6.582   0.793
  664    H    GLU  92           H        GLU  92  11.665   4.110   2.960
  665    HA   GLU  92           HA       GLU  92  11.731   2.245   4.237
  666   1HB   GLU  92          2HB       GLU  92  10.083   3.929   6.115
  667   2HB   GLU  92          1HB       GLU  92  10.615   2.300   6.504
  668   1HG   GLU  92          2HG       GLU  92  12.339   3.382   7.443
  669   2HG   GLU  92          1HG       GLU  92  12.962   3.385   5.794
  670    H    ASP  93           H        ASP  93   8.756   3.494   3.156
  671    HA   ASP  93           HA       ASP  93   7.409   0.932   3.681
  672   1HB   ASP  93          2HB       ASP  93   5.303   2.299   3.296
  673   2HB   ASP  93          1HB       ASP  93   6.214   2.670   4.753
  674    H    GLU  94           H        GLU  94   9.143   1.302   1.392
  675    HA   GLU  94           HA       GLU  94   7.720   2.095  -0.855
  676   1HB   GLU  94          2HB       GLU  94  10.318   1.242  -0.317
  677   2HB   GLU  94          1HB       GLU  94   9.718   0.157  -1.564
  678   1HG   GLU  94          2HG       GLU  94   8.892   2.531  -2.527
  679   2HG   GLU  94          1HG       GLU  94  10.352   3.014  -1.675
  680    H    ARG  95           H        ARG  95   5.834   1.272  -1.280
  681    HA   ARG  95           HA       ARG  95   5.525  -1.021  -2.817
  682   1HB   ARG  95          2HB       ARG  95   5.648  -1.741  -0.233
  683   2HB   ARG  95          1HB       ARG  95   3.948  -1.333  -0.338
  684   1HG   ARG  95          2HG       ARG  95   3.700  -3.470  -0.975
  685   2HG   ARG  95          1HG       ARG  95   4.264  -2.891  -2.546
  686   1HD   ARG  95          2HD       ARG  95   6.568  -3.427  -1.901
  687   2HD   ARG  95          1HD       ARG  95   5.986  -4.052  -0.358
  688    HE   ARG  95           HE       ARG  95   6.146  -5.470  -2.760
  689   1HH1  ARG  95          2HH1      ARG  95   3.840  -4.971  -0.162
  690   2HH1  ARG  95          1HH1      ARG  95   3.100  -6.535  -0.344
  691   1HH2  ARG  95          2HH2      ARG  95   5.229  -7.525  -2.957
  692   2HH2  ARG  95          1HH2      ARG  95   3.881  -7.989  -1.951
  693    H    LEU  96           H        LEU  96   4.922   1.666  -3.125
  694    HA   LEU  96           HA       LEU  96   2.507   2.412  -1.989
  695   1HB   LEU  96          2HB       LEU  96   2.842   4.465  -2.834
  696   2HB   LEU  96          1HB       LEU  96   4.457   3.819  -2.997
  697    HG   LEU  96           HG       LEU  96   3.632   3.244  -5.435
  698   1HD1  LEU  96          1HD1      LEU  96   1.324   4.319  -4.619
  699   2HD1  LEU  96          2HD1      LEU  96   2.138   5.791  -5.146
  700   3HD1  LEU  96          3HD1      LEU  96   1.898   4.463  -6.280
  701   1HD2  LEU  96          1HD2      LEU  96   4.740   5.200  -6.151
  702   2HD2  LEU  96          2HD2      LEU  96   4.269   6.088  -4.699
  703   3HD2  LEU  96          3HD2      LEU  96   5.455   4.787  -4.592
  704    H    ILE  97           H        ILE  97   0.536   2.884  -2.720
  705    HA   ILE  97           HA       ILE  97  -0.366   1.784  -5.250
  706    HB   ILE  97           HB       ILE  97  -2.311   1.105  -3.278
  707   1HG1  ILE  97          2HG1      ILE  97  -0.739  -0.819  -2.313
  708   2HG1  ILE  97          1HG1      ILE  97   0.495   0.413  -2.551
  709   1HG2  ILE  97          1HG2      ILE  97  -0.762  -0.188  -5.411
  710   2HG2  ILE  97          2HG2      ILE  97  -1.414  -1.265  -4.176
  711   3HG2  ILE  97          3HG2      ILE  97  -2.496  -0.208  -5.083
  712   1HD1  ILE  97          1HD1      ILE  97  -1.485   0.164  -0.477
  713   2HD1  ILE  97          2HD1      ILE  97  -0.059   1.200  -0.558
  714   3HD1  ILE  97          3HD1      ILE  97  -1.581   1.736  -1.269
  715    H    THR  98           H        THR  98  -3.098   2.087  -4.674
  716    HA   THR  98           HA       THR  98  -3.391   4.777  -3.625
  717    HB   THR  98           HB       THR  98  -3.219   4.376  -6.372
  718    HG1  THR  98           1HG      THR  98  -4.649   6.571  -5.299
  719   1HG2  THR  98          1HG2      THR  98  -5.752   3.566  -5.843
  720   2HG2  THR  98          2HG2      THR  98  -5.235   4.300  -7.361
  721   3HG2  THR  98          3HG2      THR  98  -6.000   5.292  -6.119
  722    H    ARG  99           H        ARG  99  -5.305   5.098  -2.615
  723    HA   ARG  99           HA       ARG  99  -6.795   2.797  -1.886
  724   1HB   ARG  99          2HB       ARG  99  -7.655   5.660  -1.456
  725   2HB   ARG  99          1HB       ARG  99  -8.103   4.251  -0.507
  726   1HG   ARG  99          2HG       ARG  99  -5.223   4.874  -0.651
  727   2HG   ARG  99          1HG       ARG  99  -6.236   6.002   0.250
  728   1HD   ARG  99          2HD       ARG  99  -5.758   3.084   0.750
  729   2HD   ARG  99          1HD       ARG  99  -5.518   4.444   1.843
  730    HE   ARG  99           HE       ARG  99  -8.216   4.428   1.312
  731   1HH1  ARG  99          2HH1      ARG  99  -5.879   2.230   2.734
  732   2HH1  ARG  99          1HH1      ARG  99  -7.070   1.387   3.687
  733   1HH2  ARG  99          2HH2      ARG  99  -9.773   3.336   2.564
  734   2HH2  ARG  99          1HH2      ARG  99  -9.294   1.989   3.557
  735    H    LEU 100           H        LEU 100  -8.119   1.807  -3.261
  736    HA   LEU 100           HA       LEU 100  -9.634   3.452  -5.155
  737   1HB   LEU 100          2HB       LEU 100  -8.077   1.287  -5.634
  738   2HB   LEU 100          1HB       LEU 100  -9.654   0.530  -5.493
  739    HG   LEU 100           HG       LEU 100 -10.075   2.728  -7.153
  740   1HD1  LEU 100          1HD1      LEU 100  -8.315   3.096  -8.474
  741   2HD1  LEU 100          2HD1      LEU 100  -7.366   2.333  -7.197
  742   3HD1  LEU 100          3HD1      LEU 100  -7.918   1.381  -8.575
  743   1HD2  LEU 100          1HD2      LEU 100 -10.070   0.830  -8.930
  744   2HD2  LEU 100          2HD2      LEU 100  -9.822  -0.220  -7.536
  745   3HD2  LEU 100          3HD2      LEU 100 -11.253   0.806  -7.622
  746    H    GLU 101           H        GLU 101 -11.713   2.391  -5.822
  747    HA   GLU 101           HA       GLU 101 -13.193   1.499  -3.439
  748   1HB   GLU 101          2HB       GLU 101 -14.919   2.867  -5.278
  749   2HB   GLU 101          1HB       GLU 101 -14.569   3.259  -3.601
  750   1HG   GLU 101          2HG       GLU 101 -12.369   4.261  -4.684
  751   2HG   GLU 101          1HG       GLU 101 -13.416   4.371  -6.096
  752    H    ASN 102           H        ASN 102 -14.577  -0.176  -3.721
  753    HA   ASN 102           HA       ASN 102 -14.331  -1.703  -6.140
  754   1HB   ASN 102          2HB       ASN 102 -14.695  -2.438  -3.591
  755   2HB   ASN 102          1HB       ASN 102 -16.384  -2.421  -4.105
  756   1HD2  ASN 102          1HD2      ASN 102 -14.901  -4.701  -3.284
  757   2HD2  ASN 102          2HD2      ASN 102 -14.828  -5.786  -4.641
  758    H    THR 103           H        THR 103 -16.513  -2.770  -6.914
  759    HA   THR 103           HA       THR 103 -17.893  -0.878  -8.392
  760    HB   THR 103           HB       THR 103 -18.995  -3.573  -7.603
  761    HG1  THR 103           1HG      THR 103 -17.337  -4.392  -8.615
  762   1HG2  THR 103          1HG2      THR 103 -19.372  -1.858 -10.059
  763   2HG2  THR 103          2HG2      THR 103 -20.566  -2.169  -8.799
  764   3HG2  THR 103          3HG2      THR 103 -20.023  -3.482  -9.842
  765    H    GLN 104           H        GLN 104 -19.332  -2.834  -5.783
  766    HA   GLN 104           HA       GLN 104 -21.509  -0.967  -5.562
  767   1HB   GLN 104          2HB       GLN 104 -20.879  -3.563  -4.173
  768   2HB   GLN 104          1HB       GLN 104 -22.303  -2.597  -3.807
  769   1HG   GLN 104          2HG       GLN 104 -21.677  -3.545  -6.581
  770   2HG   GLN 104          1HG       GLN 104 -22.594  -4.512  -5.432
  771   1HE2  GLN 104          1HE2      GLN 104 -23.703  -1.931  -4.308
  772   2HE2  GLN 104          2HE2      GLN 104 -24.946  -1.478  -5.423
  773    H    PHE 105           H        PHE 105 -19.462   0.478  -4.954
  774    HA   PHE 105           HA       PHE 105 -19.804   0.903  -2.066
  775   1HB   PHE 105          2HB       PHE 105 -17.523   0.214  -2.255
  776   2HB   PHE 105          1HB       PHE 105 -17.258   1.248  -3.657
  777    HD1  PHE 105           1HD      PHE 105 -16.833   3.581  -3.413
  778    HD2  PHE 105           2HD      PHE 105 -17.721   1.187  -0.018
  779    HE1  PHE 105           1HE      PHE 105 -16.078   5.404  -1.933
  780    HE2  PHE 105           2HE      PHE 105 -16.972   2.996   1.469
  781    HZ   PHE 105           HZ       PHE 105 -16.155   5.111   0.512
  782    H    ASP 106           H        ASP 106 -19.349   2.217  -5.256
  783    HA   ASP 106           HA       ASP 106 -19.143   4.888  -4.980
  784   1HB   ASP 106          2HB       ASP 106 -20.028   3.099  -6.993
  785   2HB   ASP 106          1HB       ASP 106 -21.159   4.444  -6.949
  786    H    ALA 107           H        ALA 107 -21.981   2.983  -4.466
  787    HA   ALA 107           HA       ALA 107 -23.693   3.439  -2.965
  788   1HB   ALA 107          1HB       ALA 107 -22.956   5.433  -1.968
  789   2HB   ALA 107          2HB       ALA 107 -23.065   6.334  -3.482
  790   3HB   ALA 107          3HB       ALA 107 -24.534   5.809  -2.657
  791    H    ALA 108           H        ALA 108 -23.938   2.396  -5.304
  792    HA   ALA 108           HA       ALA 108 -25.778   3.926  -6.967
  793   1HB   ALA 108          1HB       ALA 108 -25.369   2.388  -8.638
  794   2HB   ALA 108          2HB       ALA 108 -23.844   2.371  -7.754
  795   3HB   ALA 108          3HB       ALA 108 -25.023   1.087  -7.499
  796    H    ASN 109           H        ASN 109 -25.817   1.381  -4.607
  797    HA   ASN 109           HA       ASN 109 -28.567   0.653  -5.294
  798   1HB   ASN 109          2HB       ASN 109 -26.612  -0.983  -4.661
  799   2HB   ASN 109          1HB       ASN 109 -27.049  -0.556  -3.010
  800   1HD2  ASN 109          1HD2      ASN 109 -27.366  -2.998  -3.196
  801   2HD2  ASN 109          2HD2      ASN 109 -28.994  -3.505  -3.547
  802    H    GLY 110           H        GLY 110 -26.825   2.593  -3.079
  803   1HA   GLY 110          1HA       GLY 110 -29.176   3.709  -1.983
  804   2HA   GLY 110          2HA       GLY 110 -28.475   2.584  -0.830
  805    H    ILE 111           H        ILE 111 -27.892   4.105   0.677
  806    HA   ILE 111           HA       ILE 111 -26.066   6.242  -0.142
  807    HB   ILE 111           HB       ILE 111 -26.828   5.822   2.711
  808   1HG1  ILE 111          2HG1      ILE 111 -28.681   7.615   1.436
  809   2HG1  ILE 111          1HG1      ILE 111 -28.768   6.034   0.665
  810   1HG2  ILE 111          1HG2      ILE 111 -25.754   7.942   1.013
  811   2HG2  ILE 111          2HG2      ILE 111 -27.022   8.482   2.113
  812   3HG2  ILE 111          3HG2      ILE 111 -25.585   7.682   2.749
  813   1HD1  ILE 111          1HD1      ILE 111 -28.846   5.218   3.172
  814   2HD1  ILE 111          2HD1      ILE 111 -29.468   6.848   3.425
  815   3HD1  ILE 111          3HD1      ILE 111 -30.295   5.751   2.320
  816    H    ASP 112           H        ASP 112 -26.243   3.351   1.789
  817    HA   ASP 112           HA       ASP 112 -23.303   3.314   1.914
  818   1HB   ASP 112          2HB       ASP 112 -24.360   3.206   4.173
  819   2HB   ASP 112          1HB       ASP 112 -25.198   1.739   3.674
  820    H    ASP 113           H        ASP 113 -23.176   2.600  -0.140
  821    HA   ASP 113           HA       ASP 113 -24.764   0.861  -1.473
  822   1HB   ASP 113          2HB       ASP 113 -22.582   2.271  -2.137
  823   2HB   ASP 113          1HB       ASP 113 -21.886   0.652  -2.136
  824    H    GLU 114           H        GLU 114 -24.987  -1.247  -1.804
  825    HA   GLU 114           HA       GLU 114 -23.053  -3.192  -0.983
  826   1HB   GLU 114          2HB       GLU 114 -24.610  -2.454   1.046
  827   2HB   GLU 114          1HB       GLU 114 -25.733  -3.560   0.270
  828   1HG   GLU 114          2HG       GLU 114 -22.994  -4.568   0.680
  829   2HG   GLU 114          1HG       GLU 114 -23.950  -4.293   2.135
  Start of MODEL   17
    1   1H    GLY   1          1H        GLY   1 -18.239 -13.898  -3.378
    2   2H    GLY   1          2H        GLY   1 -19.515 -12.813  -3.112
    3   3H    GLY   1          3H        GLY   1 -19.179 -14.022  -1.970
    4   1HA   GLY   1          2HA       GLY   1 -18.075 -12.420  -0.897
    5   2HA   GLY   1          1HA       GLY   1 -16.814 -12.805  -2.062
    6    H    SER   2           H        SER   2 -15.963 -10.731  -2.099
    7    HA   SER   2           HA       SER   2 -17.614  -8.445  -2.645
    8   1HB   SER   2          2HB       SER   2 -14.923  -7.788  -3.110
    9   2HB   SER   2          1HB       SER   2 -15.842  -7.515  -1.629
   10    HG   SER   2           HG       SER   2 -14.824  -9.107  -0.698
   11    H    LEU   3           H        LEU   3 -16.082  -6.984  -4.435
   12    HA   LEU   3           HA       LEU   3 -16.642  -8.384  -6.947
   13   1HB   LEU   3          2HB       LEU   3 -16.024  -5.463  -6.576
   14   2HB   LEU   3          1HB       LEU   3 -16.721  -6.231  -7.988
   15    HG   LEU   3           HG       LEU   3 -18.084  -5.983  -5.305
   16   1HD1  LEU   3          1HD1      LEU   3 -17.641  -3.896  -6.852
   17   2HD1  LEU   3          2HD1      LEU   3 -19.005  -4.564  -7.750
   18   3HD1  LEU   3          3HD1      LEU   3 -19.194  -4.133  -6.050
   19   1HD2  LEU   3          1HD2      LEU   3 -19.016  -7.856  -6.297
   20   2HD2  LEU   3          2HD2      LEU   3 -20.087  -6.559  -6.826
   21   3HD2  LEU   3          3HD2      LEU   3 -18.865  -7.197  -7.927
   22    H    LEU   4           H        LEU   4 -14.170  -6.352  -5.424
   23    HA   LEU   4           HA       LEU   4 -12.276  -6.888  -7.536
   24   1HB   LEU   4          2HB       LEU   4 -11.497  -5.685  -4.918
   25   2HB   LEU   4          1HB       LEU   4 -10.849  -5.375  -6.518
   26    HG   LEU   4           HG       LEU   4 -13.665  -4.594  -6.137
   27   1HD1  LEU   4          1HD1      LEU   4 -12.459  -4.042  -3.961
   28   2HD1  LEU   4          2HD1      LEU   4 -11.513  -2.894  -4.913
   29   3HD1  LEU   4          3HD1      LEU   4 -13.265  -2.713  -4.795
   30   1HD2  LEU   4          1HD2      LEU   4 -13.169  -3.354  -7.912
   31   2HD2  LEU   4          2HD2      LEU   4 -11.813  -2.595  -7.076
   32   3HD2  LEU   4          3HD2      LEU   4 -11.582  -4.124  -7.929
   33    H    THR   5           H        THR   5 -10.302  -7.895  -7.309
   34    HA   THR   5           HA       THR   5  -9.947  -9.636  -4.985
   35    HB   THR   5           HB       THR   5  -8.799 -11.018  -7.133
   36    HG1  THR   5           1HG      THR   5 -11.056 -11.267  -8.251
   37   1HG2  THR   5          1HG2      THR   5  -9.666 -12.475  -5.656
   38   2HG2  THR   5          2HG2      THR   5 -11.144 -12.333  -6.610
   39   3HG2  THR   5          3HG2      THR   5 -10.930 -11.349  -5.160
   40    H    CYS   6           H        CYS   6  -7.903  -9.687  -4.222
   41    HA   CYS   6           HA       CYS   6  -6.104  -7.729  -5.331
   42   1HB   CYS   6          2HB       CYS   6  -5.903  -7.342  -3.141
   43   2HB   CYS   6          1HB       CYS   6  -6.675  -8.871  -2.735
   44    H    GLY   7           H        GLY   7  -4.121  -8.066  -6.163
   45   1HA   GLY   7          1HA       GLY   7  -3.658 -10.641  -7.322
   46   2HA   GLY   7          2HA       GLY   7  -2.641  -9.222  -7.504
   47    H    GLY   8           H        GLY   8  -2.972  -9.542  -4.282
   48   1HA   GLY   8          1HA       GLY   8  -0.378 -10.869  -4.103
   49   2HA   GLY   8          2HA       GLY   8  -1.137  -9.893  -2.857
   50    H    CYS   9           H        CYS   9  -3.673 -11.244  -2.883
   51    HA   CYS   9           HA       CYS   9  -2.878 -13.907  -1.918
   52   1HB   CYS   9          2HB       CYS   9  -4.207 -13.665   0.060
   53   2HB   CYS   9          1HB       CYS   9  -3.146 -12.265  -0.048
   54    H    GLN  10           H        GLN  10  -5.290 -11.885  -3.381
   55    HA   GLN  10           HA       GLN  10  -7.139 -12.296  -4.607
   56   1HB   GLN  10          2HB       GLN  10  -5.401 -14.205  -5.406
   57   2HB   GLN  10          1HB       GLN  10  -6.715 -15.214  -4.818
   58   1HG   GLN  10          2HG       GLN  10  -8.198 -14.445  -6.408
   59   2HG   GLN  10          1HG       GLN  10  -7.303 -12.950  -6.667
   60   1HE2  GLN  10          1HE2      GLN  10  -6.144 -12.830  -8.444
   61   2HE2  GLN  10          2HE2      GLN  10  -5.586 -14.184  -9.391
   62    H    GLN  11           H        GLN  11  -7.148 -12.674  -1.649
   63    HA   GLN  11           HA       GLN  11  -9.232 -14.662  -1.268
   64   1HB   GLN  11          2HB       GLN  11  -8.942 -14.363   1.022
   65   2HB   GLN  11          1HB       GLN  11  -7.327 -14.106   0.382
   66   1HG   GLN  11          2HG       GLN  11  -7.607 -11.711   0.554
   67   2HG   GLN  11          1HG       GLN  11  -9.271 -11.923   1.100
   68   1HE2  GLN  11          1HE2      GLN  11  -5.959 -12.829   1.899
   69   2HE2  GLN  11          2HE2      GLN  11  -6.171 -12.785   3.622
   70    H    ASN  12           H        ASN  12  -9.429 -11.997  -2.789
   71    HA   ASN  12           HA       ASN  12 -11.116 -10.611  -3.396
   72   1HB   ASN  12          2HB       ASN  12 -12.497 -12.538  -1.685
   73   2HB   ASN  12          1HB       ASN  12 -13.254 -10.947  -1.689
   74   1HD2  ASN  12          1HD2      ASN  12 -14.141 -10.150  -3.572
   75   2HD2  ASN  12          2HD2      ASN  12 -14.443 -11.155  -4.958
   76    H    ILE  13           H        ILE  13 -11.349  -8.503  -3.010
   77    HA   ILE  13           HA       ILE  13 -10.605  -7.561  -0.336
   78    HB   ILE  13           HB       ILE  13 -10.951  -5.764  -2.694
   79   1HG1  ILE  13          2HG1      ILE  13  -8.257  -6.871  -2.089
   80   2HG1  ILE  13          1HG1      ILE  13  -9.371  -7.885  -2.999
   81   1HG2  ILE  13          1HG2      ILE  13  -8.735  -5.094  -1.096
   82   2HG2  ILE  13          2HG2      ILE  13 -10.276  -4.246  -1.230
   83   3HG2  ILE  13          3HG2      ILE  13 -10.059  -5.491   0.000
   84   1HD1  ILE  13          1HD1      ILE  13  -9.084  -5.103  -3.920
   85   2HD1  ILE  13          2HD1      ILE  13  -7.688  -6.161  -4.137
   86   3HD1  ILE  13          3HD1      ILE  13  -9.248  -6.602  -4.838
   87    H    GLY  14           H        GLY  14 -12.270  -7.363   0.966
   88   1HA   GLY  14          1HA       GLY  14 -14.618  -5.848   0.002
   89   2HA   GLY  14          2HA       GLY  14 -14.765  -7.199   1.119
   90    H    ASP  15           H        ASP  15 -12.189  -4.908   1.194
   91    HA   ASP  15           HA       ASP  15 -12.733  -4.281   3.950
   92   1HB   ASP  15          2HB       ASP  15 -10.531  -3.684   2.025
   93   2HB   ASP  15          1HB       ASP  15 -10.708  -2.638   3.428
   94    H    ARG  16           H        ARG  16 -12.075  -1.745   4.345
   95    HA   ARG  16           HA       ARG  16 -14.198  -0.272   2.950
   96   1HB   ARG  16          2HB       ARG  16 -14.528   0.988   4.823
   97   2HB   ARG  16          1HB       ARG  16 -13.911  -0.471   5.579
   98   1HG   ARG  16          2HG       ARG  16 -12.347   0.746   6.555
   99   2HG   ARG  16          1HG       ARG  16 -11.675   1.120   4.966
  100   1HD   ARG  16          2HD       ARG  16 -12.083   3.222   5.865
  101   2HD   ARG  16          1HD       ARG  16 -13.508   2.931   4.869
  102    HE   ARG  16           HE       ARG  16 -14.221   2.001   7.337
  103   1HH1  ARG  16          2HH1      ARG  16 -12.961   5.061   6.151
  104   2HH1  ARG  16          1HH1      ARG  16 -13.815   6.011   7.334
  105   1HH2  ARG  16          2HH2      ARG  16 -15.329   3.257   8.905
  106   2HH2  ARG  16          1HH2      ARG  16 -15.126   4.991   8.916
  107    H    TYR  17           H        TYR  17 -10.826  -0.595   3.177
  108    HA   TYR  17           HA       TYR  17 -10.437   1.473   1.212
  109   1HB   TYR  17          2HB       TYR  17 -10.146   2.232   3.856
  110   2HB   TYR  17          1HB       TYR  17  -8.505   1.792   3.402
  111    HD1  TYR  17           1HD      TYR  17 -11.348   3.604   1.805
  112    HD2  TYR  17           2HD      TYR  17  -7.204   3.606   2.759
  113    HE1  TYR  17           1HE      TYR  17 -11.117   5.800   0.732
  114    HE2  TYR  17           2HE      TYR  17  -6.954   5.807   1.681
  115    HH   TYR  17           HH       TYR  17  -9.725   7.676   0.681
  116    H    PHE  18           H        PHE  18  -8.518   1.083   0.017
  117    HA   PHE  18           HA       PHE  18  -6.780  -1.072   0.893
  118   1HB   PHE  18          2HB       PHE  18  -7.307  -2.623  -0.795
  119   2HB   PHE  18          1HB       PHE  18  -8.859  -2.094  -0.170
  120    HD1  PHE  18           1HD      PHE  18  -7.834  -3.342  -2.921
  121    HD2  PHE  18           2HD      PHE  18  -9.128   0.515  -1.659
  122    HE1  PHE  18           1HE      PHE  18  -8.573  -2.840  -5.211
  123    HE2  PHE  18           2HE      PHE  18  -9.863   1.018  -3.948
  124    HZ   PHE  18           HZ       PHE  18  -9.586  -0.660  -5.727
  125    H    LEU  19           H        LEU  19  -5.529  -1.724  -1.405
  126    HA   LEU  19           HA       LEU  19  -4.488   0.826  -2.435
  127   1HB   LEU  19          2HB       LEU  19  -3.099  -1.532  -1.268
  128   2HB   LEU  19          1HB       LEU  19  -2.346  -0.760  -2.645
  129    HG   LEU  19           HG       LEU  19  -3.155   0.885  -0.281
  130   1HD1  LEU  19          1HD1      LEU  19  -0.413  -0.272  -0.429
  131   2HD1  LEU  19          2HD1      LEU  19  -1.306   0.340   0.962
  132   3HD1  LEU  19          3HD1      LEU  19  -1.710  -1.232   0.278
  133   1HD2  LEU  19          1HD2      LEU  19  -0.810   1.148  -2.148
  134   2HD2  LEU  19          2HD2      LEU  19  -2.385   1.875  -2.465
  135   3HD2  LEU  19          3HD2      LEU  19  -1.461   2.358  -1.042
  136    H    LYS  20           H        LYS  20  -4.398   0.930  -4.634
  137    HA   LYS  20           HA       LYS  20  -3.898  -1.385  -6.210
  138   1HB   LYS  20          2HB       LYS  20  -5.956  -2.063  -6.716
  139   2HB   LYS  20          1HB       LYS  20  -6.649  -0.814  -5.695
  140   1HG   LYS  20          2HG       LYS  20  -5.810   0.202  -8.280
  141   2HG   LYS  20          1HG       LYS  20  -6.978  -1.091  -8.417
  142   1HD   LYS  20          2HD       LYS  20  -8.428   0.121  -6.797
  143   2HD   LYS  20          1HD       LYS  20  -7.279   1.461  -6.847
  144   1HE   LYS  20          2HE       LYS  20  -8.204   2.236  -8.710
  145   2HE   LYS  20          1HE       LYS  20  -7.966   0.685  -9.514
  146   1HZ   LYS  20          1HZ       LYS  20 -10.115   0.198  -9.311
  147   2HZ   LYS  20          2HZ       LYS  20 -10.359   1.818  -8.876
  148   3HZ   LYS  20          3HZ       LYS  20 -10.164   0.641  -7.673
  149    H    ALA  21           H        ALA  21  -3.086  -0.798  -8.224
  150    HA   ALA  21           HA       ALA  21  -3.672   1.425  -9.721
  151   1HB   ALA  21          1HB       ALA  21  -1.221   2.105  -8.115
  152   2HB   ALA  21          2HB       ALA  21  -2.098   3.124  -9.257
  153   3HB   ALA  21          3HB       ALA  21  -2.831   2.702  -7.710
  154    H    ILE  22           H        ILE  22  -1.016  -0.540  -8.549
  155    HA   ILE  22           HA       ILE  22   0.882  -0.230 -10.441
  156    HB   ILE  22           HB       ILE  22   0.226  -3.009  -9.520
  157   1HG1  ILE  22          2HG1      ILE  22   0.689  -0.642  -7.860
  158   2HG1  ILE  22          1HG1      ILE  22   0.072  -2.222  -7.412
  159   1HG2  ILE  22          1HG2      ILE  22   2.284  -2.077 -10.983
  160   2HG2  ILE  22          2HG2      ILE  22   2.955  -1.915  -9.361
  161   3HG2  ILE  22          3HG2      ILE  22   2.383  -3.483  -9.927
  162   1HD1  ILE  22          1HD1      ILE  22   2.905  -1.274  -7.486
  163   2HD1  ILE  22          2HD1      ILE  22   1.996  -1.976  -6.146
  164   3HD1  ILE  22          3HD1      ILE  22   2.505  -2.992  -7.495
  165    H    ASP  23           H        ASP  23  -1.649  -2.690 -10.627
  166    HA   ASP  23           HA       ASP  23  -2.384  -2.279 -13.255
  167   1HB   ASP  23          2HB       ASP  23  -0.006  -3.154 -13.668
  168   2HB   ASP  23          1HB       ASP  23  -0.601  -4.717 -13.112
  169    H    GLN  24           H        GLN  24  -3.106  -3.116 -10.501
  170    HA   GLN  24           HA       GLN  24  -5.281  -4.783 -11.048
  171   1HB   GLN  24          2HB       GLN  24  -4.595  -6.766  -9.692
  172   2HB   GLN  24          1HB       GLN  24  -3.710  -6.613 -11.203
  173   1HG   GLN  24          2HG       GLN  24  -2.413  -5.311  -8.937
  174   2HG   GLN  24          1HG       GLN  24  -2.608  -7.052  -8.753
  175   1HE2  GLN  24          1HE2      GLN  24  -0.437  -4.886  -9.624
  176   2HE2  GLN  24          2HE2      GLN  24   0.417  -5.738 -10.874
  177    H    TYR  25           H        TYR  25  -5.994  -5.754  -8.710
  178    HA   TYR  25           HA       TYR  25  -5.886  -3.411  -6.939
  179   1HB   TYR  25          2HB       TYR  25  -7.801  -5.686  -6.539
  180   2HB   TYR  25          1HB       TYR  25  -7.994  -3.978  -6.132
  181    HD1  TYR  25           1HD      TYR  25  -7.726  -2.444  -8.412
  182    HD2  TYR  25           2HD      TYR  25  -9.233  -6.418  -8.176
  183    HE1  TYR  25           1HE      TYR  25  -8.932  -2.110 -10.528
  184    HE2  TYR  25           2HE      TYR  25 -10.442  -6.091 -10.290
  185    HH   TYR  25           HH       TYR  25 -10.054  -3.125 -12.183
  186    H    TRP  26           H        TRP  26  -5.509  -3.680  -4.715
  187    HA   TRP  26           HA       TRP  26  -4.234  -6.228  -3.984
  188   1HB   TRP  26          2HB       TRP  26  -3.174  -3.460  -3.374
  189   2HB   TRP  26          1HB       TRP  26  -2.458  -4.975  -2.841
  190    HD1  TRP  26           HD       TRP  26  -2.658  -2.645  -5.809
  191    HE1  TRP  26           1HE      TRP  26  -1.018  -3.456  -7.611
  192    HE3  TRP  26           3HE      TRP  26  -1.432  -7.158  -3.773
  193    HZ2  TRP  26           2HZ      TRP  26   0.589  -5.742  -8.112
  194    HZ3  TRP  26           3HZ      TRP  26   0.156  -8.607  -4.976
  195    HH2  TRP  26           HH       TRP  26   1.153  -7.908  -7.095
  196    H    HIS  27           H        HIS  27  -3.365  -5.266  -1.503
  197    HA   HIS  27           HA       HIS  27  -5.849  -4.614  -0.086
  198   1HB   HIS  27          2HB       HIS  27  -4.058  -6.943   0.309
  199   2HB   HIS  27          1HB       HIS  27  -4.587  -6.117   1.769
  200    HD2  HIS  27           2HD      HIS  27  -7.619  -5.674   1.445
  201    HE1  HIS  27           1HE      HIS  27  -7.840  -9.666   0.061
  202    HE2  HIS  27           2HE      HIS  27  -9.121  -7.776   1.177
  203    H    GLU  28           H        GLU  28  -5.499  -3.519   1.917
  204    HA   GLU  28           HA       GLU  28  -3.420  -1.610   1.844
  205   1HB   GLU  28          2HB       GLU  28  -5.731  -2.235   3.491
  206   2HB   GLU  28          1HB       GLU  28  -4.372  -1.695   4.466
  207   1HG   GLU  28          2HG       GLU  28  -4.222   0.246   2.774
  208   2HG   GLU  28          1HG       GLU  28  -5.864  -0.224   2.335
  209    H    ASP  29           H        ASP  29  -3.841  -4.667   3.551
  210    HA   ASP  29           HA       ASP  29  -1.218  -4.285   4.813
  211   1HB   ASP  29          2HB       ASP  29  -3.310  -4.799   6.194
  212   2HB   ASP  29          1HB       ASP  29  -3.211  -6.426   5.527
  213    H    CYS  30           H        CYS  30  -2.290  -5.586   2.082
  214    HA   CYS  30           HA       CYS  30  -0.751  -8.054   2.208
  215   1HB   CYS  30          2HB       CYS  30  -2.758  -6.917   0.381
  216   2HB   CYS  30          1HB       CYS  30  -1.426  -7.731  -0.429
  217    H    LEU  31           H        LEU  31  -0.649  -4.846   0.815
  218    HA   LEU  31           HA       LEU  31   1.956  -5.326  -0.386
  219   1HB   LEU  31          2HB       LEU  31   0.087  -2.975  -0.353
  220   2HB   LEU  31          1HB       LEU  31   1.716  -2.855  -0.987
  221    HG   LEU  31           HG       LEU  31  -0.660  -4.238  -2.115
  222   1HD1  LEU  31          1HD1      LEU  31  -0.150  -3.072  -4.005
  223   2HD1  LEU  31          2HD1      LEU  31   0.558  -1.995  -2.800
  224   3HD1  LEU  31          3HD1      LEU  31   1.587  -3.113  -3.695
  225   1HD2  LEU  31          1HD2      LEU  31   1.061  -6.015  -1.728
  226   2HD2  LEU  31          2HD2      LEU  31   0.627  -5.759  -3.418
  227   3HD2  LEU  31          3HD2      LEU  31   2.142  -5.110  -2.789
  228    H    SER  32           H        SER  32   3.358  -5.621   1.319
  229    HA   SER  32           HA       SER  32   3.963  -3.262   2.898
  230   1HB   SER  32          2HB       SER  32   4.432  -5.436   4.621
  231   2HB   SER  32          1HB       SER  32   3.233  -4.160   4.796
  232    HG   SER  32           HG       SER  32   1.900  -5.491   3.347
  233    H    CYS  33           H        CYS  33   5.531  -6.181   3.756
  234    HA   CYS  33           HA       CYS  33   8.070  -5.108   2.939
  235   1HB   CYS  33          2HB       CYS  33   7.069  -7.166   4.763
  236   2HB   CYS  33          1HB       CYS  33   8.546  -7.633   3.932
  237    H    ASP  34           H        ASP  34   8.647  -5.326   0.853
  238    HA   ASP  34           HA       ASP  34   7.918  -7.755  -0.606
  239   1HB   ASP  34          2HB       ASP  34   7.652  -5.356  -1.513
  240   2HB   ASP  34          1HB       ASP  34   9.393  -5.396  -1.747
  241    H    LEU  35           H        LEU  35  10.771  -5.810   0.143
  242    HA   LEU  35           HA       LEU  35  12.687  -7.412  -1.093
  243   1HB   LEU  35          2HB       LEU  35  13.412  -5.293  -0.414
  244   2HB   LEU  35          1HB       LEU  35  12.797  -5.498   1.217
  245    HG   LEU  35           HG       LEU  35  14.745  -7.498   0.878
  246   1HD1  LEU  35          1HD1      LEU  35  15.977  -4.873   0.151
  247   2HD1  LEU  35          2HD1      LEU  35  16.649  -6.499   0.021
  248   3HD1  LEU  35          3HD1      LEU  35  15.393  -5.972  -1.098
  249   1HD2  LEU  35          1HD2      LEU  35  14.202  -5.184   2.546
  250   2HD2  LEU  35          2HD2      LEU  35  14.883  -6.754   2.971
  251   3HD2  LEU  35          3HD2      LEU  35  15.928  -5.482   2.339
  252    H    CYS  36           H        CYS  36  11.510  -7.460   2.234
  253    HA   CYS  36           HA       CYS  36  13.070  -9.700   3.019
  254   1HB   CYS  36          2HB       CYS  36  10.534  -8.665   4.298
  255   2HB   CYS  36          1HB       CYS  36  11.809  -9.609   5.066
  256    H    GLY  37           H        GLY  37   9.794  -9.262   1.824
  257   1HA   GLY  37          1HA       GLY  37   8.421 -10.724   0.719
  258   2HA   GLY  37          2HA       GLY  37   9.773 -11.850   0.690
  259    H    CYS  38           H        CYS  38   9.039 -10.892   3.841
  260    HA   CYS  38           HA       CYS  38   8.242 -13.485   4.600
  261   1HB   CYS  38          2HB       CYS  38   7.960 -10.893   6.125
  262   2HB   CYS  38          1HB       CYS  38   7.850 -12.509   6.816
  263    HG   CYS  38           HG       CYS  38  10.627 -12.803   5.494
  264    H    ARG  39           H        ARG  39   6.340 -10.462   4.687
  265    HA   ARG  39           HA       ARG  39   3.885 -11.925   4.926
  266   1HB   ARG  39          2HB       ARG  39   4.647  -9.323   5.439
  267   2HB   ARG  39          1HB       ARG  39   3.649  -9.161   3.999
  268   1HG   ARG  39          2HG       ARG  39   2.614 -10.834   6.214
  269   2HG   ARG  39          1HG       ARG  39   2.628  -9.083   6.434
  270   1HD   ARG  39          2HD       ARG  39   1.543  -9.086   4.048
  271   2HD   ARG  39          1HD       ARG  39   1.110 -10.742   4.470
  272    HE   ARG  39           HE       ARG  39   0.109  -8.293   5.706
  273   1HH1  ARG  39          2HH1      ARG  39   0.187 -11.799   5.651
  274   2HH1  ARG  39          1HH1      ARG  39  -1.227 -11.969   6.646
  275   1HH2  ARG  39          2HH2      ARG  39  -1.732  -8.519   7.045
  276   2HH2  ARG  39          1HH2      ARG  39  -2.304 -10.115   7.445
  277    H    LEU  40           H        LEU  40   4.856  -9.556   2.447
  278    HA   LEU  40           HA       LEU  40   2.993 -10.102   0.592
  279   1HB   LEU  40          2HB       LEU  40   5.838  -9.239   0.271
  280   2HB   LEU  40          1HB       LEU  40   4.812  -9.451  -1.138
  281    HG   LEU  40           HG       LEU  40   3.237  -7.802  -0.258
  282   1HD1  LEU  40          1HD1      LEU  40   5.149  -7.774   2.047
  283   2HD1  LEU  40          2HD1      LEU  40   4.037  -6.443   1.723
  284   3HD1  LEU  40          3HD1      LEU  40   3.407  -8.056   2.064
  285   1HD2  LEU  40          1HD2      LEU  40   4.408  -6.188  -1.239
  286   2HD2  LEU  40          2HD2      LEU  40   5.593  -6.171   0.070
  287   3HD2  LEU  40          3HD2      LEU  40   5.780  -7.298  -1.273
  288    H    GLY  41           H        GLY  41   6.198 -11.662   0.458
  289   1HA   GLY  41          1HA       GLY  41   6.652 -13.839  -0.388
  290   2HA   GLY  41          2HA       GLY  41   4.995 -13.909  -1.000
  291    H    GLU  42           H        GLU  42   8.199 -12.715  -1.515
  292    HA   GLU  42           HA       GLU  42   7.508 -11.031  -3.699
  293   1HB   GLU  42          2HB       GLU  42  10.023 -10.824  -3.935
  294   2HB   GLU  42          1HB       GLU  42   9.341 -10.333  -2.391
  295   1HG   GLU  42          2HG       GLU  42  10.922 -11.598  -1.483
  296   2HG   GLU  42          1HG       GLU  42   9.921 -12.967  -1.960
  297    H    VAL  43           H        VAL  43   7.643 -14.297  -3.678
  298    HA   VAL  43           HA       VAL  43   9.029 -14.511  -6.234
  299    HB   VAL  43           HB       VAL  43   8.584 -17.014  -5.899
  300   1HG1  VAL  43          1HG1      VAL  43  10.425 -17.026  -4.044
  301   2HG1  VAL  43          2HG1      VAL  43  10.779 -16.404  -5.654
  302   3HG1  VAL  43          3HG1      VAL  43  10.439 -15.287  -4.333
  303   1HG2  VAL  43          1HG2      VAL  43   7.267 -17.575  -4.199
  304   2HG2  VAL  43          2HG2      VAL  43   8.569 -17.077  -3.120
  305   3HG2  VAL  43          3HG2      VAL  43   7.296 -15.936  -3.548
  306    H    GLY  44           H        GLY  44   6.029 -13.590  -5.578
  307   1HA   GLY  44          1HA       GLY  44   5.072 -13.757  -8.050
  308   2HA   GLY  44          2HA       GLY  44   4.685 -15.364  -7.475
  309    H    ARG  45           H        ARG  45   4.388 -13.055  -4.958
  310    HA   ARG  45           HA       ARG  45   1.484 -13.130  -5.424
  311   1HB   ARG  45          2HB       ARG  45   2.986 -12.861  -2.823
  312   2HB   ARG  45          1HB       ARG  45   1.242 -12.805  -2.984
  313   1HG   ARG  45          2HG       ARG  45   1.249 -15.101  -3.816
  314   2HG   ARG  45          1HG       ARG  45   3.006 -15.157  -3.619
  315   1HD   ARG  45          2HD       ARG  45   1.993 -16.165  -1.685
  316   2HD   ARG  45          1HD       ARG  45   2.698 -14.612  -1.221
  317    HE   ARG  45           HE       ARG  45   0.176 -13.915  -1.759
  318   1HH1  ARG  45          2HH1      ARG  45   1.464 -16.568   0.136
  319   2HH1  ARG  45          1HH1      ARG  45   0.121 -16.591   1.246
  320   1HH2  ARG  45          2HH2      ARG  45  -1.574 -13.932  -0.290
  321   2HH2  ARG  45          1HH2      ARG  45  -1.587 -15.080   1.015
  322    H    ARG  46           H        ARG  46   2.855 -11.156  -2.979
  323    HA   ARG  46           HA       ARG  46   1.565  -8.835  -4.197
  324   1HB   ARG  46          2HB       ARG  46   2.586  -8.733  -1.409
  325   2HB   ARG  46          1HB       ARG  46   1.053  -8.173  -2.066
  326   1HG   ARG  46          2HG       ARG  46   0.229 -10.469  -2.126
  327   2HG   ARG  46          1HG       ARG  46   1.773 -11.053  -1.506
  328   1HD   ARG  46          2HD       ARG  46   0.979  -9.088   0.294
  329   2HD   ARG  46          1HD       ARG  46  -0.502  -9.963  -0.091
  330    HE   ARG  46           HE       ARG  46   1.944 -11.338   0.807
  331   1HH1  ARG  46          2HH1      ARG  46  -1.483 -10.691   1.126
  332   2HH1  ARG  46          1HH1      ARG  46  -1.755 -12.020   2.220
  333   1HH2  ARG  46          2HH2      ARG  46   1.606 -13.038   2.289
  334   2HH2  ARG  46          1HH2      ARG  46  -0.001 -13.362   2.878
  335    H    LEU  47           H        LEU  47   2.618  -6.664  -3.948
  336    HA   LEU  47           HA       LEU  47   5.485  -6.735  -3.555
  337   1HB   LEU  47          2HB       LEU  47   5.669  -5.387  -5.804
  338   2HB   LEU  47          1HB       LEU  47   5.819  -7.128  -5.737
  339    HG   LEU  47           HG       LEU  47   3.258  -7.094  -6.281
  340   1HD1  LEU  47          1HD1      LEU  47   3.609  -4.414  -6.122
  341   2HD1  LEU  47          2HD1      LEU  47   3.836  -4.679  -7.851
  342   3HD1  LEU  47          3HD1      LEU  47   2.342  -5.195  -7.067
  343   1HD2  LEU  47          1HD2      LEU  47   4.357  -8.089  -7.971
  344   2HD2  LEU  47          2HD2      LEU  47   4.178  -6.534  -8.784
  345   3HD2  LEU  47          3HD2      LEU  47   5.675  -6.917  -7.931
  346    H    TYR  48           H        TYR  48   6.449  -4.902  -3.126
  347    HA   TYR  48           HA       TYR  48   4.989  -2.361  -3.327
  348   1HB   TYR  48          2HB       TYR  48   5.700  -3.500  -0.855
  349   2HB   TYR  48          1HB       TYR  48   6.988  -2.354  -1.197
  350    HD1  TYR  48           1HD      TYR  48   3.269  -2.561  -1.150
  351    HD2  TYR  48           2HD      TYR  48   6.704  -0.117  -0.530
  352    HE1  TYR  48           1HE      TYR  48   1.834  -0.770  -0.275
  353    HE2  TYR  48           2HE      TYR  48   5.271   1.672   0.348
  354    HH   TYR  48           HH       TYR  48   2.814   2.375   0.103
  355    H    TYR  49           H        TYR  49   6.114  -1.952  -5.244
  356    HA   TYR  49           HA       TYR  49   9.021  -2.252  -5.027
  357   1HB   TYR  49          2HB       TYR  49   9.026  -3.573  -6.858
  358   2HB   TYR  49          1HB       TYR  49   7.367  -3.866  -6.354
  359    HD1  TYR  49           1HD      TYR  49   9.463  -2.941  -9.010
  360    HD2  TYR  49           2HD      TYR  49   5.564  -2.292  -7.440
  361    HE1  TYR  49           1HE      TYR  49   8.687  -2.208 -11.238
  362    HE2  TYR  49           2HE      TYR  49   4.783  -1.547  -9.649
  363    HH   TYR  49           HH       TYR  49   6.225  -2.152 -12.421
  364    H    LYS  50           H        LYS  50  10.431  -0.990  -6.148
  365    HA   LYS  50           HA       LYS  50   9.366   1.523  -7.183
  366   1HB   LYS  50          2HB       LYS  50  12.079   1.821  -7.187
  367   2HB   LYS  50          1HB       LYS  50  10.999   2.378  -5.922
  368   1HG   LYS  50          2HG       LYS  50  11.723   0.877  -4.470
  369   2HG   LYS  50          1HG       LYS  50  11.797  -0.386  -5.700
  370   1HD   LYS  50          2HD       LYS  50  14.036   0.034  -4.948
  371   2HD   LYS  50          1HD       LYS  50  13.875   0.701  -6.574
  372   1HE   LYS  50          2HE       LYS  50  13.449   2.926  -5.554
  373   2HE   LYS  50          1HE       LYS  50  13.777   2.221  -3.971
  374   1HZ   LYS  50          1HZ       LYS  50  16.000   1.918  -4.474
  375   2HZ   LYS  50          2HZ       LYS  50  15.664   3.416  -5.194
  376   3HZ   LYS  50          3HZ       LYS  50  15.760   2.016  -6.150
  377    H    LEU  51           H        LEU  51  10.781   2.394  -9.060
  378    HA   LEU  51           HA       LEU  51  10.243   1.527 -11.401
  379   1HB   LEU  51          2HB       LEU  51  13.016   1.815 -11.749
  380   2HB   LEU  51          1HB       LEU  51  11.759   3.009 -12.004
  381    HG   LEU  51           HG       LEU  51  12.069   3.284  -9.351
  382   1HD1  LEU  51          1HD1      LEU  51  14.623   3.301  -9.050
  383   2HD1  LEU  51          2HD1      LEU  51  13.773   1.760  -8.918
  384   3HD1  LEU  51          3HD1      LEU  51  14.642   2.165 -10.397
  385   1HD2  LEU  51          1HD2      LEU  51  13.173   5.283  -9.826
  386   2HD2  LEU  51          2HD2      LEU  51  14.017   4.595 -11.214
  387   3HD2  LEU  51          3HD2      LEU  51  12.288   4.925 -11.311
  388    H    GLY  52           H        GLY  52  13.203   0.109 -10.018
  389   1HA   GLY  52          1HA       GLY  52  12.628  -2.304 -11.626
  390   2HA   GLY  52          2HA       GLY  52  14.236  -1.609 -11.537
  391    H    ARG  53           H        ARG  53  12.486  -1.516  -8.587
  392    HA   ARG  53           HA       ARG  53  13.765  -4.006  -7.704
  393   1HB   ARG  53          2HB       ARG  53  13.859  -1.431  -6.131
  394   2HB   ARG  53          1HB       ARG  53  14.587  -2.966  -5.681
  395   1HG   ARG  53          2HG       ARG  53  15.701  -2.501  -8.121
  396   2HG   ARG  53          1HG       ARG  53  15.564  -0.877  -7.460
  397   1HD   ARG  53          2HD       ARG  53  17.366  -1.244  -6.219
  398   2HD   ARG  53          1HD       ARG  53  16.499  -2.533  -5.377
  399    HE   ARG  53           HE       ARG  53  17.597  -3.327  -7.910
  400   1HH1  ARG  53          2HH1      ARG  53  18.319  -2.892  -4.503
  401   2HH1  ARG  53          1HH1      ARG  53  19.541  -4.128  -4.471
  402   1HH2  ARG  53          2HH2      ARG  53  19.200  -4.961  -7.868
  403   2HH2  ARG  53          1HH2      ARG  53  20.037  -5.313  -6.380
  404    H    LYS  54           H        LYS  54  12.222  -5.275  -6.973
  405    HA   LYS  54           HA       LYS  54   9.791  -4.279  -5.763
  406   1HB   LYS  54          2HB       LYS  54  10.973  -6.979  -6.342
  407   2HB   LYS  54          1HB       LYS  54   9.645  -6.847  -5.202
  408   1HG   LYS  54          2HG       LYS  54   8.284  -5.784  -6.961
  409   2HG   LYS  54          1HG       LYS  54   9.616  -6.026  -8.095
  410   1HD   LYS  54          2HD       LYS  54   8.254  -7.869  -8.492
  411   2HD   LYS  54          1HD       LYS  54   9.471  -8.505  -7.383
  412   1HE   LYS  54          2HE       LYS  54   7.100  -7.336  -6.097
  413   2HE   LYS  54          1HE       LYS  54   6.789  -8.785  -7.053
  414   1HZ   LYS  54          1HZ       LYS  54   8.992  -9.469  -5.656
  415   2HZ   LYS  54          2HZ       LYS  54   7.401  -9.850  -5.212
  416   3HZ   LYS  54          3HZ       LYS  54   8.169  -8.492  -4.535
  417    H    LEU  55           H        LEU  55  10.340  -3.208  -3.810
  418    HA   LEU  55           HA       LEU  55  11.204  -4.931  -1.656
  419   1HB   LEU  55          2HB       LEU  55  13.302  -4.225  -1.319
  420   2HB   LEU  55          1HB       LEU  55  13.227  -3.807  -3.016
  421    HG   LEU  55           HG       LEU  55  12.666  -1.847  -0.792
  422   1HD1  LEU  55          1HD1      LEU  55  14.857  -1.738  -0.437
  423   2HD1  LEU  55          2HD1      LEU  55  15.152  -2.959  -1.675
  424   3HD1  LEU  55          3HD1      LEU  55  15.075  -1.254  -2.120
  425   1HD2  LEU  55          1HD2      LEU  55  11.805  -1.538  -3.213
  426   2HD2  LEU  55          2HD2      LEU  55  12.643  -0.204  -2.420
  427   3HD2  LEU  55          3HD2      LEU  55  13.496  -1.209  -3.590
  428    H    CYS  56           H        CYS  56  11.020  -4.038   0.443
  429    HA   CYS  56           HA       CYS  56   8.671  -2.555   0.765
  430   1HB   CYS  56          2HB       CYS  56  10.202  -2.487   3.153
  431   2HB   CYS  56          1HB       CYS  56   8.871  -3.573   2.739
  432    H    ARG  57           H        ARG  57   8.309  -0.475   1.519
  433    HA   ARG  57           HA       ARG  57  10.154   1.391   0.455
  434   1HB   ARG  57          2HB       ARG  57   7.470   1.393   0.822
  435   2HB   ARG  57          1HB       ARG  57   7.979   2.459   2.123
  436   1HG   ARG  57          2HG       ARG  57   7.447   3.293  -0.370
  437   2HG   ARG  57          1HG       ARG  57   8.561   4.115   0.721
  438   1HD   ARG  57          2HD       ARG  57   9.489   3.801  -1.546
  439   2HD   ARG  57          1HD       ARG  57  10.446   3.012  -0.295
  440    HE   ARG  57           HE       ARG  57   9.337   0.903  -1.006
  441   1HH1  ARG  57          2HH1      ARG  57   9.688   3.603  -3.203
  442   2HH1  ARG  57          1HH1      ARG  57   9.474   2.632  -4.634
  443   1HH2  ARG  57          2HH2      ARG  57   9.147  -0.400  -2.855
  444   2HH2  ARG  57          1HH2      ARG  57   9.203   0.340  -4.428
  445    H    ARG  58           H        ARG  58   8.913   1.034   3.765
  446    HA   ARG  58           HA       ARG  58  10.669   2.900   4.897
  447   1HB   ARG  58          2HB       ARG  58   9.154   0.567   6.082
  448   2HB   ARG  58          1HB       ARG  58  10.091   1.689   7.058
  449   1HG   ARG  58          2HG       ARG  58   7.960   2.554   7.216
  450   2HG   ARG  58          1HG       ARG  58   8.670   3.502   5.911
  451   1HD   ARG  58          2HD       ARG  58   6.381   2.781   5.398
  452   2HD   ARG  58          1HD       ARG  58   7.570   2.164   4.254
  453    HE   ARG  58           HE       ARG  58   7.432   0.051   5.703
  454   1HH1  ARG  58          2HH1      ARG  58   4.737   2.233   5.088
  455   2HH1  ARG  58          1HH1      ARG  58   3.531   0.990   5.287
  456   1HH2  ARG  58          2HH2      ARG  58   5.849  -1.577   5.918
  457   2HH2  ARG  58          1HH2      ARG  58   4.160  -1.180   5.758
  458    H    ASP  59           H        ASP  59  11.057  -0.407   3.991
  459    HA   ASP  59           HA       ASP  59  13.468  -0.786   5.521
  460   1HB   ASP  59          2HB       ASP  59  12.243  -2.493   3.330
  461   2HB   ASP  59          1HB       ASP  59  13.601  -2.965   4.345
  462    H    TYR  60           H        TYR  60  12.545  -0.079   2.203
  463    HA   TYR  60           HA       TYR  60  15.107  -0.139   1.041
  464   1HB   TYR  60          2HB       TYR  60  13.795   0.183  -0.741
  465   2HB   TYR  60          1HB       TYR  60  12.456   0.689   0.276
  466    HD1  TYR  60           1HD      TYR  60  11.958   3.037   0.601
  467    HD2  TYR  60           2HD      TYR  60  15.280   1.831  -1.772
  468    HE1  TYR  60           1HE      TYR  60  12.115   5.307  -0.325
  469    HE2  TYR  60           2HE      TYR  60  15.453   4.106  -2.691
  470    HH   TYR  60           HH       TYR  60  13.476   6.124  -2.960
  471    H    LEU  61           H        LEU  61  13.404   2.307   2.905
  472    HA   LEU  61           HA       LEU  61  15.302   4.340   2.276
  473   1HB   LEU  61          2HB       LEU  61  12.783   4.249   3.423
  474   2HB   LEU  61          1HB       LEU  61  13.823   4.789   4.732
  475    HG   LEU  61           HG       LEU  61  14.018   6.841   3.860
  476   1HD1  LEU  61          1HD1      LEU  61  14.101   6.070   0.992
  477   2HD1  LEU  61          2HD1      LEU  61  14.992   7.324   1.858
  478   3HD1  LEU  61          3HD1      LEU  61  15.469   5.633   2.019
  479   1HD2  LEU  61          1HD2      LEU  61  12.230   7.578   2.446
  480   2HD2  LEU  61          2HD2      LEU  61  11.970   5.939   1.843
  481   3HD2  LEU  61          3HD2      LEU  61  11.605   6.330   3.525
  482    H    ARG  62           H        ARG  62  15.479   1.663   4.306
  483    HA   ARG  62           HA       ARG  62  17.558   3.000   5.901
  484   1HB   ARG  62          2HB       ARG  62  15.553   0.993   6.570
  485   2HB   ARG  62          1HB       ARG  62  17.172   0.543   7.084
  486   1HG   ARG  62          2HG       ARG  62  15.764   3.116   7.764
  487   2HG   ARG  62          1HG       ARG  62  15.965   1.731   8.837
  488   1HD   ARG  62          2HD       ARG  62  17.715   3.023   9.533
  489   2HD   ARG  62          1HD       ARG  62  18.515   2.089   8.270
  490    HE   ARG  62           HE       ARG  62  17.431   4.786   7.754
  491   1HH1  ARG  62          2HH1      ARG  62  20.072   2.481   7.690
  492   2HH1  ARG  62          1HH1      ARG  62  21.112   3.514   6.754
  493   1HH2  ARG  62          2HH2      ARG  62  18.795   6.150   6.523
  494   2HH2  ARG  62          1HH2      ARG  62  20.386   5.596   6.095
  495    H    LEU  63           H        LEU  63  16.869  -0.117   4.283
  496    HA   LEU  63           HA       LEU  63  19.629  -0.894   4.362
  497   1HB   LEU  63          2HB       LEU  63  18.920  -2.911   3.683
  498   2HB   LEU  63          1HB       LEU  63  17.331  -2.288   4.071
  499    HG   LEU  63           HG       LEU  63  17.938  -1.559   1.382
  500   1HD1  LEU  63          1HD1      LEU  63  17.944  -4.517   1.561
  501   2HD1  LEU  63          2HD1      LEU  63  18.620  -3.453   0.329
  502   3HD1  LEU  63          3HD1      LEU  63  19.463  -3.674   1.861
  503   1HD2  LEU  63          1HD2      LEU  63  15.704  -1.746   1.899
  504   2HD2  LEU  63          2HD2      LEU  63  15.994  -3.264   1.050
  505   3HD2  LEU  63          3HD2      LEU  63  15.930  -3.238   2.813
  506    H    GLY  64           H        GLY  64  17.467   0.516   1.959
  507   1HA   GLY  64          1HA       GLY  64  19.572   0.669  -0.045
  508   2HA   GLY  64          2HA       GLY  64  17.932   1.288  -0.199
  509    H    GLY  65           H        GLY  65  18.342   2.473   2.563
  510   1HA   GLY  65          1HA       GLY  65  19.411   5.038   1.731
  511   2HA   GLY  65          2HA       GLY  65  18.713   4.649   3.295
  512    H    SER  66           H        SER  66  21.308   2.996   1.585
  513    HA   SER  66           HA       SER  66  22.798   2.606   3.919
  514   1HB   SER  66          2HB       SER  66  24.251   2.348   1.374
  515   2HB   SER  66          1HB       SER  66  23.959   1.152   2.639
  516    HG   SER  66           HG       SER  66  21.909   0.794   1.806
  517    H    GLY  67           H        GLY  67  22.457   5.481   2.503
  518   1HA   GLY  67          1HA       GLY  67  25.209   6.394   2.529
  519   2HA   GLY  67          2HA       GLY  67  23.775   7.395   2.331
  520    H    GLY  68           H        GLY  68  23.532   5.272   4.943
  521   1HA   GLY  68          1HA       GLY  68  23.665   5.526   7.219
  522   2HA   GLY  68          2HA       GLY  68  24.890   6.762   6.951
  523    H    HIS  69           H        HIS  69  24.371   8.802   7.332
  524    HA   HIS  69           HA       HIS  69  21.542   9.547   7.226
  525   1HB   HIS  69          2HB       HIS  69  22.859  11.248   9.107
  526   2HB   HIS  69          1HB       HIS  69  21.426  10.260   9.328
  527    HD2  HIS  69           2HD      HIS  69  21.732   8.070  10.907
  528    HE1  HIS  69           1HE      HIS  69  25.917   8.424  11.423
  529    HE2  HIS  69           2HE      HIS  69  23.849   7.094  12.047
  530    H    MET  70           H        MET  70  21.134  11.504   6.414
  531    HA   MET  70           HA       MET  70  23.414  12.976   5.265
  532   1HB   MET  70          2HB       MET  70  22.270  13.144   3.297
  533   2HB   MET  70          1HB       MET  70  21.399  11.757   3.933
  534   1HG   MET  70          2HG       MET  70  19.504  12.847   4.054
  535   2HG   MET  70          1HG       MET  70  20.253  14.205   4.880
  536   1HE   MET  70          1HE       MET  70  18.676  14.097   0.703
  537   2HE   MET  70          2HE       MET  70  19.049  12.639   1.622
  538   3HE   MET  70          3HE       MET  70  17.893  13.811   2.256
  539    H    GLY  71           H        GLY  71  20.424  12.985   6.925
  540   1HA   GLY  71          1HA       GLY  71  20.333  14.813   8.736
  541   2HA   GLY  71          2HA       GLY  71  20.541  15.894   7.362
  542    H    SER  72           H        SER  72  18.719  12.913   7.409
  543    HA   SER  72           HA       SER  72  16.306  14.454   6.746
  544   1HB   SER  72          2HB       SER  72  16.074  11.699   6.033
  545   2HB   SER  72          1HB       SER  72  16.139  13.106   4.971
  546    HG   SER  72           HG       SER  72  18.015  11.218   5.426
  547    H    GLY  73           H        GLY  73  14.562  12.185   6.952
  548   1HA   GLY  73          1HA       GLY  73  14.140  12.247   9.820
  549   2HA   GLY  73          2HA       GLY  73  13.048  11.580   8.617
  550    H    GLY  74           H        GLY  74  13.275   9.445   7.968
  551   1HA   GLY  74          1HA       GLY  74  14.005   7.242   8.097
  552   2HA   GLY  74          2HA       GLY  74  15.360   7.776   9.085
  553    H    ASP  75           H        ASP  75  15.261   7.550  11.226
  554    HA   ASP  75           HA       ASP  75  12.667   6.783  12.402
  555   1HB   ASP  75          2HB       ASP  75  14.194   4.942  12.668
  556   2HB   ASP  75          1HB       ASP  75  15.467   6.014  13.246
  557    H    VAL  76           H        VAL  76  11.928   8.748  12.925
  558    HA   VAL  76           HA       VAL  76  13.516  10.341  14.827
  559    HB   VAL  76           HB       VAL  76  12.027  11.243  12.373
  560   1HG1  VAL  76          1HG1      VAL  76  11.644  12.482  14.808
  561   2HG1  VAL  76          2HG1      VAL  76  12.926  13.431  14.055
  562   3HG1  VAL  76          3HG1      VAL  76  11.390  13.202  13.218
  563   1HG2  VAL  76          1HG2      VAL  76  14.718  10.935  13.030
  564   2HG2  VAL  76          2HG2      VAL  76  14.046  11.736  11.608
  565   3HG2  VAL  76          3HG2      VAL  76  14.426  12.673  13.053
  566    H    MET  77           H        MET  77  12.422  11.037  16.595
  567    HA   MET  77           HA       MET  77   9.890   9.911  17.176
  568   1HB   MET  77          2HB       MET  77  11.426  12.077  18.612
  569   2HB   MET  77          1HB       MET  77  10.030  11.221  19.259
  570   1HG   MET  77          2HG       MET  77  11.368   9.098  18.884
  571   2HG   MET  77          1HG       MET  77  12.751  10.153  18.651
  572   1HE   MET  77          1HE       MET  77  13.927  11.436  20.304
  573   2HE   MET  77          2HE       MET  77  13.972  10.979  22.007
  574   3HE   MET  77          3HE       MET  77  14.380   9.794  20.766
  575    H    VAL  78           H        VAL  78   8.253  10.581  15.899
  576    HA   VAL  78           HA       VAL  78   7.757  13.481  15.723
  577    HB   VAL  78           HB       VAL  78   6.231  12.802  13.771
  578   1HG1  VAL  78          1HG1      VAL  78   9.119  12.289  13.173
  579   2HG1  VAL  78          2HG1      VAL  78   7.927  13.194  12.240
  580   3HG1  VAL  78          3HG1      VAL  78   8.583  13.875  13.729
  581   1HG2  VAL  78          1HG2      VAL  78   7.984  10.350  13.773
  582   2HG2  VAL  78          2HG2      VAL  78   6.305  10.365  14.309
  583   3HG2  VAL  78          3HG2      VAL  78   6.699  10.749  12.634
  584    H    VAL  79           H        VAL  79   5.218  13.724  15.149
  585    HA   VAL  79           HA       VAL  79   3.908  12.874  17.558
  586    HB   VAL  79           HB       VAL  79   3.656  15.151  16.451
  587   1HG1  VAL  79          1HG1      VAL  79   2.521  13.484  14.379
  588   2HG1  VAL  79          2HG1      VAL  79   1.394  14.733  14.905
  589   3HG1  VAL  79          3HG1      VAL  79   3.000  15.177  14.328
  590   1HG2  VAL  79          1HG2      VAL  79   1.410  13.481  17.475
  591   2HG2  VAL  79          2HG2      VAL  79   2.242  14.839  18.233
  592   3HG2  VAL  79          3HG2      VAL  79   1.095  15.128  16.927
  593    H    GLY  80           H        GLY  80   4.242  11.560  14.463
  594   1HA   GLY  80          1HA       GLY  80   2.908   9.227  14.990
  595   2HA   GLY  80          2HA       GLY  80   1.699  10.263  14.244
  596    H    GLU  81           H        GLU  81   2.467  11.342  12.161
  597    HA   GLU  81           HA       GLU  81   3.685   9.244  10.511
  598   1HB   GLU  81          2HB       GLU  81   2.473  11.723   9.351
  599   2HB   GLU  81          1HB       GLU  81   2.541  10.099   8.685
  600   1HG   GLU  81          2HG       GLU  81   0.798  10.954  10.983
  601   2HG   GLU  81          1HG       GLU  81   0.271  10.781   9.310
  602    HA   PRO  82           HA       PRO  82   7.352  11.667  10.028
  603   1HB   PRO  82          2HB       PRO  82   7.900  10.398   7.490
  604   2HB   PRO  82          1HB       PRO  82   8.692  10.142   9.045
  605   1HG   PRO  82          2HG       PRO  82   7.120   8.266   7.820
  606   2HG   PRO  82          1HG       PRO  82   7.358   8.357   9.575
  607   1HD   PRO  82          2HD       PRO  82   5.055   9.312   7.919
  608   2HD   PRO  82          1HD       PRO  82   5.052   8.533   9.517
  609    H    THR  83           H        THR  83   8.094  13.425   8.902
  610    HA   THR  83           HA       THR  83   6.316  14.444   6.801
  611    HB   THR  83           HB       THR  83   7.730  16.615   7.742
  612    HG1  THR  83           1HG      THR  83   6.916  15.226  10.075
  613   1HG2  THR  83          1HG2      THR  83   5.372  16.672   7.328
  614   2HG2  THR  83          2HG2      THR  83   5.630  17.120   9.016
  615   3HG2  THR  83          3HG2      THR  83   5.069  15.498   8.608
  616    H    LEU  84           H        LEU  84   7.414  16.000   5.271
  617    HA   LEU  84           HA       LEU  84   9.711  14.757   4.107
  618   1HB   LEU  84          2HB       LEU  84   8.576  17.487   3.474
  619   2HB   LEU  84          1HB       LEU  84   9.599  16.504   2.443
  620    HG   LEU  84           HG       LEU  84   6.930  15.455   3.298
  621   1HD1  LEU  84          1HD1      LEU  84   7.132  16.981   0.757
  622   2HD1  LEU  84          2HD1      LEU  84   5.735  16.674   1.790
  623   3HD1  LEU  84          3HD1      LEU  84   6.926  17.884   2.259
  624   1HD2  LEU  84          1HD2      LEU  84   7.676  13.786   2.032
  625   2HD2  LEU  84          2HD2      LEU  84   7.445  14.854   0.647
  626   3HD2  LEU  84          3HD2      LEU  84   9.025  14.749   1.425
  627    H    MET  85           H        MET  85  11.469  14.817   5.397
  628    HA   MET  85           HA       MET  85  12.309  17.423   6.465
  629   1HB   MET  85          2HB       MET  85  11.897  14.962   7.726
  630   2HB   MET  85          1HB       MET  85  13.644  15.126   7.629
  631   1HG   MET  85          2HG       MET  85  13.675  16.626   9.259
  632   2HG   MET  85          1HG       MET  85  12.414  17.588   8.491
  633   1HE   MET  85          1HE       MET  85  11.749  14.123  11.440
  634   2HE   MET  85          2HE       MET  85  11.881  13.747   9.723
  635   3HE   MET  85          3HE       MET  85  13.237  14.493  10.565
  636    H    GLY  86           H        GLY  86  12.915  16.608   3.788
  637   1HA   GLY  86          1HA       GLY  86  14.945  17.191   2.624
  638   2HA   GLY  86          2HA       GLY  86  15.858  16.538   3.980
  639    H    GLY  87           H        GLY  87  14.361  14.174   4.298
  640   1HA   GLY  87          1HA       GLY  87  14.006  12.680   1.958
  641   2HA   GLY  87          2HA       GLY  87  15.655  12.425   2.519
  642    H    GLU  88           H        GLU  88  14.917  10.201   2.757
  643    HA   GLU  88           HA       GLU  88  14.009   8.428   3.864
  644   1HB   GLU  88          2HB       GLU  88  15.516  10.108   5.835
  645   2HB   GLU  88          1HB       GLU  88  14.929   8.504   6.224
  646   1HG   GLU  88          2HG       GLU  88  16.286   7.497   4.570
  647   2HG   GLU  88          1HG       GLU  88  16.704   9.061   3.877
  648    H    PHE  89           H        PHE  89  11.767   8.898   3.626
  649    HA   PHE  89           HA       PHE  89  10.445   9.927   6.030
  650   1HB   PHE  89          2HB       PHE  89   8.831   9.169   3.663
  651   2HB   PHE  89          1HB       PHE  89   8.712  10.587   4.702
  652    HD1  PHE  89           1HD      PHE  89  10.192   9.181   1.692
  653    HD2  PHE  89           2HD      PHE  89  10.090  12.559   4.279
  654    HE1  PHE  89           1HE      PHE  89  11.317  10.531  -0.031
  655    HE2  PHE  89           2HE      PHE  89  11.214  13.912   2.558
  656    HZ   PHE  89           HZ       PHE  89  11.831  12.893   0.404
  657    H    GLY  90           H        GLY  90   7.994   8.392   5.165
  658   1HA   GLY  90          1HA       GLY  90   8.738   5.835   6.398
  659   2HA   GLY  90          2HA       GLY  90   7.098   6.440   6.170
  660    H    ASP  91           H        ASP  91   6.163   6.360   4.082
  661    HA   ASP  91           HA       ASP  91   7.613   4.723   2.154
  662   1HB   ASP  91          2HB       ASP  91   5.158   3.985   1.519
  663   2HB   ASP  91          1HB       ASP  91   6.046   3.180   2.802
  664    H    GLU  92           H        GLU  92   4.564   5.462   1.096
  665    HA   GLU  92           HA       GLU  92   3.672   6.900  -0.422
  666   1HB   GLU  92          2HB       GLU  92   5.539   8.742   1.035
  667   2HB   GLU  92          1HB       GLU  92   4.519   9.311  -0.280
  668   1HG   GLU  92          2HG       GLU  92   2.550   8.886   0.912
  669   2HG   GLU  92          1HG       GLU  92   3.380   7.858   2.079
  670    H    ASP  93           H        ASP  93   6.831   6.002  -0.541
  671    HA   ASP  93           HA       ASP  93   7.569   7.482  -2.920
  672   1HB   ASP  93          2HB       ASP  93   9.241   7.215  -1.187
  673   2HB   ASP  93          1HB       ASP  93   9.052   5.467  -1.219
  674    H    GLU  94           H        GLU  94   6.000   4.608  -2.197
  675    HA   GLU  94           HA       GLU  94   6.904   2.761  -4.049
  676   1HB   GLU  94          2HB       GLU  94   4.504   1.940  -4.053
  677   2HB   GLU  94          1HB       GLU  94   5.283   2.062  -2.479
  678   1HG   GLU  94          2HG       GLU  94   3.777   4.437  -3.365
  679   2HG   GLU  94          1HG       GLU  94   2.826   2.997  -3.006
  680    H    ARG  95           H        ARG  95   6.526   2.334  -6.163
  681    HA   ARG  95           HA       ARG  95   6.465   4.437  -7.901
  682   1HB   ARG  95          2HB       ARG  95   7.081   1.873  -8.182
  683   2HB   ARG  95          1HB       ARG  95   5.476   1.810  -8.901
  684   1HG   ARG  95          2HG       ARG  95   6.066   3.304 -10.614
  685   2HG   ARG  95          1HG       ARG  95   7.547   3.791  -9.790
  686   1HD   ARG  95          2HD       ARG  95   8.559   2.311 -11.133
  687   2HD   ARG  95          1HD       ARG  95   7.894   1.091 -10.048
  688    HE   ARG  95           HE       ARG  95   6.479   0.423 -11.713
  689   1HH1  ARG  95          2HH1      ARG  95   7.858   3.533 -12.573
  690   2HH1  ARG  95          1HH1      ARG  95   7.071   3.596 -14.125
  691   1HH2  ARG  95          2HH2      ARG  95   5.467   0.489 -13.762
  692   2HH2  ARG  95          1HH2      ARG  95   5.706   1.868 -14.797
  693    H    LEU  96           H        LEU  96   3.882   2.003  -8.137
  694    HA   LEU  96           HA       LEU  96   1.996   4.224  -8.561
  695   1HB   LEU  96          2HB       LEU  96   1.368   1.783 -10.032
  696   2HB   LEU  96          1HB       LEU  96   1.367   3.452 -10.571
  697    HG   LEU  96           HG       LEU  96   4.073   2.590 -10.240
  698   1HD1  LEU  96          1HD1      LEU  96   2.382   0.473 -10.986
  699   2HD1  LEU  96          2HD1      LEU  96   3.223   0.990 -12.447
  700   3HD1  LEU  96          3HD1      LEU  96   4.143   0.518 -11.018
  701   1HD2  LEU  96          1HD2      LEU  96   3.184   2.870 -12.970
  702   2HD2  LEU  96          2HD2      LEU  96   2.530   4.153 -11.952
  703   3HD2  LEU  96          3HD2      LEU  96   4.272   3.892 -12.030
  704    H    ILE  97           H        ILE  97   1.226   3.987  -6.418
  705    HA   ILE  97           HA       ILE  97  -0.967   2.168  -6.341
  706    HB   ILE  97           HB       ILE  97   0.019   1.768  -3.754
  707   1HG1  ILE  97          2HG1      ILE  97   2.023   0.878  -5.838
  708   2HG1  ILE  97          1HG1      ILE  97   2.295   2.151  -4.654
  709   1HG2  ILE  97          1HG2      ILE  97  -1.389   0.401  -5.603
  710   2HG2  ILE  97          2HG2      ILE  97   0.126  -0.503  -5.613
  711   3HG2  ILE  97          3HG2      ILE  97  -0.771  -0.301  -4.105
  712   1HD1  ILE  97          1HD1      ILE  97   3.372   0.295  -3.764
  713   2HD1  ILE  97          2HD1      ILE  97   1.836   0.345  -2.898
  714   3HD1  ILE  97          3HD1      ILE  97   2.067  -0.800  -4.219
  715    H    THR  98           H        THR  98  -2.592   3.219  -5.520
  716    HA   THR  98           HA       THR  98  -2.102   5.455  -3.714
  717    HB   THR  98           HB       THR  98  -4.642   5.776  -4.687
  718    HG1  THR  98           1HG      THR  98  -3.179   5.145  -7.010
  719   1HG2  THR  98          1HG2      THR  98  -3.673   7.511  -6.110
  720   2HG2  THR  98          2HG2      THR  98  -2.085   6.767  -5.923
  721   3HG2  THR  98          3HG2      THR  98  -2.892   7.487  -4.529
  722    H    ARG  99           H        ARG  99  -3.180   5.517  -1.815
  723    HA   ARG  99           HA       ARG  99  -4.548   3.163  -0.875
  724   1HB   ARG  99          2HB       ARG  99  -4.180   5.916   0.317
  725   2HB   ARG  99          1HB       ARG  99  -4.989   4.592   1.143
  726   1HG   ARG  99          2HG       ARG  99  -2.188   4.317   0.128
  727   2HG   ARG  99          1HG       ARG  99  -2.535   5.050   1.695
  728   1HD   ARG  99          2HD       ARG  99  -3.460   2.305   0.854
  729   2HD   ARG  99          1HD       ARG  99  -2.004   2.617   1.800
  730    HE   ARG  99           HE       ARG  99  -4.687   2.553   2.757
  731   1HH1  ARG  99          2HH1      ARG  99  -1.574   4.097   3.274
  732   2HH1  ARG  99          1HH1      ARG  99  -1.912   4.469   4.941
  733   1HH2  ARG  99          2HH2      ARG  99  -5.099   2.997   4.922
  734   2HH2  ARG  99          1HH2      ARG  99  -3.912   3.836   5.874
  735    H    LEU 100           H        LEU 100  -6.295   2.869  -2.149
  736    HA   LEU 100           HA       LEU 100  -7.994   5.156  -2.715
  737   1HB   LEU 100          2HB       LEU 100  -6.974   3.190  -4.288
  738   2HB   LEU 100          1HB       LEU 100  -8.589   2.576  -3.991
  739    HG   LEU 100           HG       LEU 100  -8.790   5.334  -4.681
  740   1HD1  LEU 100          1HD1      LEU 100  -6.542   4.950  -5.693
  741   2HD1  LEU 100          2HD1      LEU 100  -7.281   3.731  -6.733
  742   3HD1  LEU 100          3HD1      LEU 100  -7.794   5.415  -6.846
  743   1HD2  LEU 100          1HD2      LEU 100  -9.500   3.277  -6.667
  744   2HD2  LEU 100          2HD2      LEU 100 -10.212   3.073  -5.065
  745   3HD2  LEU 100          3HD2      LEU 100 -10.480   4.565  -5.967
  746    H    GLU 101           H        GLU 101 -10.325   4.478  -3.171
  747    HA   GLU 101           HA       GLU 101 -11.410   3.338  -0.707
  748   1HB   GLU 101          2HB       GLU 101 -13.014   4.618  -2.912
  749   2HB   GLU 101          1HB       GLU 101 -13.425   4.461  -1.209
  750   1HG   GLU 101          2HG       GLU 101 -11.588   6.037  -0.673
  751   2HG   GLU 101          1HG       GLU 101 -11.332   6.267  -2.401
  752    H    ASN 102           H        ASN 102 -12.283   1.380  -0.672
  753    HA   ASN 102           HA       ASN 102 -11.731  -0.521  -2.513
  754   1HB   ASN 102          2HB       ASN 102 -12.790  -0.645  -0.082
  755   2HB   ASN 102          1HB       ASN 102 -14.273  -0.904  -1.004
  756   1HD2  ASN 102          1HD2      ASN 102 -14.707  -3.000  -0.897
  757   2HD2  ASN 102          2HD2      ASN 102 -13.572  -4.278  -1.226
  758    H    THR 103           H        THR 103 -15.130   0.499  -2.063
  759    HA   THR 103           HA       THR 103 -15.409   0.476  -4.977
  760    HB   THR 103           HB       THR 103 -17.686  -0.670  -3.451
  761    HG1  THR 103           1HG      THR 103 -15.196  -1.960  -3.890
  762   1HG2  THR 103          1HG2      THR 103 -16.573  -0.709  -6.188
  763   2HG2  THR 103          2HG2      THR 103 -18.251  -0.689  -5.644
  764   3HG2  THR 103          3HG2      THR 103 -17.341  -2.199  -5.638
  765    H    GLN 104           H        GLN 104 -18.036   0.704  -2.602
  766    HA   GLN 104           HA       GLN 104 -18.201   3.578  -3.183
  767   1HB   GLN 104          2HB       GLN 104 -20.424   1.551  -3.458
  768   2HB   GLN 104          1HB       GLN 104 -20.690   3.288  -3.435
  769   1HG   GLN 104          2HG       GLN 104 -18.729   2.903  -5.361
  770   2HG   GLN 104          1HG       GLN 104 -19.863   1.576  -5.597
  771   1HE2  GLN 104          1HE2      GLN 104 -19.299   4.925  -5.908
  772   2HE2  GLN 104          2HE2      GLN 104 -20.828   5.347  -6.626
  773    H    PHE 105           H        PHE 105 -17.201   2.597  -0.795
  774    HA   PHE 105           HA       PHE 105 -19.297   2.551   1.186
  775   1HB   PHE 105          2HB       PHE 105 -16.964   1.451   1.380
  776   2HB   PHE 105          1HB       PHE 105 -16.391   3.064   1.788
  777    HD1  PHE 105           1HD      PHE 105 -15.790   1.275   3.774
  778    HD2  PHE 105           2HD      PHE 105 -19.588   3.036   3.009
  779    HE1  PHE 105           1HE      PHE 105 -16.427   0.911   6.121
  780    HE2  PHE 105           2HE      PHE 105 -20.231   2.678   5.358
  781    HZ   PHE 105           HZ       PHE 105 -18.650   1.613   6.917
  782    H    ASP 106           H        ASP 106 -20.116   4.571   0.080
  783    HA   ASP 106           HA       ASP 106 -18.829   7.061   0.567
  784   1HB   ASP 106          2HB       ASP 106 -20.878   6.275  -1.028
  785   2HB   ASP 106          1HB       ASP 106 -21.773   7.030   0.284
  786    H    ALA 107           H        ALA 107 -21.788   5.672   1.934
  787    HA   ALA 107           HA       ALA 107 -21.045   6.819   4.520
  788   1HB   ALA 107          1HB       ALA 107 -22.934   8.055   3.155
  789   2HB   ALA 107          2HB       ALA 107 -23.930   6.771   3.840
  790   3HB   ALA 107          3HB       ALA 107 -23.035   7.855   4.904
  791    H    ALA 108           H        ALA 108 -23.299   4.648   2.879
  792    HA   ALA 108           HA       ALA 108 -23.082   2.805   5.160
  793   1HB   ALA 108          1HB       ALA 108 -25.243   3.412   3.261
  794   2HB   ALA 108          2HB       ALA 108 -25.025   1.705   3.640
  795   3HB   ALA 108          3HB       ALA 108 -25.320   2.865   4.934
  796    H    ASN 109           H        ASN 109 -22.541   0.650   4.814
  797    HA   ASN 109           HA       ASN 109 -20.699   0.295   2.618
  798   1HB   ASN 109          2HB       ASN 109 -20.380  -0.314   5.130
  799   2HB   ASN 109          1HB       ASN 109 -21.250  -1.787   4.708
  800   1HD2  ASN 109          1HD2      ASN 109 -19.474  -3.069   5.126
  801   2HD2  ASN 109          2HD2      ASN 109 -18.094  -3.119   4.063
  802    H    GLY 110           H        GLY 110 -23.222   0.303   1.572
  803   1HA   GLY 110          1HA       GLY 110 -23.729  -2.541   0.937
  804   2HA   GLY 110          2HA       GLY 110 -24.887  -1.240   0.676
  805    H    ILE 111           H        ILE 111 -25.138  -0.823  -1.396
  806    HA   ILE 111           HA       ILE 111 -22.856  -1.050  -3.230
  807    HB   ILE 111           HB       ILE 111 -25.649  -0.181  -3.977
  808   1HG1  ILE 111          2HG1      ILE 111 -24.981  -2.925  -4.675
  809   2HG1  ILE 111          1HG1      ILE 111 -24.999  -2.681  -2.931
  810   1HG2  ILE 111          1HG2      ILE 111 -24.947  -1.044  -6.204
  811   2HG2  ILE 111          2HG2      ILE 111 -23.983   0.317  -5.634
  812   3HG2  ILE 111          3HG2      ILE 111 -23.337  -1.321  -5.540
  813   1HD1  ILE 111          1HD1      ILE 111 -27.216  -2.433  -4.902
  814   2HD1  ILE 111          2HD1      ILE 111 -27.170  -3.280  -3.354
  815   3HD1  ILE 111          3HD1      ILE 111 -27.274  -1.520  -3.396
  816    H    ASP 112           H        ASP 112 -25.296   1.314  -3.789
  817    HA   ASP 112           HA       ASP 112 -23.477   3.428  -2.847
  818   1HB   ASP 112          2HB       ASP 112 -23.817   3.732  -5.216
  819   2HB   ASP 112          1HB       ASP 112 -25.561   3.564  -5.036
  820    H    ASP 113           H        ASP 113 -24.324   2.946  -0.763
  821    HA   ASP 113           HA       ASP 113 -27.067   3.924  -0.346
  822   1HB   ASP 113          2HB       ASP 113 -26.289   1.462   0.266
  823   2HB   ASP 113          1HB       ASP 113 -25.659   2.258   1.704
  824    H    GLU 114           H        GLU 114 -27.458   5.228   1.465
  825    HA   GLU 114           HA       GLU 114 -25.060   6.556   2.540
  826   1HB   GLU 114          2HB       GLU 114 -26.888   7.746   0.910
  827   2HB   GLU 114          1HB       GLU 114 -27.585   8.091   2.485
  828   1HG   GLU 114          2HG       GLU 114 -24.725   8.620   2.368
  829   2HG   GLU 114          1HG       GLU 114 -25.657   9.566   1.210
  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1 -14.498 -13.335  -8.548
    2   2H    GLY   1          2H        GLY   1 -12.842 -13.508  -8.227
    3   3H    GLY   1          3H        GLY   1 -13.358 -12.746  -9.653
    4   1HA   GLY   1          2HA       GLY   1 -13.265 -11.726  -6.918
    5   2HA   GLY   1          1HA       GLY   1 -12.861 -10.915  -8.426
    6    H    SER   2           H        SER   2 -15.291 -11.552  -6.094
    7    HA   SER   2           HA       SER   2 -17.576 -10.902  -7.593
    8   1HB   SER   2          2HB       SER   2 -17.971 -10.132  -4.884
    9   2HB   SER   2          1HB       SER   2 -18.515 -11.607  -5.688
   10    HG   SER   2           HG       SER   2 -16.943 -11.637  -3.748
   11    H    LEU   3           H        LEU   3 -15.283  -8.950  -5.827
   12    HA   LEU   3           HA       LEU   3 -16.654  -6.539  -6.828
   13   1HB   LEU   3          2HB       LEU   3 -15.075  -6.826  -4.266
   14   2HB   LEU   3          1HB       LEU   3 -15.775  -5.335  -4.864
   15    HG   LEU   3           HG       LEU   3 -17.891  -7.191  -4.742
   16   1HD1  LEU   3          1HD1      LEU   3 -17.806  -7.727  -2.291
   17   2HD1  LEU   3          2HD1      LEU   3 -16.688  -8.643  -3.302
   18   3HD1  LEU   3          3HD1      LEU   3 -16.096  -7.297  -2.330
   19   1HD2  LEU   3          1HD2      LEU   3 -17.780  -5.402  -2.485
   20   2HD2  LEU   3          2HD2      LEU   3 -17.307  -4.581  -3.972
   21   3HD2  LEU   3          3HD2      LEU   3 -18.868  -5.396  -3.873
   22    H    LEU   4           H        LEU   4 -13.699  -6.149  -5.157
   23    HA   LEU   4           HA       LEU   4 -12.283  -5.631  -7.686
   24   1HB   LEU   4          2HB       LEU   4 -11.276  -4.971  -4.933
   25   2HB   LEU   4          1HB       LEU   4 -10.787  -4.276  -6.470
   26    HG   LEU   4           HG       LEU   4 -13.570  -3.752  -6.076
   27   1HD1  LEU   4          1HD1      LEU   4 -13.101  -4.072  -3.693
   28   2HD1  LEU   4          2HD1      LEU   4 -11.803  -2.883  -3.793
   29   3HD1  LEU   4          3HD1      LEU   4 -13.474  -2.390  -4.067
   30   1HD2  LEU   4          1HD2      LEU   4 -12.930  -1.827  -7.003
   31   2HD2  LEU   4          2HD2      LEU   4 -11.745  -1.516  -5.733
   32   3HD2  LEU   4          3HD2      LEU   4 -11.317  -2.533  -7.111
   33    H    THR   5           H        THR   5  -9.899  -6.263  -7.618
   34    HA   THR   5           HA       THR   5  -9.456  -8.670  -6.001
   35    HB   THR   5           HB       THR   5  -8.095  -9.275  -8.309
   36    HG1  THR   5           1HG      THR   5 -10.700  -8.410  -9.101
   37   1HG2  THR   5          1HG2      THR   5  -9.176 -11.012  -7.238
   38   2HG2  THR   5          2HG2      THR   5 -10.184 -10.808  -8.671
   39   3HG2  THR   5          3HG2      THR   5 -10.700 -10.130  -7.126
   40    H    CYS   6           H        CYS   6  -7.536  -8.696  -5.069
   41    HA   CYS   6           HA       CYS   6  -5.812  -6.427  -5.497
   42   1HB   CYS   6          2HB       CYS   6  -5.686  -6.538  -3.274
   43   2HB   CYS   6          1HB       CYS   6  -6.681  -7.987  -3.293
   44    H    GLY   7           H        GLY   7  -3.541  -6.596  -5.765
   45   1HA   GLY   7          1HA       GLY   7  -2.810  -8.836  -7.459
   46   2HA   GLY   7          2HA       GLY   7  -1.864  -7.379  -7.187
   47    H    GLY   8           H        GLY   8  -2.744  -8.406  -4.208
   48   1HA   GLY   8          1HA       GLY   8  -0.109  -9.563  -3.745
   49   2HA   GLY   8          2HA       GLY   8  -1.263  -9.062  -2.517
   50    H    CYS   9           H        CYS   9  -3.502 -10.503  -3.524
   51    HA   CYS   9           HA       CYS   9  -2.591 -13.286  -3.204
   52   1HB   CYS   9          2HB       CYS   9  -4.496 -13.764  -1.791
   53   2HB   CYS   9          1HB       CYS   9  -3.582 -12.425  -1.106
   54    H    GLN  10           H        GLN  10  -4.744 -11.026  -4.679
   55    HA   GLN  10           HA       GLN  10  -6.126 -11.099  -6.459
   56   1HB   GLN  10          2HB       GLN  10  -4.175 -13.224  -6.971
   57   2HB   GLN  10          1HB       GLN  10  -5.701 -13.444  -7.817
   58   1HG   GLN  10          2HG       GLN  10  -3.998 -10.966  -7.930
   59   2HG   GLN  10          1HG       GLN  10  -4.035 -12.236  -9.151
   60   1HE2  GLN  10          1HE2      GLN  10  -4.662  -9.428  -9.439
   61   2HE2  GLN  10          2HE2      GLN  10  -6.305  -9.351 -10.001
   62    H    GLN  11           H        GLN  11  -6.858 -12.442  -3.874
   63    HA   GLN  11           HA       GLN  11  -8.544 -14.624  -4.687
   64   1HB   GLN  11          2HB       GLN  11  -8.965 -15.005  -2.427
   65   2HB   GLN  11          1HB       GLN  11  -7.332 -14.361  -2.435
   66   1HG   GLN  11          2HG       GLN  11  -7.926 -12.750  -1.046
   67   2HG   GLN  11          1HG       GLN  11  -9.169 -12.198  -2.167
   68   1HE2  GLN  11          1HE2      GLN  11 -10.687 -11.710  -0.638
   69   2HE2  GLN  11          2HE2      GLN  11 -11.450 -12.898   0.365
   70    H    ASN  12           H        ASN  12  -8.970 -11.258  -3.854
   71    HA   ASN  12           HA       ASN  12 -10.843 -10.113  -5.078
   72   1HB   ASN  12          2HB       ASN  12 -12.419 -11.890  -5.333
   73   2HB   ASN  12          1HB       ASN  12 -12.393 -12.256  -3.612
   74   1HD2  ASN  12          1HD2      ASN  12 -14.011 -11.501  -2.456
   75   2HD2  ASN  12          2HD2      ASN  12 -15.042 -10.176  -2.895
   76    H    ILE  13           H        ILE  13 -11.201  -8.216  -4.115
   77    HA   ILE  13           HA       ILE  13 -10.782  -8.038  -1.232
   78    HB   ILE  13           HB       ILE  13 -11.209  -5.749  -3.120
   79   1HG1  ILE  13          2HG1      ILE  13  -8.491  -6.613  -2.242
   80   2HG1  ILE  13          1HG1      ILE  13  -9.250  -7.445  -3.590
   81   1HG2  ILE  13          1HG2      ILE  13 -10.826  -4.423  -1.369
   82   2HG2  ILE  13          2HG2      ILE  13 -11.074  -5.858  -0.374
   83   3HG2  ILE  13          3HG2      ILE  13  -9.441  -5.384  -0.846
   84   1HD1  ILE  13          1HD1      ILE  13  -9.163  -5.619  -4.949
   85   2HD1  ILE  13          2HD1      ILE  13  -9.141  -4.480  -3.603
   86   3HD1  ILE  13          3HD1      ILE  13  -7.690  -5.405  -3.996
   87    H    GLY  14           H        GLY  14 -12.542  -8.472  -0.103
   88   1HA   GLY  14          1HA       GLY  14 -15.053  -7.115  -0.890
   89   2HA   GLY  14          2HA       GLY  14 -15.005  -8.694  -0.109
   90    H    ASP  15           H        ASP  15 -12.632  -6.612   1.015
   91    HA   ASP  15           HA       ASP  15 -13.693  -6.531   3.644
   92   1HB   ASP  15          2HB       ASP  15 -11.288  -5.357   2.301
   93   2HB   ASP  15          1HB       ASP  15 -11.759  -4.739   3.876
   94    H    ARG  16           H        ARG  16 -13.290  -4.128   4.693
   95    HA   ARG  16           HA       ARG  16 -15.404  -2.499   3.500
   96   1HB   ARG  16          2HB       ARG  16 -14.648  -1.146   5.749
   97   2HB   ARG  16          1HB       ARG  16 -15.921  -2.354   5.685
   98   1HG   ARG  16          2HG       ARG  16 -14.818  -3.396   7.302
   99   2HG   ARG  16          1HG       ARG  16 -13.647  -3.856   6.066
  100   1HD   ARG  16          2HD       ARG  16 -12.837  -1.328   6.714
  101   2HD   ARG  16          1HD       ARG  16 -13.415  -1.937   8.264
  102    HE   ARG  16           HE       ARG  16 -11.884  -3.963   7.482
  103   1HH1  ARG  16          2HH1      ARG  16 -11.268  -0.503   7.390
  104   2HH1  ARG  16          1HH1      ARG  16  -9.554  -0.679   7.633
  105   1HH2  ARG  16          2HH2      ARG  16  -9.621  -4.180   7.793
  106   2HH2  ARG  16          1HH2      ARG  16  -8.614  -2.757   7.836
  107    H    TYR  17           H        TYR  17 -11.985  -2.545   3.994
  108    HA   TYR  17           HA       TYR  17 -11.761  -0.018   2.521
  109   1HB   TYR  17          2HB       TYR  17 -11.132  -0.190   5.203
  110   2HB   TYR  17          1HB       TYR  17  -9.585  -0.519   4.439
  111    HD1  TYR  17           1HD      TYR  17 -12.425   1.894   4.184
  112    HD2  TYR  17           2HD      TYR  17  -8.222   1.280   3.957
  113    HE1  TYR  17           1HE      TYR  17 -12.094   4.309   3.861
  114    HE2  TYR  17           2HE      TYR  17  -7.884   3.692   3.630
  115    HH   TYR  17           HH       TYR  17 -10.147   5.748   2.680
  116    H    PHE  18           H        PHE  18  -9.847   0.097   1.202
  117    HA   PHE  18           HA       PHE  18  -8.117  -2.206   1.114
  118   1HB   PHE  18          2HB       PHE  18  -8.592  -2.957  -1.083
  119   2HB   PHE  18          1HB       PHE  18 -10.132  -2.870  -0.243
  120    HD1  PHE  18           1HD      PHE  18 -11.314  -0.445  -0.549
  121    HD2  PHE  18           2HD      PHE  18  -8.551  -2.253  -3.232
  122    HE1  PHE  18           1HE      PHE  18 -12.233   0.894  -2.388
  123    HE2  PHE  18           2HE      PHE  18  -9.460  -0.906  -5.075
  124    HZ   PHE  18           HZ       PHE  18 -11.306   0.669  -4.656
  125    H    LEU  19           H        LEU  19  -6.648  -1.979  -0.923
  126    HA   LEU  19           HA       LEU  19  -5.822   0.838  -1.108
  127   1HB   LEU  19          2HB       LEU  19  -4.262  -1.677  -0.602
  128   2HB   LEU  19          1HB       LEU  19  -3.490  -0.294  -1.340
  129    HG   LEU  19           HG       LEU  19  -4.923   0.022   1.271
  130   1HD1  LEU  19          1HD1      LEU  19  -2.039  -0.796   1.048
  131   2HD1  LEU  19          2HD1      LEU  19  -3.017  -0.626   2.505
  132   3HD1  LEU  19          3HD1      LEU  19  -3.340  -1.942   1.375
  133   1HD2  LEU  19          1HD2      LEU  19  -3.683   1.944   1.482
  134   2HD2  LEU  19          2HD2      LEU  19  -2.384   1.349   0.448
  135   3HD2  LEU  19          3HD2      LEU  19  -3.907   1.881  -0.266
  136    H    LYS  20           H        LYS  20  -4.497   1.299  -3.038
  137    HA   LYS  20           HA       LYS  20  -4.225  -0.684  -5.079
  138   1HB   LYS  20          2HB       LYS  20  -5.357   1.742  -6.252
  139   2HB   LYS  20          1HB       LYS  20  -5.668   0.071  -6.677
  140   1HG   LYS  20          2HG       LYS  20  -7.688   0.290  -5.807
  141   2HG   LYS  20          1HG       LYS  20  -6.950   0.547  -4.227
  142   1HD   LYS  20          2HD       LYS  20  -7.328   2.763  -4.277
  143   2HD   LYS  20          1HD       LYS  20  -6.898   2.892  -5.982
  144   1HE   LYS  20          2HE       LYS  20  -9.497   1.719  -5.030
  145   2HE   LYS  20          1HE       LYS  20  -9.294   3.434  -5.377
  146   1HZ   LYS  20          1HZ       LYS  20  -8.307   1.980  -7.561
  147   2HZ   LYS  20          2HZ       LYS  20  -9.660   3.005  -7.501
  148   3HZ   LYS  20          3HZ       LYS  20  -9.839   1.353  -7.168
  149    H    ALA  21           H        ALA  21  -2.901   0.347  -6.942
  150    HA   ALA  21           HA       ALA  21  -1.948   2.934  -6.862
  151   1HB   ALA  21          1HB       ALA  21  -0.790   2.862  -4.896
  152   2HB   ALA  21          2HB       ALA  21  -0.430   1.141  -5.044
  153   3HB   ALA  21          3HB       ALA  21   0.473   2.314  -6.000
  154    H    ILE  22           H        ILE  22   0.221   0.220  -6.874
  155    HA   ILE  22           HA       ILE  22   1.800   0.846  -8.889
  156    HB   ILE  22           HB       ILE  22   0.910  -1.998  -8.463
  157   1HG1  ILE  22          2HG1      ILE  22   2.799  -0.258  -6.864
  158   2HG1  ILE  22          1HG1      ILE  22   1.333  -1.051  -6.296
  159   1HG2  ILE  22          1HG2      ILE  22   2.493  -1.350 -10.374
  160   2HG2  ILE  22          2HG2      ILE  22   3.679  -1.046  -9.104
  161   3HG2  ILE  22          3HG2      ILE  22   2.982  -2.656  -9.293
  162   1HD1  ILE  22          1HD1      ILE  22   2.437  -2.899  -5.797
  163   2HD1  ILE  22          2HD1      ILE  22   3.196  -2.959  -7.388
  164   3HD1  ILE  22          3HD1      ILE  22   3.924  -1.999  -6.101
  165    H    ASP  23           H        ASP  23  -1.163  -1.041  -9.409
  166    HA   ASP  23           HA       ASP  23  -1.729  -0.045 -11.944
  167   1HB   ASP  23          2HB       ASP  23   0.325  -1.210 -12.672
  168   2HB   ASP  23          1HB       ASP  23  -0.302  -2.720 -12.016
  169    H    GLN  24           H        GLN  24  -2.049  -2.249  -9.436
  170    HA   GLN  24           HA       GLN  24  -4.709  -3.019 -10.381
  171   1HB   GLN  24          2HB       GLN  24  -4.413  -5.236  -9.353
  172   2HB   GLN  24          1HB       GLN  24  -3.252  -4.963 -10.644
  173   1HG   GLN  24          2HG       GLN  24  -2.203  -4.128  -8.091
  174   2HG   GLN  24          1HG       GLN  24  -2.716  -5.813  -8.062
  175   1HE2  GLN  24          1HE2      GLN  24  -0.222  -3.738  -8.823
  176   2HE2  GLN  24          2HE2      GLN  24   0.717  -4.799  -9.824
  177    H    TYR  25           H        TYR  25  -5.843  -4.098  -8.370
  178    HA   TYR  25           HA       TYR  25  -5.772  -2.107  -6.256
  179   1HB   TYR  25          2HB       TYR  25  -7.589  -4.512  -6.562
  180   2HB   TYR  25          1HB       TYR  25  -7.799  -3.171  -5.435
  181    HD1  TYR  25           1HD      TYR  25  -9.355  -4.442  -8.078
  182    HD2  TYR  25           2HD      TYR  25  -7.356  -0.821  -7.044
  183    HE1  TYR  25           1HE      TYR  25 -10.655  -3.238  -9.785
  184    HE2  TYR  25           2HE      TYR  25  -8.658   0.385  -8.742
  185    HH   TYR  25           HH       TYR  25 -10.143   0.248 -10.358
  186    H    TRP  26           H        TRP  26  -5.735  -2.838  -4.023
  187    HA   TRP  26           HA       TRP  26  -4.238  -5.320  -3.608
  188   1HB   TRP  26          2HB       TRP  26  -3.526  -2.588  -2.517
  189   2HB   TRP  26          1HB       TRP  26  -2.785  -4.092  -1.986
  190    HD1  TRP  26           HD       TRP  26  -2.691  -1.532  -4.756
  191    HE1  TRP  26           1HE      TRP  26  -0.712  -2.062  -6.317
  192    HE3  TRP  26           3HE      TRP  26  -1.438  -6.136  -2.942
  193    HZ2  TRP  26           2HZ      TRP  26   1.122  -4.171  -6.744
  194    HZ3  TRP  26           3HZ      TRP  26   0.428  -7.351  -3.981
  195    HH2  TRP  26           HH       TRP  26   1.687  -6.386  -5.841
  196    H    HIS  27           H        HIS  27  -3.897  -5.407  -1.073
  197    HA   HIS  27           HA       HIS  27  -6.535  -4.979   0.176
  198   1HB   HIS  27          2HB       HIS  27  -4.728  -7.320   0.142
  199   2HB   HIS  27          1HB       HIS  27  -5.408  -6.917   1.711
  200    HD2  HIS  27           2HD      HIS  27  -8.442  -6.435   1.166
  201    HE1  HIS  27           1HE      HIS  27  -8.308 -10.045  -1.047
  202    HE2  HIS  27           2HE      HIS  27  -9.773  -8.525   0.368
  203    H    GLU  28           H        GLU  28  -6.514  -4.398   2.386
  204    HA   GLU  28           HA       GLU  28  -4.421  -2.675   3.230
  205   1HB   GLU  28          2HB       GLU  28  -6.797  -3.915   4.619
  206   2HB   GLU  28          1HB       GLU  28  -5.738  -2.748   5.369
  207   1HG   GLU  28          2HG       GLU  28  -6.863  -1.972   2.767
  208   2HG   GLU  28          1HG       GLU  28  -8.011  -2.111   4.095
  209    H    ASP  29           H        ASP  29  -5.130  -5.991   3.525
  210    HA   ASP  29           HA       ASP  29  -3.055  -6.450   5.570
  211   1HB   ASP  29          2HB       ASP  29  -5.366  -7.138   6.143
  212   2HB   ASP  29          1HB       ASP  29  -5.410  -8.170   4.722
  213    H    CYS  30           H        CYS  30  -2.943  -6.217   2.475
  214    HA   CYS  30           HA       CYS  30  -1.498  -8.749   2.033
  215   1HB   CYS  30          2HB       CYS  30  -3.474  -7.340   0.367
  216   2HB   CYS  30          1HB       CYS  30  -2.074  -7.979  -0.474
  217    H    LEU  31           H        LEU  31  -1.584  -5.290   1.424
  218    HA   LEU  31           HA       LEU  31   0.978  -5.418   0.082
  219   1HB   LEU  31          2HB       LEU  31  -0.858  -3.854  -0.642
  220   2HB   LEU  31          1HB       LEU  31  -0.523  -2.915   0.805
  221    HG   LEU  31           HG       LEU  31   1.886  -3.463  -0.738
  222   1HD1  LEU  31          1HD1      LEU  31   0.965  -3.225  -2.770
  223   2HD1  LEU  31          2HD1      LEU  31  -0.489  -2.451  -2.140
  224   3HD1  LEU  31          3HD1      LEU  31   0.988  -1.511  -2.354
  225   1HD2  LEU  31          1HD2      LEU  31   1.228  -0.702  -0.520
  226   2HD2  LEU  31          2HD2      LEU  31   0.844  -1.505   1.003
  227   3HD2  LEU  31          3HD2      LEU  31   2.471  -1.618   0.331
  228    H    SER  32           H        SER  32   2.823  -5.392   1.079
  229    HA   SER  32           HA       SER  32   3.647  -3.413   2.811
  230   1HB   SER  32          2HB       SER  32   2.577  -5.803   4.198
  231   2HB   SER  32          1HB       SER  32   4.125  -5.190   4.787
  232    HG   SER  32           HG       SER  32   1.794  -3.609   4.406
  233    H    CYS  33           H        CYS  33   5.666  -4.754   4.249
  234    HA   CYS  33           HA       CYS  33   7.748  -4.732   2.561
  235   1HB   CYS  33          2HB       CYS  33   7.224  -6.057   5.179
  236   2HB   CYS  33          1HB       CYS  33   8.730  -6.405   4.357
  237    H    ASP  34           H        ASP  34   8.312  -5.896   0.846
  238    HA   ASP  34           HA       ASP  34   7.541  -8.732   0.709
  239   1HB   ASP  34          2HB       ASP  34   7.283  -6.941  -1.249
  240   2HB   ASP  34          1HB       ASP  34   8.960  -7.383  -1.547
  241    H    LEU  35           H        LEU  35  10.218  -6.505   0.713
  242    HA   LEU  35           HA       LEU  35  12.297  -8.400   0.367
  243   1HB   LEU  35          2HB       LEU  35  12.763  -6.111  -0.082
  244   2HB   LEU  35          1HB       LEU  35  12.217  -5.609   1.508
  245    HG   LEU  35           HG       LEU  35  14.245  -7.230   2.224
  246   1HD1  LEU  35          1HD1      LEU  35  14.704  -7.595  -0.254
  247   2HD1  LEU  35          2HD1      LEU  35  15.290  -5.931  -0.273
  248   3HD1  LEU  35          3HD1      LEU  35  16.072  -7.130   0.759
  249   1HD2  LEU  35          1HD2      LEU  35  14.588  -4.361   1.368
  250   2HD2  LEU  35          2HD2      LEU  35  13.836  -4.878   2.877
  251   3HD2  LEU  35          3HD2      LEU  35  15.537  -5.230   2.575
  252    H    CYS  36           H        CYS  36  11.108  -6.731   3.287
  253    HA   CYS  36           HA       CYS  36  12.572  -8.519   5.005
  254   1HB   CYS  36          2HB       CYS  36  10.471  -6.608   5.962
  255   2HB   CYS  36          1HB       CYS  36  11.943  -7.131   6.775
  256    H    GLY  37           H        GLY  37   9.160  -7.810   4.370
  257   1HA   GLY  37          1HA       GLY  37   7.520  -9.566   4.207
  258   2HA   GLY  37          2HA       GLY  37   8.509 -10.526   5.304
  259    H    CYS  38           H        CYS  38   8.440  -7.347   6.325
  260    HA   CYS  38           HA       CYS  38   6.599  -8.010   8.465
  261   1HB   CYS  38          2HB       CYS  38   8.196  -5.469   8.156
  262   2HB   CYS  38          1HB       CYS  38   7.536  -6.162   9.633
  263    HG   CYS  38           HG       CYS  38  10.324  -6.386   9.703
  264    H    ARG  39           H        ARG  39   6.754  -4.687   7.934
  265    HA   ARG  39           HA       ARG  39   4.601  -4.471   6.071
  266   1HB   ARG  39          2HB       ARG  39   3.428  -3.071   8.151
  267   2HB   ARG  39          1HB       ARG  39   2.899  -4.611   7.500
  268   1HG   ARG  39          2HG       ARG  39   4.497  -5.665   9.205
  269   2HG   ARG  39          1HG       ARG  39   4.503  -4.071   9.965
  270   1HD   ARG  39          2HD       ARG  39   2.703  -4.826  11.071
  271   2HD   ARG  39          1HD       ARG  39   1.844  -4.463   9.576
  272    HE   ARG  39           HE       ARG  39   1.979  -6.799   8.995
  273   1HH1  ARG  39          2HH1      ARG  39   2.865  -5.982  12.291
  274   2HH1  ARG  39          1HH1      ARG  39   2.599  -7.591  12.901
  275   1HH2  ARG  39          2HH2      ARG  39   1.600  -8.912   9.810
  276   2HH2  ARG  39          1HH2      ARG  39   1.877  -9.252  11.490
  277    H    LEU  40           H        LEU  40   4.124  -2.309   5.475
  278    HA   LEU  40           HA       LEU  40   6.169  -0.370   6.343
  279   1HB   LEU  40          2HB       LEU  40   5.000   0.453   3.892
  280   2HB   LEU  40          1HB       LEU  40   6.663   0.007   4.212
  281    HG   LEU  40           HG       LEU  40   5.026  -2.342   3.923
  282   1HD1  LEU  40          1HD1      LEU  40   3.674  -1.750   2.261
  283   2HD1  LEU  40          2HD1      LEU  40   4.399  -0.145   2.172
  284   3HD1  LEU  40          3HD1      LEU  40   5.107  -1.484   1.266
  285   1HD2  LEU  40          1HD2      LEU  40   6.855  -3.085   2.810
  286   2HD2  LEU  40          2HD2      LEU  40   7.096  -1.557   1.960
  287   3HD2  LEU  40          3HD2      LEU  40   7.597  -1.718   3.645
  288    H    GLY  41           H        GLY  41   3.633  -0.830   7.629
  289   1HA   GLY  41          1HA       GLY  41   2.640   1.390   8.524
  290   2HA   GLY  41          2HA       GLY  41   2.055   1.526   6.866
  291    H    GLU  42           H        GLU  42   0.932  -0.539   6.081
  292    HA   GLU  42           HA       GLU  42  -1.115  -1.228   8.034
  293   1HB   GLU  42          2HB       GLU  42  -0.809  -1.606   5.069
  294   2HB   GLU  42          1HB       GLU  42  -1.990  -2.554   5.958
  295   1HG   GLU  42          2HG       GLU  42  -2.012   0.283   5.208
  296   2HG   GLU  42          1HG       GLU  42  -3.343  -0.854   5.401
  297    H    VAL  43           H        VAL  43  -0.905  -3.724   5.897
  298    HA   VAL  43           HA       VAL  43   1.166  -5.279   7.134
  299    HB   VAL  43           HB       VAL  43  -0.342  -5.724   8.881
  300   1HG1  VAL  43          1HG1      VAL  43  -2.342  -4.733   8.269
  301   2HG1  VAL  43          2HG1      VAL  43  -2.468  -5.670   6.781
  302   3HG1  VAL  43          3HG1      VAL  43  -2.754  -6.448   8.338
  303   1HG2  VAL  43          1HG2      VAL  43   0.541  -7.794   7.961
  304   2HG2  VAL  43          2HG2      VAL  43  -1.080  -8.037   8.614
  305   3HG2  VAL  43          3HG2      VAL  43  -0.840  -7.913   6.870
  306    H    GLY  44           H        GLY  44   1.633  -7.165   5.844
  307   1HA   GLY  44          1HA       GLY  44   0.151  -8.308   3.859
  308   2HA   GLY  44          2HA       GLY  44   0.706  -6.805   3.143
  309    H    ARG  45           H        ARG  45   1.619  -8.415   1.624
  310    HA   ARG  45           HA       ARG  45   4.277  -9.290   2.530
  311   1HB   ARG  45          2HB       ARG  45   4.035 -11.378   1.357
  312   2HB   ARG  45          1HB       ARG  45   2.673 -11.181   2.448
  313   1HG   ARG  45          2HG       ARG  45   2.292 -10.243  -0.329
  314   2HG   ARG  45          1HG       ARG  45   2.419 -11.985  -0.083
  315   1HD   ARG  45          2HD       ARG  45   0.418 -10.078   1.109
  316   2HD   ARG  45          1HD       ARG  45   0.114 -11.435   0.026
  317    HE   ARG  45           HE       ARG  45   1.289 -12.526   2.270
  318   1HH1  ARG  45          2HH1      ARG  45  -1.629 -10.682   1.558
  319   2HH1  ARG  45          1HH1      ARG  45  -2.501 -11.322   2.915
  320   1HH2  ARG  45          2HH2      ARG  45   0.102 -13.387   4.021
  321   2HH2  ARG  45          1HH2      ARG  45  -1.527 -12.856   4.301
  322    H    ARG  46           H        ARG  46   2.372  -7.852  -0.018
  323    HA   ARG  46           HA       ARG  46   4.853  -7.518  -1.591
  324   1HB   ARG  46          2HB       ARG  46   2.323  -7.284  -3.092
  325   2HB   ARG  46          1HB       ARG  46   3.851  -7.998  -3.576
  326   1HG   ARG  46          2HG       ARG  46   2.854  -9.737  -1.655
  327   2HG   ARG  46          1HG       ARG  46   1.446  -9.259  -2.608
  328   1HD   ARG  46          2HD       ARG  46   3.770  -9.818  -4.256
  329   2HD   ARG  46          1HD       ARG  46   3.297 -11.203  -3.272
  330    HE   ARG  46           HE       ARG  46   1.292  -9.819  -4.919
  331   1HH1  ARG  46          2HH1      ARG  46   3.185 -12.669  -4.208
  332   2HH1  ARG  46          1HH1      ARG  46   2.226 -13.715  -5.214
  333   1HH2  ARG  46          2HH2      ARG  46   0.024 -11.175  -6.241
  334   2HH2  ARG  46          1HH2      ARG  46   0.420 -12.865  -6.376
  335    H    LEU  47           H        LEU  47   5.061  -5.431  -2.659
  336    HA   LEU  47           HA       LEU  47   3.097  -3.411  -2.073
  337   1HB   LEU  47          2HB       LEU  47   4.510  -1.971  -0.776
  338   2HB   LEU  47          1HB       LEU  47   4.321  -3.505   0.027
  339    HG   LEU  47           HG       LEU  47   6.504  -3.478   0.386
  340   1HD1  LEU  47          1HD1      LEU  47   8.099  -3.964  -1.403
  341   2HD1  LEU  47          2HD1      LEU  47   6.680  -5.008  -1.468
  342   3HD1  LEU  47          3HD1      LEU  47   6.839  -3.665  -2.604
  343   1HD2  LEU  47          1HD2      LEU  47   6.902  -1.258   0.365
  344   2HD2  LEU  47          2HD2      LEU  47   7.919  -1.712  -1.008
  345   3HD2  LEU  47          3HD2      LEU  47   6.305  -1.051  -1.285
  346    H    TYR  48           H        TYR  48   4.848  -1.178  -2.470
  347    HA   TYR  48           HA       TYR  48   4.965  -1.157  -5.323
  348   1HB   TYR  48          2HB       TYR  48   4.896   1.047  -4.851
  349   2HB   TYR  48          1HB       TYR  48   5.257   0.735  -3.157
  350    HD1  TYR  48           1HD      TYR  48   6.438   2.187  -6.169
  351    HD2  TYR  48           2HD      TYR  48   7.765   0.353  -2.569
  352    HE1  TYR  48           1HE      TYR  48   8.644   3.191  -6.483
  353    HE2  TYR  48           2HE      TYR  48   9.987   1.379  -2.868
  354    HH   TYR  48           HH       TYR  48  10.691   3.354  -5.759
  355    H    TYR  49           H        TYR  49   6.824  -1.297  -6.644
  356    HA   TYR  49           HA       TYR  49   9.165  -2.348  -5.226
  357   1HB   TYR  49          2HB       TYR  49   9.254  -4.251  -6.674
  358   2HB   TYR  49          1HB       TYR  49   7.656  -4.151  -5.936
  359    HD1  TYR  49           1HD      TYR  49   9.295  -4.954  -8.848
  360    HD2  TYR  49           2HD      TYR  49   5.961  -2.661  -7.519
  361    HE1  TYR  49           1HE      TYR  49   8.262  -5.173 -11.069
  362    HE2  TYR  49           2HE      TYR  49   4.928  -2.867  -9.741
  363    HH   TYR  49           HH       TYR  49   6.648  -4.127 -12.464
  364    H    LYS  50           H        LYS  50  11.036  -2.748  -6.612
  365    HA   LYS  50           HA       LYS  50  11.642  -0.368  -8.131
  366   1HB   LYS  50          2HB       LYS  50  13.117  -2.275  -6.644
  367   2HB   LYS  50          1HB       LYS  50  13.684  -2.393  -8.301
  368   1HG   LYS  50          2HG       LYS  50  13.553   0.338  -7.797
  369   2HG   LYS  50          1HG       LYS  50  14.211  -0.371  -6.319
  370   1HD   LYS  50          2HD       LYS  50  15.773  -1.680  -7.886
  371   2HD   LYS  50          1HD       LYS  50  15.287  -0.517  -9.121
  372   1HE   LYS  50          2HE       LYS  50  16.205   1.295  -7.910
  373   2HE   LYS  50          1HE       LYS  50  16.382   0.325  -6.446
  374   1HZ   LYS  50          1HZ       LYS  50  18.504   0.645  -7.588
  375   2HZ   LYS  50          2HZ       LYS  50  17.885  -0.101  -8.981
  376   3HZ   LYS  50          3HZ       LYS  50  18.067  -0.994  -7.546
  377    H    LEU  51           H        LEU  51  12.875  -0.745 -10.248
  378    HA   LEU  51           HA       LEU  51  11.090  -1.571 -12.139
  379   1HB   LEU  51          2HB       LEU  51  13.247  -1.754 -13.652
  380   2HB   LEU  51          1HB       LEU  51  12.608  -0.222 -13.112
  381    HG   LEU  51           HG       LEU  51  15.140  -0.579 -13.042
  382   1HD1  LEU  51          1HD1      LEU  51  13.373   0.749 -11.170
  383   2HD1  LEU  51          2HD1      LEU  51  14.966   0.415 -10.493
  384   3HD1  LEU  51          3HD1      LEU  51  14.819   1.339 -11.989
  385   1HD2  LEU  51          1HD2      LEU  51  15.617  -2.560 -12.026
  386   2HD2  LEU  51          2HD2      LEU  51  15.746  -1.471 -10.644
  387   3HD2  LEU  51          3HD2      LEU  51  14.282  -2.431 -10.879
  388    H    GLY  52           H        GLY  52  13.197  -3.656 -10.373
  389   1HA   GLY  52          1HA       GLY  52  12.696  -5.776 -12.358
  390   2HA   GLY  52          2HA       GLY  52  14.118  -5.699 -11.335
  391    H    ARG  53           H        ARG  53  12.683  -5.107  -8.856
  392    HA   ARG  53           HA       ARG  53  11.023  -7.483  -8.520
  393   1HB   ARG  53          2HB       ARG  53  12.399  -8.602  -6.987
  394   2HB   ARG  53          1HB       ARG  53  13.482  -8.117  -8.283
  395   1HG   ARG  53          2HG       ARG  53  14.676  -6.757  -6.952
  396   2HG   ARG  53          1HG       ARG  53  13.259  -6.211  -6.056
  397   1HD   ARG  53          2HD       ARG  53  13.483  -7.801  -4.477
  398   2HD   ARG  53          1HD       ARG  53  13.984  -9.027  -5.641
  399    HE   ARG  53           HE       ARG  53  16.127  -7.386  -5.531
  400   1HH1  ARG  53          2HH1      ARG  53  14.236  -8.964  -3.014
  401   2HH1  ARG  53          1HH1      ARG  53  15.606  -9.192  -1.967
  402   1HH2  ARG  53          2HH2      ARG  53  17.905  -7.672  -4.125
  403   2HH2  ARG  53          1HH2      ARG  53  17.673  -8.437  -2.580
  404    H    LYS  54           H        LYS  54  10.049  -7.687  -6.432
  405    HA   LYS  54           HA       LYS  54   9.152  -5.146  -5.466
  406   1HB   LYS  54          2HB       LYS  54   8.495  -7.972  -4.661
  407   2HB   LYS  54          1HB       LYS  54   7.762  -6.561  -3.908
  408   1HG   LYS  54          2HG       LYS  54   7.489  -6.226  -6.690
  409   2HG   LYS  54          1HG       LYS  54   7.043  -7.895  -6.330
  410   1HD   LYS  54          2HD       LYS  54   5.555  -7.015  -4.521
  411   2HD   LYS  54          1HD       LYS  54   5.897  -5.388  -5.108
  412   1HE   LYS  54          2HE       LYS  54   3.761  -6.383  -5.955
  413   2HE   LYS  54          1HE       LYS  54   4.880  -5.851  -7.213
  414   1HZ   LYS  54          1HZ       LYS  54   3.721  -8.207  -7.284
  415   2HZ   LYS  54          2HZ       LYS  54   5.061  -8.633  -6.333
  416   3HZ   LYS  54          3HZ       LYS  54   5.294  -7.966  -7.875
  417    H    LEU  55           H        LEU  55  10.000  -3.999  -3.917
  418    HA   LEU  55           HA       LEU  55  10.912  -5.167  -1.487
  419   1HB   LEU  55          2HB       LEU  55  13.102  -5.272  -1.834
  420   2HB   LEU  55          1HB       LEU  55  12.822  -4.885  -3.518
  421    HG   LEU  55           HG       LEU  55  12.962  -2.565  -1.704
  422   1HD1  LEU  55          1HD1      LEU  55  15.638  -3.310  -2.354
  423   2HD1  LEU  55          2HD1      LEU  55  14.928  -2.993  -0.772
  424   3HD1  LEU  55          3HD1      LEU  55  14.878  -4.620  -1.450
  425   1HD2  LEU  55          1HD2      LEU  55  13.825  -1.516  -3.553
  426   2HD2  LEU  55          2HD2      LEU  55  14.600  -2.982  -4.158
  427   3HD2  LEU  55          3HD2      LEU  55  12.857  -2.773  -4.325
  428    H    CYS  56           H        CYS  56  11.093  -3.661   0.152
  429    HA   CYS  56           HA       CYS  56   9.212  -1.644  -0.040
  430   1HB   CYS  56          2HB       CYS  56  10.948  -1.329   2.232
  431   2HB   CYS  56          1HB       CYS  56   9.293  -1.951   2.166
  432    H    ARG  57           H        ARG  57   9.286   0.561   0.034
  433    HA   ARG  57           HA       ARG  57  11.374   1.871  -1.336
  434   1HB   ARG  57          2HB       ARG  57   9.072   2.673  -1.430
  435   2HB   ARG  57          1HB       ARG  57   9.095   3.005   0.295
  436   1HG   ARG  57          2HG       ARG  57   9.344   5.067  -0.856
  437   2HG   ARG  57          1HG       ARG  57  10.895   4.674  -0.114
  438   1HD   ARG  57          2HD       ARG  57  11.388   3.584  -2.446
  439   2HD   ARG  57          1HD       ARG  57  10.108   4.664  -2.999
  440    HE   ARG  57           HE       ARG  57  11.843   6.214  -1.510
  441   1HH1  ARG  57          2HH1      ARG  57  11.911   4.295  -4.423
  442   2HH1  ARG  57          1HH1      ARG  57  13.165   5.236  -5.170
  443   1HH2  ARG  57          2HH2      ARG  57  13.461   7.501  -2.498
  444   2HH2  ARG  57          1HH2      ARG  57  14.057   7.067  -4.076
  445    H    ARG  58           H        ARG  58  10.331   2.155   2.055
  446    HA   ARG  58           HA       ARG  58  12.489   3.800   2.744
  447   1HB   ARG  58          2HB       ARG  58  10.361   2.352   4.243
  448   2HB   ARG  58          1HB       ARG  58  11.708   3.059   5.136
  449   1HG   ARG  58          2HG       ARG  58  10.376   4.874   5.139
  450   2HG   ARG  58          1HG       ARG  58  11.104   5.098   3.547
  451   1HD   ARG  58          2HD       ARG  58   9.168   3.705   2.666
  452   2HD   ARG  58          1HD       ARG  58   8.398   4.036   4.219
  453    HE   ARG  58           HE       ARG  58   9.384   6.399   2.917
  454   1HH1  ARG  58          2HH1      ARG  58   6.675   4.167   3.056
  455   2HH1  ARG  58          1HH1      ARG  58   5.520   5.355   2.526
  456   1HH2  ARG  58          2HH2      ARG  58   7.856   7.952   2.248
  457   2HH2  ARG  58          1HH2      ARG  58   6.183   7.494   2.082
  458    H    ASP  59           H        ASP  59  12.072   0.319   2.824
  459    HA   ASP  59           HA       ASP  59  14.361  -0.109   4.492
  460   1HB   ASP  59          2HB       ASP  59  12.580  -1.919   2.883
  461   2HB   ASP  59          1HB       ASP  59  14.045  -2.533   3.648
  462    H    TYR  60           H        TYR  60  13.729  -0.202   1.030
  463    HA   TYR  60           HA       TYR  60  16.362  -0.976   0.267
  464   1HB   TYR  60          2HB       TYR  60  15.349  -1.129  -1.694
  465   2HB   TYR  60          1HB       TYR  60  13.910  -0.413  -0.991
  466    HD1  TYR  60           1HD      TYR  60  16.568  -0.005  -3.333
  467    HD2  TYR  60           2HD      TYR  60  13.666   2.093  -1.070
  468    HE1  TYR  60           1HE      TYR  60  16.700   1.881  -4.918
  469    HE2  TYR  60           2HE      TYR  60  13.779   3.974  -2.628
  470    HH   TYR  60           HH       TYR  60  15.587   4.887  -4.273
  471    H    LEU  61           H        LEU  61  14.853   2.002   1.192
  472    HA   LEU  61           HA       LEU  61  17.059   3.655   0.341
  473   1HB   LEU  61          2HB       LEU  61  14.414   4.101   1.148
  474   2HB   LEU  61          1HB       LEU  61  15.407   4.857   2.379
  475    HG   LEU  61           HG       LEU  61  16.271   6.428   0.920
  476   1HD1  LEU  61          1HD1      LEU  61  17.058   5.916  -1.097
  477   2HD1  LEU  61          2HD1      LEU  61  16.423   4.285  -0.874
  478   3HD1  LEU  61          3HD1      LEU  61  15.439   5.508  -1.676
  479   1HD2  LEU  61          1HD2      LEU  61  14.283   7.021  -0.671
  480   2HD2  LEU  61          2HD2      LEU  61  13.458   5.741   0.220
  481   3HD2  LEU  61          3HD2      LEU  61  14.093   7.143   1.079
  482    H    ARG  62           H        ARG  62  16.796   1.422   2.743
  483    HA   ARG  62           HA       ARG  62  18.520   2.951   4.566
  484   1HB   ARG  62          2HB       ARG  62  16.474   0.953   4.961
  485   2HB   ARG  62          1HB       ARG  62  17.984   0.468   5.720
  486   1HG   ARG  62          2HG       ARG  62  16.886   1.652   7.387
  487   2HG   ARG  62          1HG       ARG  62  18.009   2.838   6.712
  488   1HD   ARG  62          2HD       ARG  62  15.313   2.642   5.507
  489   2HD   ARG  62          1HD       ARG  62  15.438   3.384   7.102
  490    HE   ARG  62           HE       ARG  62  17.360   4.515   5.380
  491   1HH1  ARG  62          2HH1      ARG  62  13.912   4.473   5.986
  492   2HH1  ARG  62          1HH1      ARG  62  13.625   6.014   5.222
  493   1HH2  ARG  62          2HH2      ARG  62  16.999   6.534   4.370
  494   2HH2  ARG  62          1HH2      ARG  62  15.388   7.178   4.283
  495    H    LEU  63           H        LEU  63  18.269  -0.200   2.947
  496    HA   LEU  63           HA       LEU  63  21.008  -0.855   3.600
  497   1HB   LEU  63          2HB       LEU  63  20.538  -2.848   2.074
  498   2HB   LEU  63          1HB       LEU  63  19.676  -2.750   3.596
  499    HG   LEU  63           HG       LEU  63  18.024  -1.472   1.727
  500   1HD1  LEU  63          1HD1      LEU  63  19.738  -3.196   0.345
  501   2HD1  LEU  63          2HD1      LEU  63  18.210  -4.061   0.502
  502   3HD1  LEU  63          3HD1      LEU  63  18.246  -2.465  -0.246
  503   1HD2  LEU  63          1HD2      LEU  63  16.854  -3.844   2.055
  504   2HD2  LEU  63          2HD2      LEU  63  18.053  -3.938   3.347
  505   3HD2  LEU  63          3HD2      LEU  63  16.892  -2.610   3.317
  506    H    GLY  64           H        GLY  64  19.173   0.255   0.843
  507   1HA   GLY  64          1HA       GLY  64  21.607   0.342  -0.806
  508   2HA   GLY  64          2HA       GLY  64  19.964   0.654  -1.368
  509    H    GLY  65           H        GLY  65  19.572   2.209   1.180
  510   1HA   GLY  65          1HA       GLY  65  20.583   4.765   0.213
  511   2HA   GLY  65          2HA       GLY  65  19.399   4.523   1.486
  512    H    SER  66           H        SER  66  22.515   3.004   1.079
  513    HA   SER  66           HA       SER  66  23.215   3.090   3.768
  514   1HB   SER  66          2HB       SER  66  25.527   2.857   2.070
  515   2HB   SER  66          1HB       SER  66  24.713   1.611   3.023
  516    HG   SER  66           HG       SER  66  24.801   1.553   0.521
  517    H    GLY  67           H        GLY  67  23.412   5.615   1.517
  518   1HA   GLY  67          1HA       GLY  67  25.820   6.831   2.472
  519   2HA   GLY  67          2HA       GLY  67  24.617   7.575   1.430
  520    H    GLY  68           H        GLY  68  22.502   6.915   3.487
  521   1HA   GLY  68          1HA       GLY  68  21.720   7.747   5.526
  522   2HA   GLY  68          2HA       GLY  68  23.249   8.584   5.746
  523    H    HIS  69           H        HIS  69  22.793   9.552   2.859
  524    HA   HIS  69           HA       HIS  69  21.338  11.958   3.602
  525   1HB   HIS  69          2HB       HIS  69  23.579  11.492   2.050
  526   2HB   HIS  69          1HB       HIS  69  22.339  11.792   0.853
  527    HD2  HIS  69           2HD      HIS  69  21.162  14.370   0.981
  528    HE1  HIS  69           1HE      HIS  69  24.231  15.922   3.442
  529    HE2  HIS  69           2HE      HIS  69  22.390  16.507   1.805
  530    H    MET  70           H        MET  70  20.871  12.001   0.439
  531    HA   MET  70           HA       MET  70  18.126  11.261   0.539
  532   1HB   MET  70          2HB       MET  70  20.013  11.963  -1.699
  533   2HB   MET  70          1HB       MET  70  18.371  11.426  -2.028
  534   1HG   MET  70          2HG       MET  70  18.234  13.448  -0.059
  535   2HG   MET  70          1HG       MET  70  19.302  14.014  -1.341
  536   1HE   MET  70          1HE       MET  70  16.513  14.586   0.026
  537   2HE   MET  70          2HE       MET  70  16.130  15.725  -1.265
  538   3HE   MET  70          3HE       MET  70  15.079  14.340  -0.973
  539    H    GLY  71           H        GLY  71  21.078   9.667  -0.307
  540   1HA   GLY  71          1HA       GLY  71  20.041   7.099   0.040
  541   2HA   GLY  71          2HA       GLY  71  20.087   7.429  -1.688
  542    H    SER  72           H        SER  72  22.203   8.557  -2.342
  543    HA   SER  72           HA       SER  72  24.389   8.135  -2.885
  544   1HB   SER  72          2HB       SER  72  25.260   8.406  -0.108
  545   2HB   SER  72          1HB       SER  72  25.537   9.470  -1.487
  546    HG   SER  72           HG       SER  72  24.095  10.731  -0.640
  547    H    GLY  73           H        GLY  73  23.570   5.646  -2.997
  548   1HA   GLY  73          1HA       GLY  73  25.794   4.104  -2.435
  549   2HA   GLY  73          2HA       GLY  73  24.713   3.891  -1.067
  550    H    GLY  74           H        GLY  74  24.733   1.637  -1.766
  551   1HA   GLY  74          1HA       GLY  74  23.321  -0.053  -2.491
  552   2HA   GLY  74          2HA       GLY  74  22.406   1.139  -3.403
  553    H    ASP  75           H        ASP  75  24.918  -1.201  -3.474
  554    HA   ASP  75           HA       ASP  75  25.539  -0.589  -6.278
  555   1HB   ASP  75          2HB       ASP  75  27.493  -1.021  -4.899
  556   2HB   ASP  75          1HB       ASP  75  26.795  -2.527  -4.316
  557    H    VAL  76           H        VAL  76  23.904  -1.330  -7.497
  558    HA   VAL  76           HA       VAL  76  23.100  -4.141  -7.151
  559    HB   VAL  76           HB       VAL  76  20.875  -2.802  -8.171
  560   1HG1  VAL  76          1HG1      VAL  76  20.549  -3.248  -5.377
  561   2HG1  VAL  76          2HG1      VAL  76  19.962  -4.218  -6.728
  562   3HG1  VAL  76          3HG1      VAL  76  21.557  -4.532  -6.045
  563   1HG2  VAL  76          1HG2      VAL  76  22.357  -1.059  -6.358
  564   2HG2  VAL  76          2HG2      VAL  76  21.044  -0.685  -7.474
  565   3HG2  VAL  76          3HG2      VAL  76  20.683  -1.335  -5.874
  566    H    MET  77           H        MET  77  21.995  -5.005  -9.105
  567    HA   MET  77           HA       MET  77  23.539  -4.574 -11.397
  568   1HB   MET  77          2HB       MET  77  20.874  -5.946 -11.076
  569   2HB   MET  77          1HB       MET  77  21.851  -6.009 -12.538
  570   1HG   MET  77          2HG       MET  77  23.708  -6.891 -11.036
  571   2HG   MET  77          1HG       MET  77  22.445  -7.152  -9.845
  572   1HE   MET  77          1HE       MET  77  22.447  -9.171  -9.379
  573   2HE   MET  77          2HE       MET  77  21.261 -10.204 -10.177
  574   3HE   MET  77          3HE       MET  77  22.983 -10.502 -10.404
  575    H    VAL  78           H        VAL  78  23.025  -3.672 -13.408
  576    HA   VAL  78           HA       VAL  78  21.377  -1.303 -13.243
  577    HB   VAL  78           HB       VAL  78  22.651  -2.284 -15.782
  578   1HG1  VAL  78          1HG1      VAL  78  21.742  -0.346 -16.429
  579   2HG1  VAL  78          2HG1      VAL  78  21.483   0.189 -14.768
  580   3HG1  VAL  78          3HG1      VAL  78  23.055   0.422 -15.534
  581   1HG2  VAL  78          1HG2      VAL  78  24.629  -2.375 -14.733
  582   2HG2  VAL  78          2HG2      VAL  78  24.537  -0.613 -14.723
  583   3HG2  VAL  78          3HG2      VAL  78  24.022  -1.532 -13.309
  584    H    VAL  79           H        VAL  79  19.241  -1.704 -13.290
  585    HA   VAL  79           HA       VAL  79  18.239  -3.533 -15.379
  586    HB   VAL  79           HB       VAL  79  16.616  -2.616 -13.022
  587   1HG1  VAL  79          1HG1      VAL  79  15.601  -4.943 -13.498
  588   2HG1  VAL  79          2HG1      VAL  79  15.220  -3.606 -14.585
  589   3HG1  VAL  79          3HG1      VAL  79  16.426  -4.804 -15.051
  590   1HG2  VAL  79          1HG2      VAL  79  18.663  -4.793 -13.134
  591   2HG2  VAL  79          2HG2      VAL  79  18.361  -3.604 -11.867
  592   3HG2  VAL  79          3HG2      VAL  79  17.244  -4.948 -12.096
  593    H    GLY  80           H        GLY  80  17.828  -0.372 -13.881
  594   1HA   GLY  80          1HA       GLY  80  17.242   1.045 -16.142
  595   2HA   GLY  80          2HA       GLY  80  15.679   0.420 -15.627
  596    H    GLU  81           H        GLU  81  18.433   1.503 -13.724
  597    HA   GLU  81           HA       GLU  81  16.909   2.786 -11.786
  598   1HB   GLU  81          2HB       GLU  81  19.812   2.832 -12.541
  599   2HB   GLU  81          1HB       GLU  81  19.215   3.897 -11.276
  600   1HG   GLU  81          2HG       GLU  81  20.201   1.742 -10.492
  601   2HG   GLU  81          1HG       GLU  81  18.575   2.082  -9.915
  602    HA   PRO  82           HA       PRO  82  16.154   6.556 -14.132
  603   1HB   PRO  82          2HB       PRO  82  14.211   7.206 -12.086
  604   2HB   PRO  82          1HB       PRO  82  13.934   6.760 -13.770
  605   1HG   PRO  82          2HG       PRO  82  13.242   5.173 -11.666
  606   2HG   PRO  82          1HG       PRO  82  13.660   4.540 -13.269
  607   1HD   PRO  82          2HD       PRO  82  15.358   4.720 -10.802
  608   2HD   PRO  82          1HD       PRO  82  15.213   3.391 -11.975
  609    H    THR  83           H        THR  83  15.329   7.275 -10.810
  610    HA   THR  83           HA       THR  83  16.966   9.626 -10.848
  611    HB   THR  83           HB       THR  83  15.851   9.133  -8.262
  612    HG1  THR  83           1HG      THR  83  14.384   7.705  -9.128
  613   1HG2  THR  83          1HG2      THR  83  16.184  11.336  -9.187
  614   2HG2  THR  83          2HG2      THR  83  14.462  11.100  -8.892
  615   3HG2  THR  83          3HG2      THR  83  15.102  10.974 -10.531
  616    H    LEU  84           H        LEU  84  19.119   9.221 -10.650
  617    HA   LEU  84           HA       LEU  84  20.063   7.410  -8.567
  618   1HB   LEU  84          2HB       LEU  84  21.729   9.027 -10.492
  619   2HB   LEU  84          1HB       LEU  84  22.233   7.636  -9.551
  620    HG   LEU  84           HG       LEU  84  20.028   7.286 -11.530
  621   1HD1  LEU  84          1HD1      LEU  84  21.381   8.239 -13.078
  622   2HD1  LEU  84          2HD1      LEU  84  22.851   7.920 -12.159
  623   3HD1  LEU  84          3HD1      LEU  84  22.084   6.620 -13.071
  624   1HD2  LEU  84          1HD2      LEU  84  21.050   5.571  -9.831
  625   2HD2  LEU  84          2HD2      LEU  84  20.618   5.075 -11.467
  626   3HD2  LEU  84          3HD2      LEU  84  22.300   5.417 -11.068
  627    H    MET  85           H        MET  85  20.301   8.178  -6.604
  628    HA   MET  85           HA       MET  85  20.772  11.031  -6.206
  629   1HB   MET  85          2HB       MET  85  19.135   9.006  -4.968
  630   2HB   MET  85          1HB       MET  85  20.157   9.777  -3.773
  631   1HG   MET  85          2HG       MET  85  18.913  11.620  -3.777
  632   2HG   MET  85          1HG       MET  85  18.942  11.715  -5.537
  633   1HE   MET  85          1HE       MET  85  16.936  12.646  -5.872
  634   2HE   MET  85          2HE       MET  85  16.385  11.329  -6.906
  635   3HE   MET  85          3HE       MET  85  15.325  11.962  -5.645
  636    H    GLY  86           H        GLY  86  22.969   9.354  -6.918
  637   1HA   GLY  86          1HA       GLY  86  25.220   9.696  -5.968
  638   2HA   GLY  86          2HA       GLY  86  24.513   9.347  -4.395
  639    H    GLY  87           H        GLY  87  22.827   7.254  -5.465
  640   1HA   GLY  87          1HA       GLY  87  24.807   5.220  -6.244
  641   2HA   GLY  87          2HA       GLY  87  23.652   4.889  -4.958
  642    H    GLU  88           H        GLU  88  22.994   3.079  -6.389
  643    HA   GLU  88           HA       GLU  88  21.512   3.964  -8.727
  644   1HB   GLU  88          2HB       GLU  88  22.204   1.126  -7.962
  645   2HB   GLU  88          1HB       GLU  88  21.704   1.720  -9.541
  646   1HG   GLU  88          2HG       GLU  88  23.750   2.894  -9.838
  647   2HG   GLU  88          1HG       GLU  88  24.224   2.604  -8.170
  648    H    PHE  89           H        PHE  89  19.729   4.785  -7.623
  649    HA   PHE  89           HA       PHE  89  18.027   2.873  -6.206
  650   1HB   PHE  89          2HB       PHE  89  17.604   5.849  -6.443
  651   2HB   PHE  89          1HB       PHE  89  16.961   4.742  -5.223
  652    HD1  PHE  89           1HD      PHE  89  18.638   3.579  -3.706
  653    HD2  PHE  89           2HD      PHE  89  19.545   6.992  -6.066
  654    HE1  PHE  89           1HE      PHE  89  20.630   3.993  -2.333
  655    HE2  PHE  89           2HE      PHE  89  21.527   7.425  -4.691
  656    HZ   PHE  89           HZ       PHE  89  22.080   5.909  -2.850
  657    H    GLY  90           H        GLY  90  15.575   3.850  -6.472
  658   1HA   GLY  90          1HA       GLY  90  15.028   3.467  -9.341
  659   2HA   GLY  90          2HA       GLY  90  13.927   3.037  -8.038
  660    H    ASP  91           H        ASP  91  12.512   4.523  -7.285
  661    HA   ASP  91           HA       ASP  91  12.431   7.028  -8.763
  662   1HB   ASP  91          2HB       ASP  91   9.969   6.910  -8.045
  663   2HB   ASP  91          1HB       ASP  91  10.520   5.698  -9.196
  664    H    GLU  92           H        GLU  92  10.232   7.106  -6.401
  665    HA   GLU  92           HA       GLU  92  11.796   8.159  -4.229
  666   1HB   GLU  92          2HB       GLU  92  10.041   9.938  -5.926
  667   2HB   GLU  92          1HB       GLU  92  10.414  10.324  -4.253
  668   1HG   GLU  92          2HG       GLU  92  12.787   9.697  -5.765
  669   2HG   GLU  92          1HG       GLU  92  11.873  11.019  -6.490
  670    H    ASP  93           H        ASP  93   8.604   8.034  -5.718
  671    HA   ASP  93           HA       ASP  93   7.565   6.656  -3.391
  672   1HB   ASP  93          2HB       ASP  93   6.024   8.182  -2.725
  673   2HB   ASP  93          1HB       ASP  93   7.131   9.325  -3.470
  674    H    GLU  94           H        GLU  94   7.293   7.636  -6.733
  675    HA   GLU  94           HA       GLU  94   6.272   6.746  -8.537
  676   1HB   GLU  94          2HB       GLU  94   7.066   4.511  -6.941
  677   2HB   GLU  94          1HB       GLU  94   5.505   4.148  -7.665
  678   1HG   GLU  94          2HG       GLU  94   7.330   5.342  -9.568
  679   2HG   GLU  94          1HG       GLU  94   7.985   3.871  -8.851
  680    H    ARG  95           H        ARG  95   4.348   4.486  -6.817
  681    HA   ARG  95           HA       ARG  95   2.071   6.350  -6.889
  682   1HB   ARG  95          2HB       ARG  95   2.326   4.087  -8.434
  683   2HB   ARG  95          1HB       ARG  95   1.398   3.504  -7.059
  684   1HG   ARG  95          2HG       ARG  95  -0.338   4.202  -8.304
  685   2HG   ARG  95          1HG       ARG  95   0.054   5.762  -7.576
  686   1HD   ARG  95          2HD       ARG  95   0.295   6.565  -9.638
  687   2HD   ARG  95          1HD       ARG  95   1.741   5.563  -9.778
  688    HE   ARG  95           HE       ARG  95   0.566   4.056 -11.078
  689   1HH1  ARG  95          2HH1      ARG  95  -1.633   6.465  -9.774
  690   2HH1  ARG  95          1HH1      ARG  95  -2.916   6.064 -10.885
  691   1HH2  ARG  95          2HH2      ARG  95  -1.113   3.509 -12.495
  692   2HH2  ARG  95          1HH2      ARG  95  -2.643   4.341 -12.398
  693    H    LEU  96           H        LEU  96   4.034   4.302  -5.058
  694    HA   LEU  96           HA       LEU  96   3.957   3.396  -2.975
  695   1HB   LEU  96          2HB       LEU  96   2.414   5.947  -2.629
  696   2HB   LEU  96          1HB       LEU  96   2.706   4.864  -1.280
  697    HG   LEU  96           HG       LEU  96   4.820   6.245  -2.933
  698   1HD1  LEU  96          1HD1      LEU  96   3.289   7.098  -0.697
  699   2HD1  LEU  96          2HD1      LEU  96   4.953   6.844  -0.170
  700   3HD1  LEU  96          3HD1      LEU  96   4.611   7.931  -1.516
  701   1HD2  LEU  96          1HD2      LEU  96   6.134   5.317  -0.799
  702   2HD2  LEU  96          2HD2      LEU  96   4.922   4.047  -0.958
  703   3HD2  LEU  96          3HD2      LEU  96   5.996   4.414  -2.309
  704    H    ILE  97           H        ILE  97   0.958   4.651  -2.006
  705    HA   ILE  97           HA       ILE  97  -0.691   2.591  -3.041
  706    HB   ILE  97           HB       ILE  97  -1.253   2.221  -0.334
  707   1HG1  ILE  97          2HG1      ILE  97   1.259   1.013  -0.141
  708   2HG1  ILE  97          1HG1      ILE  97   1.584   2.646  -0.713
  709   1HG2  ILE  97          1HG2      ILE  97  -0.764  -0.101  -0.816
  710   2HG2  ILE  97          2HG2      ILE  97  -1.600   0.650  -2.176
  711   3HG2  ILE  97          3HG2      ILE  97   0.141   0.368  -2.254
  712   1HD1  ILE  97          1HD1      ILE  97   1.535   2.196   1.816
  713   2HD1  ILE  97          2HD1      ILE  97   0.698   3.620   1.196
  714   3HD1  ILE  97          3HD1      ILE  97  -0.217   2.175   1.625
  715    H    THR  98           H        THR  98  -2.726   3.277  -3.109
  716    HA   THR  98           HA       THR  98  -3.433   5.630  -1.499
  717    HB   THR  98           HB       THR  98  -3.735   5.031  -4.311
  718    HG1  THR  98           1HG      THR  98  -4.657   7.370  -2.991
  719   1HG2  THR  98          1HG2      THR  98  -5.964   4.224  -3.607
  720   2HG2  THR  98          2HG2      THR  98  -6.029   5.632  -4.669
  721   3HG2  THR  98          3HG2      THR  98  -6.296   5.821  -2.936
  722    H    ARG  99           H        ARG  99  -4.938   5.320   0.033
  723    HA   ARG  99           HA       ARG  99  -6.194   2.690   0.185
  724   1HB   ARG  99          2HB       ARG  99  -6.699   4.702   2.307
  725   2HB   ARG  99          1HB       ARG  99  -6.375   2.982   2.441
  726   1HG   ARG  99          2HG       ARG  99  -4.022   4.170   1.472
  727   2HG   ARG  99          1HG       ARG  99  -4.603   5.182   2.792
  728   1HD   ARG  99          2HD       ARG  99  -3.588   2.407   2.817
  729   2HD   ARG  99          1HD       ARG  99  -3.396   3.692   4.007
  730    HE   ARG  99           HE       ARG  99  -5.479   1.680   3.897
  731   1HH1  ARG  99          2HH1      ARG  99  -4.652   4.868   5.123
  732   2HH1  ARG  99          1HH1      ARG  99  -5.655   4.710   6.540
  733   1HH2  ARG  99          2HH2      ARG  99  -6.740   1.457   5.746
  734   2HH2  ARG  99          1HH2      ARG  99  -6.829   2.761   6.900
  735    H    LEU 100           H        LEU 100  -8.327   2.313  -0.025
  736    HA   LEU 100           HA       LEU 100 -10.108   4.630  -0.303
  737   1HB   LEU 100          2HB       LEU 100  -9.221   3.204  -2.436
  738   2HB   LEU 100          1HB       LEU 100 -10.688   2.333  -2.042
  739    HG   LEU 100           HG       LEU 100 -11.679   4.806  -2.015
  740   1HD1  LEU 100          1HD1      LEU 100 -10.481   6.382  -3.051
  741   2HD1  LEU 100          2HD1      LEU 100  -9.100   5.320  -2.767
  742   3HD1  LEU 100          3HD1      LEU 100  -9.948   5.272  -4.315
  743   1HD2  LEU 100          1HD2      LEU 100 -12.403   4.446  -4.304
  744   2HD2  LEU 100          2HD2      LEU 100 -11.128   3.250  -4.539
  745   3HD2  LEU 100          3HD2      LEU 100 -12.440   2.928  -3.405
  746    H    GLU 101           H        GLU 101 -12.415   3.803  -0.469
  747    HA   GLU 101           HA       GLU 101 -12.820   1.662   1.513
  748   1HB   GLU 101          2HB       GLU 101 -15.202   3.218   1.091
  749   2HB   GLU 101          1HB       GLU 101 -14.304   2.955   2.579
  750   1HG   GLU 101          2HG       GLU 101 -13.512   5.018   2.551
  751   2HG   GLU 101          1HG       GLU 101 -12.951   4.853   0.891
  752    H    ASN 102           H        ASN 102 -14.218   0.014   1.032
  753    HA   ASN 102           HA       ASN 102 -14.638  -0.585  -1.714
  754   1HB   ASN 102          2HB       ASN 102 -14.325  -2.302   0.067
  755   2HB   ASN 102          1HB       ASN 102 -15.913  -1.883   0.710
  756   1HD2  ASN 102          1HD2      ASN 102 -16.276  -4.179   0.369
  757   2HD2  ASN 102          2HD2      ASN 102 -16.829  -4.705  -1.189
  758    H    THR 103           H        THR 103 -16.884   0.131   0.922
  759    HA   THR 103           HA       THR 103 -18.458   1.860  -0.696
  760    HB   THR 103           HB       THR 103 -19.777  -0.719   0.205
  761    HG1  THR 103           1HG      THR 103 -18.564  -0.053  -2.090
  762   1HG2  THR 103          1HG2      THR 103 -21.632   0.523   0.338
  763   2HG2  THR 103          2HG2      THR 103 -21.548   0.644  -1.419
  764   3HG2  THR 103          3HG2      THR 103 -20.851   1.916  -0.414
  765    H    GLN 104           H        GLN 104 -18.891  -0.283   2.108
  766    HA   GLN 104           HA       GLN 104 -18.838   2.043   3.862
  767   1HB   GLN 104          2HB       GLN 104 -20.818   0.884   5.142
  768   2HB   GLN 104          1HB       GLN 104 -21.148   1.974   3.804
  769   1HG   GLN 104          2HG       GLN 104 -22.351   0.367   2.872
  770   2HG   GLN 104          1HG       GLN 104 -20.867  -0.561   2.657
  771   1HE2  GLN 104          1HE2      GLN 104 -21.807  -2.547   2.963
  772   2HE2  GLN 104          2HE2      GLN 104 -22.434  -3.069   4.500
  773    H    PHE 105           H        PHE 105 -19.656  -1.406   4.153
  774    HA   PHE 105           HA       PHE 105 -17.241  -1.885   5.692
  775   1HB   PHE 105          2HB       PHE 105 -20.035  -1.901   6.667
  776   2HB   PHE 105          1HB       PHE 105 -19.080  -3.309   7.101
  777    HD1  PHE 105           1HD      PHE 105 -16.506  -2.414   7.705
  778    HD2  PHE 105           2HD      PHE 105 -20.197  -0.430   8.395
  779    HE1  PHE 105           1HE      PHE 105 -15.466  -1.128   9.528
  780    HE2  PHE 105           2HE      PHE 105 -19.172   0.858  10.224
  781    HZ   PHE 105           HZ       PHE 105 -16.802   0.509  10.789
  782    H    ASP 106           H        ASP 106 -19.086  -4.355   6.351
  783    HA   ASP 106           HA       ASP 106 -18.865  -5.684   3.726
  784   1HB   ASP 106          2HB       ASP 106 -17.386  -6.711   5.514
  785   2HB   ASP 106          1HB       ASP 106 -18.849  -7.097   6.398
  786    H    ALA 107           H        ALA 107 -20.368  -6.228   6.843
  787    HA   ALA 107           HA       ALA 107 -22.997  -5.557   5.931
  788   1HB   ALA 107          1HB       ALA 107 -22.448  -8.478   6.462
  789   2HB   ALA 107          2HB       ALA 107 -24.031  -7.756   6.171
  790   3HB   ALA 107          3HB       ALA 107 -22.816  -7.765   4.891
  791    H    ALA 108           H        ALA 108 -20.958  -5.190   8.132
  792    HA   ALA 108           HA       ALA 108 -20.946  -4.710  10.349
  793   1HB   ALA 108          1HB       ALA 108 -23.195  -3.822  10.179
  794   2HB   ALA 108          2HB       ALA 108 -23.875  -5.445  10.297
  795   3HB   ALA 108          3HB       ALA 108 -23.024  -4.743  11.674
  796    H    ASN 109           H        ASN 109 -23.260  -7.384  10.235
  797    HA   ASN 109           HA       ASN 109 -21.398  -9.040  11.795
  798   1HB   ASN 109          2HB       ASN 109 -23.886  -8.787  12.439
  799   2HB   ASN 109          1HB       ASN 109 -24.215  -9.812  11.045
  800   1HD2  ASN 109          1HD2      ASN 109 -25.004 -10.683  13.457
  801   2HD2  ASN 109          2HD2      ASN 109 -23.994 -11.995  13.997
  802    H    GLY 110           H        GLY 110 -20.585  -8.470   9.275
  803   1HA   GLY 110          1HA       GLY 110 -21.492 -10.495   7.420
  804   2HA   GLY 110          2HA       GLY 110 -20.252  -9.283   7.125
  805    H    ILE 111           H        ILE 111 -18.706 -10.595   6.290
  806    HA   ILE 111           HA       ILE 111 -17.551 -12.566   8.156
  807    HB   ILE 111           HB       ILE 111 -17.577 -12.898   5.154
  808   1HG1  ILE 111          2HG1      ILE 111 -19.082 -14.900   6.603
  809   2HG1  ILE 111          1HG1      ILE 111 -19.730 -13.293   6.917
  810   1HG2  ILE 111          1HG2      ILE 111 -17.046 -15.066   7.142
  811   2HG2  ILE 111          2HG2      ILE 111 -16.529 -14.935   5.460
  812   3HG2  ILE 111          3HG2      ILE 111 -15.764 -13.938   6.699
  813   1HD1  ILE 111          1HD1      ILE 111 -19.281 -14.488   4.193
  814   2HD1  ILE 111          2HD1      ILE 111 -20.830 -14.390   5.032
  815   3HD1  ILE 111          3HD1      ILE 111 -19.997 -12.914   4.542
  816    H    ASP 112           H        ASP 112 -17.107 -10.150   5.695
  817    HA   ASP 112           HA       ASP 112 -14.192 -10.219   6.117
  818   1HB   ASP 112          2HB       ASP 112 -15.742  -9.950   3.772
  819   2HB   ASP 112          1HB       ASP 112 -14.986  -8.383   4.051
  820    H    ASP 113           H        ASP 113 -16.597  -8.924   7.602
  821    HA   ASP 113           HA       ASP 113 -15.976  -6.117   7.546
  822   1HB   ASP 113          2HB       ASP 113 -18.180  -7.522   8.328
  823   2HB   ASP 113          1HB       ASP 113 -17.430  -7.181   9.885
  824    H    GLU 114           H        GLU 114 -15.524  -5.051   9.773
  825    HA   GLU 114           HA       GLU 114 -13.451  -6.629  11.145
  826   1HB   GLU 114          2HB       GLU 114 -12.670  -4.675   9.621
  827   2HB   GLU 114          1HB       GLU 114 -13.280  -3.641  10.905
  828   1HG   GLU 114          2HG       GLU 114 -11.644  -5.663  12.065
  829   2HG   GLU 114          1HG       GLU 114 -10.773  -4.923  10.721
  Start of MODEL   19
    1   1H    GLY   1          1H        GLY   1 -20.914  -9.646  -4.053
    2   2H    GLY   1          2H        GLY   1 -21.332  -8.753  -5.431
    3   3H    GLY   1          3H        GLY   1 -19.953  -8.336  -4.543
    4   1HA   GLY   1          2HA       GLY   1 -19.726 -11.032  -5.272
    5   2HA   GLY   1          1HA       GLY   1 -20.152 -10.101  -6.701
    6    H    SER   2           H        SER   2 -18.246 -10.041  -7.772
    7    HA   SER   2           HA       SER   2 -15.810  -9.368  -6.326
    8   1HB   SER   2          2HB       SER   2 -16.116  -9.954  -9.276
    9   2HB   SER   2          1HB       SER   2 -14.636 -10.019  -8.311
   10    HG   SER   2           HG       SER   2 -16.002 -11.651  -7.031
   11    H    LEU   3           H        LEU   3 -14.583  -7.562  -6.680
   12    HA   LEU   3           HA       LEU   3 -15.759  -5.458  -8.377
   13   1HB   LEU   3          2HB       LEU   3 -14.655  -5.251  -5.584
   14   2HB   LEU   3          1HB       LEU   3 -14.740  -3.855  -6.643
   15    HG   LEU   3           HG       LEU   3 -17.292  -5.190  -6.557
   16   1HD1  LEU   3          1HD1      LEU   3 -17.862  -4.875  -4.253
   17   2HD1  LEU   3          2HD1      LEU   3 -16.447  -5.922  -4.336
   18   3HD1  LEU   3          3HD1      LEU   3 -16.263  -4.224  -3.894
   19   1HD2  LEU   3          1HD2      LEU   3 -16.137  -2.492  -6.178
   20   2HD2  LEU   3          2HD2      LEU   3 -17.473  -3.027  -7.200
   21   3HD2  LEU   3          3HD2      LEU   3 -17.725  -2.795  -5.471
   22    H    LEU   4           H        LEU   4 -12.840  -5.786  -6.414
   23    HA   LEU   4           HA       LEU   4 -11.214  -5.612  -8.865
   24   1HB   LEU   4          2HB       LEU   4 -10.267  -4.631  -6.188
   25   2HB   LEU   4          1HB       LEU   4  -9.579  -4.316  -7.771
   26    HG   LEU   4           HG       LEU   4 -12.282  -3.289  -7.576
   27   1HD1  LEU   4          1HD1      LEU   4 -10.416  -2.788  -5.347
   28   2HD1  LEU   4          2HD1      LEU   4 -11.195  -1.365  -6.042
   29   3HD1  LEU   4          3HD1      LEU   4 -12.177  -2.686  -5.405
   30   1HD2  LEU   4          1HD2      LEU   4 -10.138  -1.366  -7.839
   31   2HD2  LEU   4          2HD2      LEU   4  -9.896  -2.761  -8.896
   32   3HD2  LEU   4          3HD2      LEU   4 -11.390  -1.825  -8.994
   33    H    THR   5           H        THR   5  -9.101  -6.732  -8.598
   34    HA   THR   5           HA       THR   5  -9.307  -8.838  -6.559
   35    HB   THR   5           HB       THR   5  -7.713  -9.886  -8.600
   36    HG1  THR   5           1HG      THR   5 -10.150  -9.306  -9.843
   37   1HG2  THR   5          1HG2      THR   5 -10.120 -10.455  -7.143
   38   2HG2  THR   5          2HG2      THR   5  -8.947 -11.576  -7.844
   39   3HG2  THR   5          3HG2      THR   5 -10.285 -10.969  -8.823
   40    H    CYS   6           H        CYS   6  -7.618  -9.198  -5.334
   41    HA   CYS   6           HA       CYS   6  -5.365  -7.405  -5.577
   42   1HB   CYS   6          2HB       CYS   6  -5.735  -7.338  -3.369
   43   2HB   CYS   6          1HB       CYS   6  -6.785  -8.749  -3.432
   44    H    GLY   7           H        GLY   7  -3.304  -8.015  -5.956
   45   1HA   GLY   7          1HA       GLY   7  -2.951 -10.526  -7.285
   46   2HA   GLY   7          2HA       GLY   7  -1.729  -9.284  -7.059
   47    H    GLY   8           H        GLY   8  -2.890  -9.811  -4.053
   48   1HA   GLY   8          1HA       GLY   8  -0.579 -11.452  -3.390
   49   2HA   GLY   8          2HA       GLY   8  -1.633 -10.618  -2.255
   50    H    CYS   9           H        CYS   9  -4.077 -11.568  -2.707
   51    HA   CYS   9           HA       CYS   9  -3.756 -14.430  -2.117
   52   1HB   CYS   9          2HB       CYS   9  -5.823 -14.263  -0.839
   53   2HB   CYS   9          1HB       CYS   9  -4.678 -13.040  -0.293
   54    H    GLN  10           H        GLN  10  -5.283 -12.156  -4.201
   55    HA   GLN  10           HA       GLN  10  -6.557 -12.317  -6.051
   56   1HB   GLN  10          2HB       GLN  10  -5.571 -15.151  -5.894
   57   2HB   GLN  10          1HB       GLN  10  -6.530 -14.549  -7.237
   58   1HG   GLN  10          2HG       GLN  10  -4.058 -13.092  -6.463
   59   2HG   GLN  10          1HG       GLN  10  -3.916 -14.608  -7.346
   60   1HE2  GLN  10          1HE2      GLN  10  -5.045 -11.322  -7.454
   61   2HE2  GLN  10          2HE2      GLN  10  -5.226 -11.235  -9.183
   62    H    GLN  11           H        GLN  11  -7.683 -12.855  -3.329
   63    HA   GLN  11           HA       GLN  11  -9.929 -14.606  -3.978
   64   1HB   GLN  11          2HB       GLN  11 -10.295 -14.832  -1.704
   65   2HB   GLN  11          1HB       GLN  11  -8.555 -14.627  -1.768
   66   1HG   GLN  11          2HG       GLN  11  -8.759 -13.002  -0.290
   67   2HG   GLN  11          1HG       GLN  11  -9.590 -12.046  -1.517
   68   1HE2  GLN  11          1HE2      GLN  11 -11.120 -11.054  -0.351
   69   2HE2  GLN  11          2HE2      GLN  11 -12.314 -11.857   0.609
   70    H    ASN  12           H        ASN  12  -9.334 -11.652  -4.782
   71    HA   ASN  12           HA       ASN  12 -10.607  -9.920  -5.505
   72   1HB   ASN  12          2HB       ASN  12 -12.446 -11.223  -6.140
   73   2HB   ASN  12          1HB       ASN  12 -12.819 -11.677  -4.482
   74   1HD2  ASN  12          1HD2      ASN  12 -14.314 -10.548  -3.410
   75   2HD2  ASN  12          2HD2      ASN  12 -15.039  -9.075  -3.985
   76    H    ILE  13           H        ILE  13 -10.905  -7.935  -4.716
   77    HA   ILE  13           HA       ILE  13 -10.745  -7.603  -1.820
   78    HB   ILE  13           HB       ILE  13 -10.706  -5.365  -3.808
   79   1HG1  ILE  13          2HG1      ILE  13  -8.135  -6.529  -2.876
   80   2HG1  ILE  13          1HG1      ILE  13  -8.998  -7.390  -4.146
   81   1HG2  ILE  13          1HG2      ILE  13 -10.585  -5.461  -1.038
   82   2HG2  ILE  13          2HG2      ILE  13  -8.916  -5.177  -1.549
   83   3HG2  ILE  13          3HG2      ILE  13 -10.202  -4.083  -2.069
   84   1HD1  ILE  13          1HD1      ILE  13  -8.597  -5.799  -5.686
   85   2HD1  ILE  13          2HD1      ILE  13  -8.671  -4.484  -4.510
   86   3HD1  ILE  13          3HD1      ILE  13  -7.216  -5.476  -4.633
   87    H    GLY  14           H        GLY  14 -12.705  -7.802  -0.926
   88   1HA   GLY  14          1HA       GLY  14 -14.965  -6.392  -2.180
   89   2HA   GLY  14          2HA       GLY  14 -15.097  -7.720  -1.028
   90    H    ASP  15           H        ASP  15 -12.700  -5.577  -0.131
   91    HA   ASP  15           HA       ASP  15 -14.277  -4.620   2.089
   92   1HB   ASP  15          2HB       ASP  15 -11.378  -4.278   1.322
   93   2HB   ASP  15          1HB       ASP  15 -12.094  -3.447   2.700
   94    H    ARG  16           H        ARG  16 -13.620  -2.169   2.672
   95    HA   ARG  16           HA       ARG  16 -14.647  -0.627   0.401
   96   1HB   ARG  16          2HB       ARG  16 -15.788   0.659   1.871
   97   2HB   ARG  16          1HB       ARG  16 -15.535  -0.690   2.963
   98   1HG   ARG  16          2HG       ARG  16 -13.323   1.193   2.993
   99   2HG   ARG  16          1HG       ARG  16 -14.862   1.937   3.428
  100   1HD   ARG  16          2HD       ARG  16 -14.720  -0.567   4.740
  101   2HD   ARG  16          1HD       ARG  16 -13.176   0.249   4.990
  102    HE   ARG  16           HE       ARG  16 -14.762   2.212   5.657
  103   1HH1  ARG  16          2HH1      ARG  16 -15.206  -1.204   6.353
  104   2HH1  ARG  16          1HH1      ARG  16 -16.048  -0.912   7.851
  105   1HH2  ARG  16          2HH2      ARG  16 -15.898   2.587   7.592
  106   2HH2  ARG  16          1HH2      ARG  16 -16.492   1.248   8.525
  107    H    TYR  17           H        TYR  17 -11.840  -1.130   2.288
  108    HA   TYR  17           HA       TYR  17 -10.540   1.110   0.889
  109   1HB   TYR  17          2HB       TYR  17 -10.994   1.091   3.596
  110   2HB   TYR  17          1HB       TYR  17  -9.380   0.394   3.496
  111    HD1  TYR  17           1HD      TYR  17 -11.303   3.221   2.015
  112    HD2  TYR  17           2HD      TYR  17  -7.603   1.874   3.611
  113    HE1  TYR  17           1HE      TYR  17 -10.387   5.485   1.761
  114    HE2  TYR  17           2HE      TYR  17  -6.668   4.137   3.365
  115    HH   TYR  17           HH       TYR  17  -8.506   6.728   1.793
  116    H    PHE  18           H        PHE  18  -8.537   0.647   0.026
  117    HA   PHE  18           HA       PHE  18  -7.239  -1.856   0.687
  118   1HB   PHE  18          2HB       PHE  18  -7.444  -2.902  -1.430
  119   2HB   PHE  18          1HB       PHE  18  -9.066  -2.410  -0.965
  120    HD1  PHE  18           1HD      PHE  18  -7.003  -2.713  -3.646
  121    HD2  PHE  18           2HD      PHE  18  -9.533   0.191  -1.832
  122    HE1  PHE  18           1HE      PHE  18  -7.278  -1.594  -5.819
  123    HE2  PHE  18           2HE      PHE  18  -9.803   1.313  -3.998
  124    HZ   PHE  18           HZ       PHE  18  -8.677   0.422  -5.996
  125    H    LEU  19           H        LEU  19  -5.476  -2.201  -1.227
  126    HA   LEU  19           HA       LEU  19  -4.077   0.375  -1.547
  127   1HB   LEU  19          2HB       LEU  19  -3.165  -2.258  -0.497
  128   2HB   LEU  19          1HB       LEU  19  -2.042  -1.371  -1.504
  129    HG   LEU  19           HG       LEU  19  -3.307   0.035   0.803
  130   1HD1  LEU  19          1HD1      LEU  19  -0.794  -1.159   1.536
  131   2HD1  LEU  19          2HD1      LEU  19  -2.343  -1.191   2.381
  132   3HD1  LEU  19          3HD1      LEU  19  -1.986  -2.399   1.146
  133   1HD2  LEU  19          1HD2      LEU  19  -1.628   0.903  -1.059
  134   2HD2  LEU  19          2HD2      LEU  19  -1.548   1.470   0.609
  135   3HD2  LEU  19          3HD2      LEU  19  -0.440   0.215   0.051
  136    H    LYS  20           H        LYS  20  -3.284   0.747  -3.628
  137    HA   LYS  20           HA       LYS  20  -2.698  -1.447  -5.362
  138   1HB   LYS  20          2HB       LYS  20  -4.722  -1.720  -6.266
  139   2HB   LYS  20          1HB       LYS  20  -5.356  -0.279  -5.491
  140   1HG   LYS  20          2HG       LYS  20  -3.690   0.504  -7.658
  141   2HG   LYS  20          1HG       LYS  20  -4.806  -0.722  -8.221
  142   1HD   LYS  20          2HD       LYS  20  -6.589   0.688  -6.962
  143   2HD   LYS  20          1HD       LYS  20  -5.385   1.976  -7.063
  144   1HE   LYS  20          2HE       LYS  20  -5.500   2.087  -9.362
  145   2HE   LYS  20          1HE       LYS  20  -6.090   0.433  -9.517
  146   1HZ   LYS  20          1HZ       LYS  20  -8.104   1.297  -9.715
  147   2HZ   LYS  20          2HZ       LYS  20  -7.558   2.852  -9.313
  148   3HZ   LYS  20          3HZ       LYS  20  -8.023   1.776  -8.091
  149    H    ALA  21           H        ALA  21  -1.515  -0.783  -7.231
  150    HA   ALA  21           HA       ALA  21  -1.253   1.684  -8.338
  151   1HB   ALA  21          1HB       ALA  21   0.682   2.757  -7.319
  152   2HB   ALA  21          2HB       ALA  21  -0.631   2.605  -6.150
  153   3HB   ALA  21          3HB       ALA  21   0.745   1.501  -6.081
  154    H    ILE  22           H        ILE  22   0.545  -1.049  -7.110
  155    HA   ILE  22           HA       ILE  22   2.862  -0.933  -8.544
  156    HB   ILE  22           HB       ILE  22   1.259  -3.352  -7.713
  157   1HG1  ILE  22          2HG1      ILE  22   3.643  -1.907  -6.544
  158   2HG1  ILE  22          1HG1      ILE  22   2.021  -2.001  -5.869
  159   1HG2  ILE  22          1HG2      ILE  22   2.613  -4.671  -8.877
  160   2HG2  ILE  22          2HG2      ILE  22   3.486  -3.264  -9.488
  161   3HG2  ILE  22          3HG2      ILE  22   3.989  -4.022  -7.978
  162   1HD1  ILE  22          1HD1      ILE  22   3.236  -3.500  -4.596
  163   2HD1  ILE  22          2HD1      ILE  22   2.442  -4.537  -5.781
  164   3HD1  ILE  22          3HD1      ILE  22   4.138  -4.103  -5.982
  165    H    ASP  23           H        ASP  23  -0.210  -2.241  -9.568
  166    HA   ASP  23           HA       ASP  23  -0.335  -1.721 -12.173
  167   1HB   ASP  23          2HB       ASP  23   1.895  -2.875 -12.466
  168   2HB   ASP  23          1HB       ASP  23   1.126  -4.375 -11.955
  169    H    GLN  24           H        GLN  24  -0.797  -3.645  -9.518
  170    HA   GLN  24           HA       GLN  24  -3.267  -4.793 -10.618
  171   1HB   GLN  24          2HB       GLN  24  -1.229  -5.982  -8.772
  172   2HB   GLN  24          1HB       GLN  24  -2.920  -6.406  -8.555
  173   1HG   GLN  24          2HG       GLN  24  -2.650  -7.971 -10.076
  174   2HG   GLN  24          1HG       GLN  24  -2.435  -6.695 -11.275
  175   1HE2  GLN  24          1HE2      GLN  24  -0.015  -5.667 -10.482
  176   2HE2  GLN  24          2HE2      GLN  24   1.241  -6.841 -10.703
  177    H    TYR  25           H        TYR  25  -4.714  -5.329  -8.685
  178    HA   TYR  25           HA       TYR  25  -4.674  -3.070  -6.809
  179   1HB   TYR  25          2HB       TYR  25  -6.966  -5.001  -7.013
  180   2HB   TYR  25          1HB       TYR  25  -6.969  -3.330  -6.451
  181    HD1  TYR  25           1HD      TYR  25  -8.083  -5.369  -8.977
  182    HD2  TYR  25           2HD      TYR  25  -6.099  -1.632  -8.434
  183    HE1  TYR  25           1HE      TYR  25  -8.843  -4.645 -11.200
  184    HE2  TYR  25           2HE      TYR  25  -6.860  -0.910 -10.659
  185    HH   TYR  25           HH       TYR  25  -9.284  -2.457 -12.375
  186    H    TRP  26           H        TRP  26  -4.814  -3.588  -4.566
  187    HA   TRP  26           HA       TRP  26  -3.989  -6.342  -3.947
  188   1HB   TRP  26          2HB       TRP  26  -2.710  -3.814  -2.883
  189   2HB   TRP  26          1HB       TRP  26  -2.271  -5.458  -2.438
  190    HD1  TRP  26           HD       TRP  26  -1.780  -2.856  -5.155
  191    HE1  TRP  26           1HE      TRP  26   0.018  -3.694  -6.789
  192    HE3  TRP  26           3HE      TRP  26  -1.286  -7.639  -3.431
  193    HZ2  TRP  26           2HZ      TRP  26   1.452  -6.076  -7.298
  194    HZ3  TRP  26           3HZ      TRP  26   0.319  -9.135  -4.549
  195    HH2  TRP  26           HH       TRP  26   1.660  -8.368  -6.440
  196    H    HIS  27           H        HIS  27  -3.519  -6.045  -1.330
  197    HA   HIS  27           HA       HIS  27  -6.055  -5.091  -0.181
  198   1HB   HIS  27          2HB       HIS  27  -4.712  -7.722   0.083
  199   2HB   HIS  27          1HB       HIS  27  -5.305  -7.018   1.581
  200    HD2  HIS  27           2HD      HIS  27  -8.183  -5.989   0.857
  201    HE1  HIS  27           1HE      HIS  27  -8.752  -9.795  -0.917
  202    HE2  HIS  27           2HE      HIS  27  -9.905  -7.827   0.207
  203    H    GLU  28           H        GLU  28  -5.858  -4.375   2.029
  204    HA   GLU  28           HA       GLU  28  -3.582  -2.805   2.543
  205   1HB   GLU  28          2HB       GLU  28  -6.093  -3.525   3.908
  206   2HB   GLU  28          1HB       GLU  28  -4.786  -3.022   4.961
  207   1HG   GLU  28          2HG       GLU  28  -4.591  -0.925   3.766
  208   2HG   GLU  28          1HG       GLU  28  -5.849  -1.433   2.640
  209    H    ASP  29           H        ASP  29  -4.566  -6.012   3.629
  210    HA   ASP  29           HA       ASP  29  -2.184  -6.175   5.322
  211   1HB   ASP  29          2HB       ASP  29  -4.348  -6.624   6.392
  212   2HB   ASP  29          1HB       ASP  29  -4.644  -7.929   5.248
  213    H    CYS  30           H        CYS  30  -3.134  -7.092   2.308
  214    HA   CYS  30           HA       CYS  30  -1.755  -9.645   2.258
  215   1HB   CYS  30          2HB       CYS  30  -3.328  -8.061   0.282
  216   2HB   CYS  30          1HB       CYS  30  -2.171  -9.244  -0.319
  217    H    LEU  31           H        LEU  31  -1.335  -6.423   0.829
  218    HA   LEU  31           HA       LEU  31   1.164  -6.945  -0.359
  219   1HB   LEU  31          2HB       LEU  31  -0.531  -4.874  -0.481
  220   2HB   LEU  31          1HB       LEU  31   0.610  -4.216   0.677
  221    HG   LEU  31           HG       LEU  31   1.655  -5.365  -1.874
  222   1HD1  LEU  31          1HD1      LEU  31  -0.208  -3.176  -1.726
  223   2HD1  LEU  31          2HD1      LEU  31   1.364  -2.630  -2.317
  224   3HD1  LEU  31          3HD1      LEU  31   0.519  -3.943  -3.141
  225   1HD2  LEU  31          1HD2      LEU  31   3.383  -3.712  -1.555
  226   2HD2  LEU  31          2HD2      LEU  31   2.506  -3.009  -0.197
  227   3HD2  LEU  31          3HD2      LEU  31   3.172  -4.637  -0.068
  228    H    SER  32           H        SER  32   2.930  -7.559   0.659
  229    HA   SER  32           HA       SER  32   3.586  -6.301   3.236
  230   1HB   SER  32          2HB       SER  32   4.788  -8.861   3.180
  231   2HB   SER  32          1HB       SER  32   3.479  -8.314   4.226
  232    HG   SER  32           HG       SER  32   2.073  -8.874   2.347
  233    H    CYS  33           H        CYS  33   6.049  -6.747   3.701
  234    HA   CYS  33           HA       CYS  33   7.461  -5.539   1.566
  235   1HB   CYS  33          2HB       CYS  33   7.959  -5.238   4.013
  236   2HB   CYS  33          1HB       CYS  33   8.667  -6.848   3.997
  237    H    ASP  34           H        ASP  34   9.487  -6.326   0.746
  238    HA   ASP  34           HA       ASP  34   9.388  -9.176   0.023
  239   1HB   ASP  34          2HB       ASP  34   9.373  -7.175  -1.697
  240   2HB   ASP  34          1HB       ASP  34  11.103  -7.174  -1.389
  241    H    LEU  35           H        LEU  35  11.278  -6.584   1.339
  242    HA   LEU  35           HA       LEU  35  13.674  -8.212   1.546
  243   1HB   LEU  35          2HB       LEU  35  13.748  -5.771   0.991
  244   2HB   LEU  35          1HB       LEU  35  13.195  -5.437   2.623
  245    HG   LEU  35           HG       LEU  35  15.217  -6.445   3.541
  246   1HD1  LEU  35          1HD1      LEU  35  16.339  -6.661   0.776
  247   2HD1  LEU  35          2HD1      LEU  35  16.912  -7.395   2.275
  248   3HD1  LEU  35          3HD1      LEU  35  15.449  -8.002   1.499
  249   1HD2  LEU  35          1HD2      LEU  35  15.546  -4.186   3.301
  250   2HD2  LEU  35          2HD2      LEU  35  16.879  -4.827   2.342
  251   3HD2  LEU  35          3HD2      LEU  35  15.419  -4.242   1.545
  252    H    CYS  36           H        CYS  36  11.692  -6.358   3.891
  253    HA   CYS  36           HA       CYS  36  12.703  -7.774   6.152
  254   1HB   CYS  36          2HB       CYS  36  10.027  -6.379   6.036
  255   2HB   CYS  36          1HB       CYS  36  11.048  -6.649   7.441
  256    H    GLY  37           H        GLY  37   9.871  -8.042   4.090
  257   1HA   GLY  37          1HA       GLY  37   8.778  -9.979   3.452
  258   2HA   GLY  37          2HA       GLY  37   9.752 -10.874   4.614
  259    H    CYS  38           H        CYS  38   8.547  -8.407   6.355
  260    HA   CYS  38           HA       CYS  38   6.566 -10.130   7.543
  261   1HB   CYS  38          2HB       CYS  38   6.845  -7.394   8.595
  262   2HB   CYS  38          1HB       CYS  38   6.901  -8.941   9.436
  263    HG   CYS  38           HG       CYS  38   9.477  -9.193   9.554
  264    H    ARG  39           H        ARG  39   6.215  -6.619   7.202
  265    HA   ARG  39           HA       ARG  39   3.945  -6.864   5.435
  266   1HB   ARG  39          2HB       ARG  39   3.567  -6.873   8.295
  267   2HB   ARG  39          1HB       ARG  39   2.844  -5.430   7.597
  268   1HG   ARG  39          2HG       ARG  39   1.336  -6.636   6.330
  269   2HG   ARG  39          1HG       ARG  39   2.308  -8.108   6.386
  270   1HD   ARG  39          2HD       ARG  39   1.819  -8.267   8.820
  271   2HD   ARG  39          1HD       ARG  39   0.745  -6.879   8.650
  272    HE   ARG  39           HE       ARG  39  -0.810  -8.210   7.569
  273   1HH1  ARG  39          2HH1      ARG  39   2.129 -10.024   8.220
  274   2HH1  ARG  39          1HH1      ARG  39   1.422 -11.553   7.768
  275   1HH2  ARG  39          2HH2      ARG  39  -1.719 -10.206   6.968
  276   2HH2  ARG  39          1HH2      ARG  39  -0.754 -11.657   7.045
  277    H    LEU  40           H        LEU  40   2.825  -4.308   6.531
  278    HA   LEU  40           HA       LEU  40   4.997  -2.490   5.721
  279   1HB   LEU  40          2HB       LEU  40   2.124  -1.764   5.318
  280   2HB   LEU  40          1HB       LEU  40   3.544  -1.140   4.505
  281    HG   LEU  40           HG       LEU  40   2.580  -3.955   4.074
  282   1HD1  LEU  40          1HD1      LEU  40   0.705  -2.887   3.330
  283   2HD1  LEU  40          2HD1      LEU  40   1.567  -1.396   2.955
  284   3HD1  LEU  40          3HD1      LEU  40   1.703  -2.787   1.879
  285   1HD2  LEU  40          1HD2      LEU  40   4.740  -2.292   3.067
  286   2HD2  LEU  40          2HD2      LEU  40   4.507  -4.034   2.945
  287   3HD2  LEU  40          3HD2      LEU  40   3.746  -2.959   1.775
  288    H    GLY  41           H        GLY  41   5.465  -2.458   8.014
  289   1HA   GLY  41          1HA       GLY  41   3.453  -1.035   9.627
  290   2HA   GLY  41          2HA       GLY  41   4.761  -2.027  10.270
  291    H    GLU  42           H        GLU  42   5.585   0.038   7.677
  292    HA   GLU  42           HA       GLU  42   7.006   1.771   9.568
  293   1HB   GLU  42          2HB       GLU  42   8.643   2.129   7.922
  294   2HB   GLU  42          1HB       GLU  42   8.261   0.419   7.816
  295   1HG   GLU  42          2HG       GLU  42   7.743   0.615   5.675
  296   2HG   GLU  42          1HG       GLU  42   6.595   1.914   6.018
  297    H    VAL  43           H        VAL  43   7.511   3.849   7.598
  298    HA   VAL  43           HA       VAL  43   5.181   5.451   7.967
  299    HB   VAL  43           HB       VAL  43   7.376   6.005   5.973
  300   1HG1  VAL  43          1HG1      VAL  43   5.437   7.723   7.503
  301   2HG1  VAL  43          2HG1      VAL  43   6.839   8.373   6.653
  302   3HG1  VAL  43          3HG1      VAL  43   5.578   7.530   5.755
  303   1HG2  VAL  43          1HG2      VAL  43   8.718   5.705   7.803
  304   2HG2  VAL  43          2HG2      VAL  43   8.253   7.390   8.045
  305   3HG2  VAL  43          3HG2      VAL  43   7.438   6.111   8.946
  306    H    GLY  44           H        GLY  44   3.353   4.884   6.967
  307   1HA   GLY  44          1HA       GLY  44   3.554   3.930   4.186
  308   2HA   GLY  44          2HA       GLY  44   2.294   3.477   5.320
  309    H    ARG  45           H        ARG  45   3.623   6.332   3.666
  310    HA   ARG  45           HA       ARG  45   0.832   7.191   3.248
  311   1HB   ARG  45          2HB       ARG  45   1.947   9.520   2.843
  312   2HB   ARG  45          1HB       ARG  45   1.608   8.988   4.481
  313   1HG   ARG  45          2HG       ARG  45   3.801   8.804   5.021
  314   2HG   ARG  45          1HG       ARG  45   4.275   8.335   3.387
  315   1HD   ARG  45          2HD       ARG  45   5.022  10.634   4.238
  316   2HD   ARG  45          1HD       ARG  45   4.302  10.543   2.631
  317    HE   ARG  45           HE       ARG  45   2.205  11.345   3.674
  318   1HH1  ARG  45          2HH1      ARG  45   5.249  11.898   5.341
  319   2HH1  ARG  45          1HH1      ARG  45   4.663  13.307   6.181
  320   1HH2  ARG  45          2HH2      ARG  45   1.439  13.147   4.806
  321   2HH2  ARG  45          1HH2      ARG  45   2.480  13.998   5.910
  322    H    ARG  46           H        ARG  46   4.081   6.914   1.951
  323    HA   ARG  46           HA       ARG  46   2.915   6.512  -0.686
  324   1HB   ARG  46          2HB       ARG  46   4.909   7.743  -1.681
  325   2HB   ARG  46          1HB       ARG  46   3.662   8.735  -0.941
  326   1HG   ARG  46          2HG       ARG  46   5.182   8.616   1.164
  327   2HG   ARG  46          1HG       ARG  46   6.433   8.178   0.000
  328   1HD   ARG  46          2HD       ARG  46   4.760  10.685   0.006
  329   2HD   ARG  46          1HD       ARG  46   6.478  10.559   0.376
  330    HE   ARG  46           HE       ARG  46   6.796   9.899  -1.995
  331   1HH1  ARG  46          2HH1      ARG  46   3.945  11.693  -1.034
  332   2HH1  ARG  46          1HH1      ARG  46   3.677  12.371  -2.615
  333   1HH2  ARG  46          2HH2      ARG  46   6.448  10.780  -4.086
  334   2HH2  ARG  46          1HH2      ARG  46   5.063  11.799  -4.361
  335    H    LEU  47           H        LEU  47   3.290   4.346  -0.669
  336    HA   LEU  47           HA       LEU  47   5.781   3.325   0.381
  337   1HB   LEU  47          2HB       LEU  47   3.252   2.341   0.350
  338   2HB   LEU  47          1HB       LEU  47   3.952   1.470  -1.002
  339    HG   LEU  47           HG       LEU  47   5.803   1.317   1.148
  340   1HD1  LEU  47          1HD1      LEU  47   3.687   1.878   2.472
  341   2HD1  LEU  47          2HD1      LEU  47   3.126   0.271   2.000
  342   3HD1  LEU  47          3HD1      LEU  47   4.605   0.448   2.946
  343   1HD2  LEU  47          1HD2      LEU  47   4.064  -0.983   0.472
  344   2HD2  LEU  47          2HD2      LEU  47   5.002  -0.266  -0.841
  345   3HD2  LEU  47          3HD2      LEU  47   5.821  -0.881   0.596
  346    H    TYR  48           H        TYR  48   7.536   3.357  -0.833
  347    HA   TYR  48           HA       TYR  48   7.355   3.249  -3.723
  348   1HB   TYR  48          2HB       TYR  48   9.787   3.424  -1.931
  349   2HB   TYR  48          1HB       TYR  48   9.800   3.553  -3.684
  350    HD1  TYR  48           1HD      TYR  48   8.097   5.106  -0.770
  351    HD2  TYR  48           2HD      TYR  48   9.944   5.683  -4.580
  352    HE1  TYR  48           1HE      TYR  48   7.775   7.533  -0.542
  353    HE2  TYR  48           2HE      TYR  48   9.592   8.120  -4.360
  354    HH   TYR  48           HH       TYR  48   9.261   9.740  -1.943
  355    H    TYR  49           H        TYR  49   6.816   1.231  -4.343
  356    HA   TYR  49           HA       TYR  49   8.317  -1.045  -3.318
  357   1HB   TYR  49          2HB       TYR  49   6.800  -2.428  -4.476
  358   2HB   TYR  49          1HB       TYR  49   5.800  -1.093  -3.895
  359    HD1  TYR  49           1HD      TYR  49   5.292   0.802  -5.545
  360    HD2  TYR  49           2HD      TYR  49   6.871  -2.962  -6.747
  361    HE1  TYR  49           1HE      TYR  49   4.551   1.234  -7.848
  362    HE2  TYR  49           2HE      TYR  49   6.141  -2.535  -9.053
  363    HH   TYR  49           HH       TYR  49   5.388  -0.961 -10.483
  364    H    LYS  50           H        LYS  50   9.644  -2.329  -4.699
  365    HA   LYS  50           HA       LYS  50  10.899  -0.727  -6.801
  366   1HB   LYS  50          2HB       LYS  50  12.082  -2.214  -4.919
  367   2HB   LYS  50          1HB       LYS  50  11.903  -3.454  -6.153
  368   1HG   LYS  50          2HG       LYS  50  14.015  -2.588  -6.568
  369   2HG   LYS  50          1HG       LYS  50  13.001  -1.738  -7.733
  370   1HD   LYS  50          2HD       LYS  50  13.179  -0.361  -5.170
  371   2HD   LYS  50          1HD       LYS  50  14.750  -0.574  -5.942
  372   1HE   LYS  50          2HE       LYS  50  13.125   0.225  -8.021
  373   2HE   LYS  50          1HE       LYS  50  12.527   1.170  -6.655
  374   1HZ   LYS  50          1HZ       LYS  50  14.971   1.438  -8.134
  375   2HZ   LYS  50          2HZ       LYS  50  15.240   1.380  -6.463
  376   3HZ   LYS  50          3HZ       LYS  50  14.203   2.552  -7.109
  377    H    LEU  51           H        LEU  51  11.359  -1.658  -8.857
  378    HA   LEU  51           HA       LEU  51   9.567  -2.117 -10.589
  379   1HB   LEU  51          2HB       LEU  51  11.280  -4.237 -11.271
  380   2HB   LEU  51          1HB       LEU  51  11.329  -2.578 -11.840
  381    HG   LEU  51           HG       LEU  51  12.603  -2.306  -9.466
  382   1HD1  LEU  51          1HD1      LEU  51  13.223  -5.080 -10.459
  383   2HD1  LEU  51          2HD1      LEU  51  14.216  -4.184  -9.307
  384   3HD1  LEU  51          3HD1      LEU  51  12.560  -4.626  -8.888
  385   1HD2  LEU  51          1HD2      LEU  51  14.114  -1.508 -10.864
  386   2HD2  LEU  51          2HD2      LEU  51  14.539  -3.139 -11.385
  387   3HD2  LEU  51          3HD2      LEU  51  13.248  -2.260 -12.205
  388    H    GLY  52           H        GLY  52  10.780  -5.041  -8.974
  389   1HA   GLY  52          1HA       GLY  52   8.102  -6.226  -9.350
  390   2HA   GLY  52          2HA       GLY  52   9.554  -7.139  -9.736
  391    H    ARG  53           H        ARG  53   9.529  -4.973  -7.032
  392    HA   ARG  53           HA       ARG  53   9.106  -7.189  -5.157
  393   1HB   ARG  53          2HB       ARG  53  11.421  -5.294  -4.791
  394   2HB   ARG  53          1HB       ARG  53  11.111  -6.806  -3.954
  395   1HG   ARG  53          2HG       ARG  53  11.317  -7.555  -6.603
  396   2HG   ARG  53          1HG       ARG  53  12.544  -6.301  -6.415
  397   1HD   ARG  53          2HD       ARG  53  13.750  -7.523  -4.891
  398   2HD   ARG  53          1HD       ARG  53  12.336  -8.404  -4.320
  399    HE   ARG  53           HE       ARG  53  13.758  -8.953  -6.845
  400   1HH1  ARG  53          2HH1      ARG  53  11.827 -10.013  -4.115
  401   2HH1  ARG  53          1HH1      ARG  53  11.745 -11.666  -4.659
  402   1HH2  ARG  53          2HH2      ARG  53  13.657 -11.121  -7.555
  403   2HH2  ARG  53          1HH2      ARG  53  12.797 -12.301  -6.601
  404    H    LYS  54           H        LYS  54   7.425  -6.491  -4.004
  405    HA   LYS  54           HA       LYS  54   7.076  -3.652  -3.469
  406   1HB   LYS  54          2HB       LYS  54   4.985  -4.467  -2.272
  407   2HB   LYS  54          1HB       LYS  54   5.054  -4.753  -4.005
  408   1HG   LYS  54          2HG       LYS  54   6.001  -7.084  -3.286
  409   2HG   LYS  54          1HG       LYS  54   5.213  -6.701  -1.754
  410   1HD   LYS  54          2HD       LYS  54   3.145  -6.985  -2.606
  411   2HD   LYS  54          1HD       LYS  54   3.567  -6.220  -4.140
  412   1HE   LYS  54          2HE       LYS  54   3.525  -8.258  -5.034
  413   2HE   LYS  54          1HE       LYS  54   5.019  -8.578  -4.150
  414   1HZ   LYS  54          1HZ       LYS  54   3.980  -9.972  -2.783
  415   2HZ   LYS  54          2HZ       LYS  54   2.696  -9.960  -3.892
  416   3HZ   LYS  54          3HZ       LYS  54   2.662  -8.932  -2.545
  417    H    LEU  55           H        LEU  55   8.181  -2.769  -1.845
  418    HA   LEU  55           HA       LEU  55   8.252  -4.122   0.746
  419   1HB   LEU  55          2HB       LEU  55  10.563  -4.231   0.928
  420   2HB   LEU  55          1HB       LEU  55  10.265  -4.740  -0.721
  421    HG   LEU  55           HG       LEU  55  11.080  -1.929   0.007
  422   1HD1  LEU  55          1HD1      LEU  55  13.339  -2.531  -0.572
  423   2HD1  LEU  55          2HD1      LEU  55  12.772  -3.583   0.727
  424   3HD1  LEU  55          3HD1      LEU  55  12.844  -4.186  -0.930
  425   1HD2  LEU  55          1HD2      LEU  55  10.903  -1.478  -2.166
  426   2HD2  LEU  55          2HD2      LEU  55  11.815  -2.923  -2.605
  427   3HD2  LEU  55          3HD2      LEU  55  10.074  -3.025  -2.345
  428    H    CYS  56           H        CYS  56   9.523  -2.621   2.381
  429    HA   CYS  56           HA       CYS  56   8.148  -0.144   2.504
  430   1HB   CYS  56          2HB       CYS  56  10.653  -0.586   4.079
  431   2HB   CYS  56          1HB       CYS  56   9.151   0.182   4.571
  432    H    ARG  57           H        ARG  57   9.084   1.978   2.542
  433    HA   ARG  57           HA       ARG  57  10.860   2.385   0.316
  434   1HB   ARG  57          2HB       ARG  57   9.389   4.130   0.348
  435   2HB   ARG  57          1HB       ARG  57   9.229   4.106   2.096
  436   1HG   ARG  57          2HG       ARG  57  10.283   6.104   1.817
  437   2HG   ARG  57          1HG       ARG  57  11.684   5.053   2.011
  438   1HD   ARG  57          2HD       ARG  57  12.285   5.220  -0.198
  439   2HD   ARG  57          1HD       ARG  57  10.630   5.496  -0.740
  440    HE   ARG  57           HE       ARG  57  11.371   7.707   0.779
  441   1HH1  ARG  57          2HH1      ARG  57  12.329   6.197  -2.255
  442   2HH1  ARG  57          1HH1      ARG  57  12.868   7.686  -2.966
  443   1HH2  ARG  57          2HH2      ARG  57  12.109   9.643  -0.158
  444   2HH2  ARG  57          1HH2      ARG  57  12.751   9.644  -1.773
  445    H    ARG  58           H        ARG  58  11.198   2.235   3.782
  446    HA   ARG  58           HA       ARG  58  13.668   3.654   3.841
  447   1HB   ARG  58          2HB       ARG  58  12.300   1.886   5.856
  448   2HB   ARG  58          1HB       ARG  58  13.850   2.648   6.171
  449   1HG   ARG  58          2HG       ARG  58  11.168   3.756   6.281
  450   2HG   ARG  58          1HG       ARG  58  12.661   4.327   7.020
  451   1HD   ARG  58          2HD       ARG  58  12.469   4.736   4.111
  452   2HD   ARG  58          1HD       ARG  58  11.297   5.633   5.068
  453    HE   ARG  58           HE       ARG  58  13.914   5.885   6.168
  454   1HH1  ARG  58          2HH1      ARG  58  11.885   7.043   3.562
  455   2HH1  ARG  58          1HH1      ARG  58  12.760   8.528   3.361
  456   1HH2  ARG  58          2HH2      ARG  58  15.009   7.872   5.977
  457   2HH2  ARG  58          1HH2      ARG  58  14.511   9.024   4.771
  458    H    ASP  59           H        ASP  59  12.887   0.217   3.589
  459    HA   ASP  59           HA       ASP  59  15.751  -0.403   3.641
  460   1HB   ASP  59          2HB       ASP  59  14.501  -2.787   3.036
  461   2HB   ASP  59          1HB       ASP  59  14.956  -2.260   4.649
  462    H    TYR  60           H        TYR  60  13.181   0.095   1.474
  463    HA   TYR  60           HA       TYR  60  14.491  -0.955  -0.855
  464   1HB   TYR  60          2HB       TYR  60  12.396  -0.633  -1.556
  465   2HB   TYR  60          1HB       TYR  60  12.030   0.413  -0.198
  466    HD1  TYR  60           1HD      TYR  60  12.817   2.923  -0.430
  467    HD2  TYR  60           2HD      TYR  60  12.402   0.179  -3.672
  468    HE1  TYR  60           1HE      TYR  60  12.490   4.792  -1.988
  469    HE2  TYR  60           2HE      TYR  60  12.097   2.055  -5.233
  470    HH   TYR  60           HH       TYR  60  12.807   4.597  -5.221
  471    H    LEU  61           H        LEU  61  14.608   1.873   1.120
  472    HA   LEU  61           HA       LEU  61  15.640   3.747  -0.588
  473   1HB   LEU  61          2HB       LEU  61  14.890   3.820   1.895
  474   2HB   LEU  61          1HB       LEU  61  16.608   3.613   2.217
  475    HG   LEU  61           HG       LEU  61  16.299   5.644   0.254
  476   1HD1  LEU  61          1HD1      LEU  61  13.978   5.613   1.325
  477   2HD1  LEU  61          2HD1      LEU  61  14.780   6.304   2.743
  478   3HD1  LEU  61          3HD1      LEU  61  14.825   7.165   1.202
  479   1HD2  LEU  61          1HD2      LEU  61  17.316   7.013   2.124
  480   2HD2  LEU  61          2HD2      LEU  61  17.244   5.552   3.105
  481   3HD2  LEU  61          3HD2      LEU  61  18.216   5.574   1.628
  482    H    ARG  62           H        ARG  62  17.314   0.988   0.731
  483    HA   ARG  62           HA       ARG  62  19.942   1.998   0.468
  484   1HB   ARG  62          2HB       ARG  62  18.730  -0.547   0.926
  485   2HB   ARG  62          1HB       ARG  62  19.933  -0.728  -0.341
  486   1HG   ARG  62          2HG       ARG  62  20.307   0.146   2.496
  487   2HG   ARG  62          1HG       ARG  62  21.087  -1.172   1.627
  488   1HD   ARG  62          2HD       ARG  62  21.572   1.785   1.310
  489   2HD   ARG  62          1HD       ARG  62  22.692   0.570   1.917
  490    HE   ARG  62           HE       ARG  62  22.157   1.240  -0.826
  491   1HH1  ARG  62          2HH1      ARG  62  23.319  -1.293   1.327
  492   2HH1  ARG  62          1HH1      ARG  62  24.163  -2.144   0.062
  493   1HH2  ARG  62          2HH2      ARG  62  23.276   0.130  -2.459
  494   2HH2  ARG  62          1HH2      ARG  62  24.142  -1.331  -2.083
  495    H    LEU  63           H        LEU  63  17.606   0.955  -1.876
  496    HA   LEU  63           HA       LEU  63  19.509   1.542  -4.027
  497   1HB   LEU  63          2HB       LEU  63  18.529  -0.235  -5.404
  498   2HB   LEU  63          1HB       LEU  63  19.307  -0.865  -3.965
  499    HG   LEU  63           HG       LEU  63  16.371  -0.371  -3.849
  500   1HD1  LEU  63          1HD1      LEU  63  16.829  -3.037  -4.731
  501   2HD1  LEU  63          2HD1      LEU  63  15.836  -1.782  -5.470
  502   3HD1  LEU  63          3HD1      LEU  63  17.539  -1.924  -5.902
  503   1HD2  LEU  63          1HD2      LEU  63  17.937  -2.729  -2.851
  504   2HD2  LEU  63          2HD2      LEU  63  17.882  -1.207  -1.958
  505   3HD2  LEU  63          3HD2      LEU  63  16.393  -2.098  -2.276
  506    H    GLY  64           H        GLY  64  16.993   2.666  -2.513
  507   1HA   GLY  64          1HA       GLY  64  15.649   3.620  -4.952
  508   2HA   GLY  64          2HA       GLY  64  14.719   2.898  -3.650
  509    H    GLY  65           H        GLY  65  17.231   4.566  -2.278
  510   1HA   GLY  65          1HA       GLY  65  15.492   6.591  -1.231
  511   2HA   GLY  65          2HA       GLY  65  17.222   6.469  -0.964
  512    H    SER  66           H        SER  66  15.492   6.832  -3.993
  513    HA   SER  66           HA       SER  66  16.090   8.140  -5.822
  514   1HB   SER  66          2HB       SER  66  15.050  10.302  -4.035
  515   2HB   SER  66          1HB       SER  66  14.647   9.951  -5.718
  516    HG   SER  66           HG       SER  66  13.621   8.008  -4.952
  517    H    GLY  67           H        GLY  67  18.514   7.953  -4.409
  518   1HA   GLY  67          1HA       GLY  67  19.689  10.419  -5.406
  519   2HA   GLY  67          2HA       GLY  67  20.101   9.975  -3.753
  520    H    GLY  68           H        GLY  68  21.983   8.988  -3.614
  521   1HA   GLY  68          1HA       GLY  68  23.672   7.481  -3.964
  522   2HA   GLY  68          2HA       GLY  68  22.479   6.523  -4.826
  523    H    HIS  69           H        HIS  69  22.475   6.480  -7.013
  524    HA   HIS  69           HA       HIS  69  24.880   6.956  -8.357
  525   1HB   HIS  69          2HB       HIS  69  22.400   5.727  -8.923
  526   2HB   HIS  69          1HB       HIS  69  22.675   6.899 -10.205
  527    HD2  HIS  69           2HD      HIS  69  25.496   4.689  -8.594
  528    HE1  HIS  69           1HE      HIS  69  25.078   3.750 -12.700
  529    HE2  HIS  69           2HE      HIS  69  26.562   3.518 -10.655
  530    H    MET  70           H        MET  70  21.817   8.755  -8.434
  531    HA   MET  70           HA       MET  70  22.745  10.727 -10.249
  532   1HB   MET  70          2HB       MET  70  20.390  10.499  -8.415
  533   2HB   MET  70          1HB       MET  70  20.717  12.018  -9.238
  534   1HG   MET  70          2HG       MET  70  20.896   9.967 -11.167
  535   2HG   MET  70          1HG       MET  70  19.434   9.683 -10.226
  536   1HE   MET  70          1HE       MET  70  17.716  11.191 -13.125
  537   2HE   MET  70          2HE       MET  70  18.221   9.759 -12.230
  538   3HE   MET  70          3HE       MET  70  17.081  10.898 -11.508
  539    H    GLY  71           H        GLY  71  23.069  10.361  -6.820
  540   1HA   GLY  71          1HA       GLY  71  25.061  11.799  -6.106
  541   2HA   GLY  71          2HA       GLY  71  24.040  13.139  -6.607
  542    H    SER  72           H        SER  72  23.676  14.154  -4.714
  543    HA   SER  72           HA       SER  72  23.023  12.682  -2.322
  544   1HB   SER  72          2HB       SER  72  22.930  15.662  -2.864
  545   2HB   SER  72          1HB       SER  72  22.822  14.895  -1.279
  546    HG   SER  72           HG       SER  72  24.920  14.522  -1.285
  547    H    GLY  73           H        GLY  73  21.094  11.878  -1.955
  548   1HA   GLY  73          1HA       GLY  73  18.753  13.093  -3.283
  549   2HA   GLY  73          2HA       GLY  73  18.825  11.462  -2.622
  550    H    GLY  74           H        GLY  74  20.230  12.535  -0.230
  551   1HA   GLY  74          1HA       GLY  74  18.606  14.390   1.137
  552   2HA   GLY  74          2HA       GLY  74  18.061  12.756   1.502
  553    H    ASP  75           H        ASP  75  20.635  15.074   1.833
  554    HA   ASP  75           HA       ASP  75  22.381  13.234   3.220
  555   1HB   ASP  75          2HB       ASP  75  23.154  15.174   1.770
  556   2HB   ASP  75          1HB       ASP  75  22.644  16.239   3.075
  557    H    VAL  76           H        VAL  76  21.376  12.545   5.050
  558    HA   VAL  76           HA       VAL  76  20.976  14.555   7.151
  559    HB   VAL  76           HB       VAL  76  19.168  12.461   7.671
  560   1HG1  VAL  76          1HG1      VAL  76  17.636  14.159   7.957
  561   2HG1  VAL  76          2HG1      VAL  76  19.163  15.024   8.129
  562   3HG1  VAL  76          3HG1      VAL  76  18.272  15.101   6.607
  563   1HG2  VAL  76          1HG2      VAL  76  18.918  11.708   5.503
  564   2HG2  VAL  76          2HG2      VAL  76  17.627  12.901   5.636
  565   3HG2  VAL  76          3HG2      VAL  76  19.129  13.315   4.811
  566    H    MET  77           H        MET  77  21.090  13.665   9.321
  567    HA   MET  77           HA       MET  77  23.174  11.730   9.559
  568   1HB   MET  77          2HB       MET  77  21.504  12.983  11.736
  569   2HB   MET  77          1HB       MET  77  23.053  12.170  11.936
  570   1HG   MET  77          2HG       MET  77  24.063  13.898  10.469
  571   2HG   MET  77          1HG       MET  77  22.524  14.740  10.494
  572   1HE   MET  77          1HE       MET  77  23.166  17.222  12.336
  573   2HE   MET  77          2HE       MET  77  21.837  16.213  11.768
  574   3HE   MET  77          3HE       MET  77  22.083  16.455  13.498
  575    H    VAL  78           H        VAL  78  23.051   9.632  10.004
  576    HA   VAL  78           HA       VAL  78  22.215   7.543  10.297
  577    HB   VAL  78           HB       VAL  78  20.233   8.813  12.185
  578   1HG1  VAL  78          1HG1      VAL  78  21.110   6.078  11.597
  579   2HG1  VAL  78          2HG1      VAL  78  21.079   6.487  13.313
  580   3HG1  VAL  78          3HG1      VAL  78  19.620   6.660  12.338
  581   1HG2  VAL  78          1HG2      VAL  78  23.126   8.108  12.653
  582   2HG2  VAL  78          2HG2      VAL  78  22.387   9.702  12.763
  583   3HG2  VAL  78          3HG2      VAL  78  21.969   8.455  13.936
  584    H    VAL  79           H        VAL  79  21.399   7.375   8.150
  585    HA   VAL  79           HA       VAL  79  18.475   7.683   7.921
  586    HB   VAL  79           HB       VAL  79  20.050   6.923   5.525
  587   1HG1  VAL  79          1HG1      VAL  79  17.580   7.297   5.559
  588   2HG1  VAL  79          2HG1      VAL  79  17.896   9.000   5.900
  589   3HG1  VAL  79          3HG1      VAL  79  18.450   8.285   4.385
  590   1HG2  VAL  79          1HG2      VAL  79  21.317   8.748   5.317
  591   2HG2  VAL  79          2HG2      VAL  79  20.023   9.812   5.872
  592   3HG2  VAL  79          3HG2      VAL  79  21.051   8.988   7.044
  593    H    GLY  80           H        GLY  80  21.003   5.440   8.270
  594   1HA   GLY  80          1HA       GLY  80  20.228   3.173   8.961
  595   2HA   GLY  80          2HA       GLY  80  19.187   3.225   7.543
  596    H    GLU  81           H        GLU  81  22.138   2.235   8.745
  597    HA   GLU  81           HA       GLU  81  23.903   1.122   7.832
  598   1HB   GLU  81          2HB       GLU  81  22.150   1.323   5.411
  599   2HB   GLU  81          1HB       GLU  81  23.821   0.810   5.227
  600   1HG   GLU  81          2HG       GLU  81  22.024  -0.521   7.212
  601   2HG   GLU  81          1HG       GLU  81  21.986  -0.970   5.508
  602    HA   PRO  82           HA       PRO  82  26.785   4.263   6.887
  603   1HB   PRO  82          2HB       PRO  82  28.297   2.970   4.884
  604   2HB   PRO  82          1HB       PRO  82  28.637   3.039   6.611
  605   1HG   PRO  82          2HG       PRO  82  27.409   0.879   5.008
  606   2HG   PRO  82          1HG       PRO  82  28.318   0.772   6.525
  607   1HD   PRO  82          2HD       PRO  82  25.633   0.436   6.385
  608   2HD   PRO  82          1HD       PRO  82  26.442   1.113   7.813
  609    H    THR  83           H        THR  83  27.053   5.935   5.554
  610    HA   THR  83           HA       THR  83  25.347   5.930   3.180
  611    HB   THR  83           HB       THR  83  26.085   8.546   3.599
  612    HG1  THR  83           1HG      THR  83  26.919   8.547   5.559
  613   1HG2  THR  83          1HG2      THR  83  23.864   8.861   3.984
  614   2HG2  THR  83          2HG2      THR  83  23.776   7.557   5.169
  615   3HG2  THR  83          3HG2      THR  83  23.783   7.184   3.445
  616    H    LEU  84           H        LEU  84  26.017   6.631   1.193
  617    HA   LEU  84           HA       LEU  84  28.867   6.600   0.648
  618   1HB   LEU  84          2HB       LEU  84  26.460   6.930  -1.148
  619   2HB   LEU  84          1HB       LEU  84  28.118   6.933  -1.718
  620    HG   LEU  84           HG       LEU  84  27.224   4.588  -0.129
  621   1HD1  LEU  84          1HD1      LEU  84  26.406   3.570  -2.294
  622   2HD1  LEU  84          2HD1      LEU  84  25.340   4.745  -1.519
  623   3HD1  LEU  84          3HD1      LEU  84  26.308   5.218  -2.916
  624   1HD2  LEU  84          1HD2      LEU  84  29.226   3.925  -0.827
  625   2HD2  LEU  84          2HD2      LEU  84  28.579   3.862  -2.464
  626   3HD2  LEU  84          3HD2      LEU  84  29.377   5.325  -1.889
  627    H    MET  85           H        MET  85  29.315   8.444  -1.226
  628    HA   MET  85           HA       MET  85  29.649  10.824   0.181
  629   1HB   MET  85          2HB       MET  85  30.938  10.236  -1.820
  630   2HB   MET  85          1HB       MET  85  29.499  10.421  -2.812
  631   1HG   MET  85          2HG       MET  85  29.424  12.818  -2.050
  632   2HG   MET  85          1HG       MET  85  31.025  12.556  -1.359
  633   1HE   MET  85          1HE       MET  85  29.082  12.794  -5.002
  634   2HE   MET  85          2HE       MET  85  30.224  11.695  -5.773
  635   3HE   MET  85          3HE       MET  85  29.284  11.157  -4.382
  636    H    GLY  86           H        GLY  86  27.082   9.832  -2.009
  637   1HA   GLY  86          1HA       GLY  86  25.556  12.254  -1.354
  638   2HA   GLY  86          2HA       GLY  86  25.128  11.076  -2.589
  639    H    GLY  87           H        GLY  87  23.870  12.193   0.049
  640   1HA   GLY  87          1HA       GLY  87  23.447   9.715   1.528
  641   2HA   GLY  87          2HA       GLY  87  22.769  11.299   1.921
  642    H    GLU  88           H        GLU  88  21.437   8.669   1.680
  643    HA   GLU  88           HA       GLU  88  19.593   7.696   0.907
  644   1HB   GLU  88          2HB       GLU  88  19.170  10.581   0.384
  645   2HB   GLU  88          1HB       GLU  88  18.037   9.429  -0.277
  646   1HG   GLU  88          2HG       GLU  88  17.922   8.489   2.108
  647   2HG   GLU  88          1HG       GLU  88  18.650  10.021   2.575
  648    H    PHE  89           H        PHE  89  19.888   6.252  -0.636
  649    HA   PHE  89           HA       PHE  89  20.749   7.188  -3.289
  650   1HB   PHE  89          2HB       PHE  89  21.405   4.470  -2.765
  651   2HB   PHE  89          1HB       PHE  89  22.452   5.824  -3.165
  652    HD1  PHE  89           1HD      PHE  89  20.744   4.152  -0.299
  653    HD2  PHE  89           2HD      PHE  89  23.784   6.835  -1.578
  654    HE1  PHE  89           1HE      PHE  89  21.659   4.193   1.985
  655    HE2  PHE  89           2HE      PHE  89  24.705   6.893   0.711
  656    HZ   PHE  89           HZ       PHE  89  23.639   5.567   2.494
  657    H    GLY  90           H        GLY  90  19.754   6.447  -5.044
  658   1HA   GLY  90          1HA       GLY  90  18.763   4.002  -5.428
  659   2HA   GLY  90          2HA       GLY  90  17.374   4.841  -4.770
  660    H    ASP  91           H        ASP  91  16.235   6.171  -5.967
  661    HA   ASP  91           HA       ASP  91  16.782   6.042  -8.831
  662   1HB   ASP  91          2HB       ASP  91  14.124   6.241  -8.762
  663   2HB   ASP  91          1HB       ASP  91  14.938   4.709  -8.521
  664    H    GLU  92           H        GLU  92  13.998   7.718  -8.074
  665    HA   GLU  92           HA       GLU  92  15.057  10.336  -7.742
  666   1HB   GLU  92          2HB       GLU  92  13.778  10.899 -10.096
  667   2HB   GLU  92          1HB       GLU  92  15.519  10.771  -9.908
  668   1HG   GLU  92          2HG       GLU  92  15.228   9.402 -11.692
  669   2HG   GLU  92          1HG       GLU  92  15.038   8.225 -10.394
  670    H    ASP  93           H        ASP  93  12.283   8.671  -9.251
  671    HA   ASP  93           HA       ASP  93  10.513   9.982  -7.295
  672   1HB   ASP  93          2HB       ASP  93  10.430  11.235  -9.444
  673   2HB   ASP  93          1HB       ASP  93   9.922   9.756 -10.256
  674    H    GLU  94           H        GLU  94  11.001   7.437  -9.670
  675    HA   GLU  94           HA       GLU  94  10.269   5.295  -9.827
  676   1HB   GLU  94          2HB       GLU  94  10.978   5.797  -7.141
  677   2HB   GLU  94          1HB       GLU  94   9.530   4.803  -7.097
  678   1HG   GLU  94          2HG       GLU  94  12.259   4.111  -7.843
  679   2HG   GLU  94          1HG       GLU  94  10.945   3.092  -7.261
  680    H    ARG  95           H        ARG  95   8.405   3.997  -7.972
  681    HA   ARG  95           HA       ARG  95   5.869   5.248  -8.772
  682   1HB   ARG  95          2HB       ARG  95   6.820   3.059 -10.028
  683   2HB   ARG  95          1HB       ARG  95   6.011   2.282  -8.674
  684   1HG   ARG  95          2HG       ARG  95   3.962   2.741  -9.467
  685   2HG   ARG  95          1HG       ARG  95   4.432   4.333 -10.069
  686   1HD   ARG  95          2HD       ARG  95   4.495   3.492 -12.123
  687   2HD   ARG  95          1HD       ARG  95   5.829   2.455 -11.623
  688    HE   ARG  95           HE       ARG  95   4.033   0.834 -10.934
  689   1HH1  ARG  95          2HH1      ARG  95   3.549   3.173 -13.503
  690   2HH1  ARG  95          1HH1      ARG  95   2.393   2.194 -14.358
  691   1HH2  ARG  95          2HH2      ARG  95   2.490  -0.443 -12.035
  692   2HH2  ARG  95          1HH2      ARG  95   1.761   0.155 -13.499
  693    H    LEU  96           H        LEU  96   4.482   5.469  -7.116
  694    HA   LEU  96           HA       LEU  96   5.171   4.057  -4.624
  695   1HB   LEU  96          2HB       LEU  96   3.653   6.227  -3.870
  696   2HB   LEU  96          1HB       LEU  96   5.398   6.099  -3.775
  697    HG   LEU  96           HG       LEU  96   4.485   6.964  -6.404
  698   1HD1  LEU  96          1HD1      LEU  96   2.902   8.391  -5.768
  699   2HD1  LEU  96          2HD1      LEU  96   3.276   8.170  -4.059
  700   3HD1  LEU  96          3HD1      LEU  96   4.192   9.330  -5.019
  701   1HD2  LEU  96          1HD2      LEU  96   6.101   8.841  -4.974
  702   2HD2  LEU  96          2HD2      LEU  96   6.719   7.210  -4.713
  703   3HD2  LEU  96          3HD2      LEU  96   6.525   7.826  -6.354
  704    H    ILE  97           H        ILE  97   3.682   2.964  -3.539
  705    HA   ILE  97           HA       ILE  97   1.022   2.662  -4.699
  706    HB   ILE  97           HB       ILE  97   1.753   1.289  -2.162
  707   1HG1  ILE  97          2HG1      ILE  97   2.753   0.215  -4.796
  708   2HG1  ILE  97          1HG1      ILE  97   3.770   1.198  -3.746
  709   1HG2  ILE  97          1HG2      ILE  97   0.539  -0.574  -3.246
  710   2HG2  ILE  97          2HG2      ILE  97  -0.422   0.900  -3.104
  711   3HG2  ILE  97          3HG2      ILE  97   0.290   0.456  -4.656
  712   1HD1  ILE  97          1HD1      ILE  97   2.428  -1.322  -2.819
  713   2HD1  ILE  97          2HD1      ILE  97   4.042  -1.287  -3.535
  714   3HD1  ILE  97          3HD1      ILE  97   3.726  -0.420  -2.033
  715    H    THR  98           H        THR  98  -0.880   2.956  -3.430
  716    HA   THR  98           HA       THR  98  -0.650   4.488  -0.980
  717    HB   THR  98           HB       THR  98  -0.598   6.094  -2.975
  718    HG1  THR  98           1HG      THR  98  -1.506   6.410  -0.641
  719   1HG2  THR  98          1HG2      THR  98  -2.479   4.745  -4.131
  720   2HG2  THR  98          2HG2      THR  98  -2.504   6.506  -4.234
  721   3HG2  THR  98          3HG2      THR  98  -3.559   5.674  -3.091
  722    H    ARG  99           H        ARG  99  -2.747   4.780   0.068
  723    HA   ARG  99           HA       ARG  99  -4.378   2.415  -0.245
  724   1HB   ARG  99          2HB       ARG  99  -4.864   4.728   1.627
  725   2HB   ARG  99          1HB       ARG  99  -5.455   3.081   1.778
  726   1HG   ARG  99          2HG       ARG  99  -2.518   3.502   1.744
  727   2HG   ARG  99          1HG       ARG  99  -3.412   3.973   3.191
  728   1HD   ARG  99          2HD       ARG  99  -3.774   1.276   1.935
  729   2HD   ARG  99          1HD       ARG  99  -2.460   1.590   3.065
  730    HE   ARG  99           HE       ARG  99  -5.214   1.188   3.705
  731   1HH1  ARG  99          2HH1      ARG  99  -2.298   2.826   4.754
  732   2HH1  ARG  99          1HH1      ARG  99  -2.853   3.016   6.392
  733   1HH2  ARG  99          2HH2      ARG  99  -5.907   1.370   5.834
  734   2HH2  ARG  99          1HH2      ARG  99  -4.905   2.162   7.014
  735    H    LEU 100           H        LEU 100  -6.336   2.315  -1.168
  736    HA   LEU 100           HA       LEU 100  -7.518   4.841  -2.110
  737   1HB   LEU 100          2HB       LEU 100  -6.426   2.946  -3.723
  738   2HB   LEU 100          1HB       LEU 100  -8.095   2.412  -3.666
  739    HG   LEU 100           HG       LEU 100  -8.792   4.079  -5.009
  740   1HD1  LEU 100          1HD1      LEU 100  -6.814   5.952  -3.712
  741   2HD1  LEU 100          2HD1      LEU 100  -8.080   6.404  -4.854
  742   3HD1  LEU 100          3HD1      LEU 100  -8.512   5.773  -3.264
  743   1HD2  LEU 100          1HD2      LEU 100  -7.068   3.314  -6.391
  744   2HD2  LEU 100          2HD2      LEU 100  -6.910   5.071  -6.419
  745   3HD2  LEU 100          3HD2      LEU 100  -5.822   4.103  -5.422
  746    H    GLU 101           H        GLU 101  -9.855   4.244  -2.948
  747    HA   GLU 101           HA       GLU 101 -11.155   2.744  -0.779
  748   1HB   GLU 101          2HB       GLU 101 -13.098   4.466  -1.633
  749   2HB   GLU 101          1HB       GLU 101 -12.074   4.707  -0.226
  750   1HG   GLU 101          2HG       GLU 101 -10.858   6.330  -1.209
  751   2HG   GLU 101          1HG       GLU 101 -11.006   5.621  -2.818
  752    H    ASN 102           H        ASN 102 -12.717   1.352  -1.262
  753    HA   ASN 102           HA       ASN 102 -13.396   0.962  -4.107
  754   1HB   ASN 102          2HB       ASN 102 -12.166  -0.943  -3.095
  755   2HB   ASN 102          1HB       ASN 102 -13.406  -1.068  -1.848
  756   1HD2  ASN 102          1HD2      ASN 102 -14.251  -3.000  -2.268
  757   2HD2  ASN 102          2HD2      ASN 102 -14.983  -3.456  -3.777
  758    H    THR 103           H        THR 103 -15.693  -0.213  -4.193
  759    HA   THR 103           HA       THR 103 -17.430   1.211  -2.343
  760    HB   THR 103           HB       THR 103 -19.037   0.443  -4.414
  761    HG1  THR 103           1HG      THR 103 -17.899   1.509  -6.232
  762   1HG2  THR 103          1HG2      THR 103 -18.678   2.592  -2.932
  763   2HG2  THR 103          2HG2      THR 103 -19.576   2.660  -4.451
  764   3HG2  THR 103          3HG2      THR 103 -17.891   3.179  -4.398
  765    H    GLN 104           H        GLN 104 -17.945  -0.054  -0.963
  766    HA   GLN 104           HA       GLN 104 -19.324  -2.562  -1.571
  767   1HB   GLN 104          2HB       GLN 104 -18.148  -3.879  -0.083
  768   2HB   GLN 104          1HB       GLN 104 -16.861  -2.842  -0.679
  769   1HG   GLN 104          2HG       GLN 104 -16.543  -1.876   1.315
  770   2HG   GLN 104          1HG       GLN 104 -18.267  -1.793   1.666
  771   1HE2  GLN 104          1HE2      GLN 104 -19.144  -4.262   1.814
  772   2HE2  GLN 104          2HE2      GLN 104 -18.264  -5.207   2.976
  773    H    PHE 105           H        PHE 105 -19.196   0.388  -0.031
  774    HA   PHE 105           HA       PHE 105 -21.349  -0.351   1.796
  775   1HB   PHE 105          2HB       PHE 105 -18.850   1.146   2.241
  776   2HB   PHE 105          1HB       PHE 105 -20.296   1.891   2.913
  777    HD1  PHE 105           1HD      PHE 105 -21.844  -0.554   3.558
  778    HD2  PHE 105           2HD      PHE 105 -17.735   0.390   4.171
  779    HE1  PHE 105           1HE      PHE 105 -21.770  -2.123   5.461
  780    HE2  PHE 105           2HE      PHE 105 -17.653  -1.176   6.068
  781    HZ   PHE 105           HZ       PHE 105 -19.670  -2.436   6.715
  782    H    ASP 106           H        ASP 106 -22.888   0.154   0.359
  783    HA   ASP 106           HA       ASP 106 -22.983   2.574  -1.157
  784   1HB   ASP 106          2HB       ASP 106 -24.367   0.141  -1.120
  785   2HB   ASP 106          1HB       ASP 106 -25.576   1.350  -0.714
  786    H    ALA 107           H        ALA 107 -24.388   1.414   1.800
  787    HA   ALA 107           HA       ALA 107 -25.394   2.414   3.571
  788   1HB   ALA 107          1HB       ALA 107 -24.301   4.229   4.220
  789   2HB   ALA 107          2HB       ALA 107 -23.655   4.433   2.593
  790   3HB   ALA 107          3HB       ALA 107 -25.182   5.192   3.036
  791    H    ALA 108           H        ALA 108 -27.051   1.483   1.878
  792    HA   ALA 108           HA       ALA 108 -28.712   3.303   0.493
  793   1HB   ALA 108          1HB       ALA 108 -30.102   0.884   1.227
  794   2HB   ALA 108          2HB       ALA 108 -29.563   1.436  -0.359
  795   3HB   ALA 108          3HB       ALA 108 -28.464   0.532   0.680
  796    H    ASN 109           H        ASN 109 -29.105   1.656   3.614
  797    HA   ASN 109           HA       ASN 109 -31.236   3.589   4.253
  798   1HB   ASN 109          2HB       ASN 109 -31.781   1.032   4.092
  799   2HB   ASN 109          1HB       ASN 109 -30.994   0.953   5.666
  800   1HD2  ASN 109          1HD2      ASN 109 -33.085   0.238   6.422
  801   2HD2  ASN 109          2HD2      ASN 109 -34.299   1.418   6.800
  802    H    GLY 110           H        GLY 110 -28.546   4.211   4.608
  803   1HA   GLY 110          1HA       GLY 110 -27.704   5.527   6.430
  804   2HA   GLY 110          2HA       GLY 110 -28.452   4.391   7.542
  805    H    ILE 111           H        ILE 111 -26.406   4.281   8.612
  806    HA   ILE 111           HA       ILE 111 -24.090   3.271   7.272
  807    HB   ILE 111           HB       ILE 111 -24.437   3.029  10.235
  808   1HG1  ILE 111          2HG1      ILE 111 -23.378   5.618   9.469
  809   2HG1  ILE 111          1HG1      ILE 111 -25.024   5.413   8.878
  810   1HG2  ILE 111          1HG2      ILE 111 -22.053   3.767  10.169
  811   2HG2  ILE 111          2HG2      ILE 111 -22.366   2.244   9.339
  812   3HG2  ILE 111          3HG2      ILE 111 -22.146   3.726   8.409
  813   1HD1  ILE 111          1HD1      ILE 111 -25.314   4.538  11.401
  814   2HD1  ILE 111          2HD1      ILE 111 -24.015   5.712  11.618
  815   3HD1  ILE 111          3HD1      ILE 111 -25.547   6.215  10.905
  816    H    ASP 112           H        ASP 112 -26.893   1.886   8.660
  817    HA   ASP 112           HA       ASP 112 -25.741  -0.787   8.860
  818   1HB   ASP 112          2HB       ASP 112 -27.544   0.051  10.453
  819   2HB   ASP 112          1HB       ASP 112 -28.660  -0.038   9.093
  820    H    ASP 113           H        ASP 113 -25.110  -0.377   6.557
  821    HA   ASP 113           HA       ASP 113 -27.021  -0.251   4.504
  822   1HB   ASP 113          2HB       ASP 113 -24.523   0.310   4.410
  823   2HB   ASP 113          1HB       ASP 113 -24.263  -1.417   4.178
  824    H    GLU 114           H        GLU 114 -27.363  -1.859   2.818
  825    HA   GLU 114           HA       GLU 114 -27.776  -4.524   3.970
  826   1HB   GLU 114          2HB       GLU 114 -29.663  -3.216   2.865
  827   2HB   GLU 114          1HB       GLU 114 -28.828  -3.483   1.340
  828   1HG   GLU 114          2HG       GLU 114 -29.177  -5.939   2.835
  829   2HG   GLU 114          1HG       GLU 114 -30.709  -5.131   2.509
  Start of MODEL   20
    1   1H    GLY   1          1H        GLY   1 -20.029  -6.607 -10.274
    2   2H    GLY   1          2H        GLY   1 -21.573  -7.212  -9.912
    3   3H    GLY   1          3H        GLY   1 -20.866  -7.536 -11.419
    4   1HA   GLY   1          2HA       GLY   1 -20.797  -9.441  -9.863
    5   2HA   GLY   1          1HA       GLY   1 -19.226  -8.931 -10.467
    6    H    SER   2           H        SER   2 -17.720  -8.955  -8.967
    7    HA   SER   2           HA       SER   2 -18.406  -8.831  -6.159
    8   1HB   SER   2          2HB       SER   2 -15.560  -8.830  -6.770
    9   2HB   SER   2          1HB       SER   2 -16.520 -10.035  -5.908
   10    HG   SER   2           HG       SER   2 -15.508 -10.734  -7.945
   11    H    LEU   3           H        LEU   3 -17.103  -7.410  -4.688
   12    HA   LEU   3           HA       LEU   3 -17.418  -4.703  -5.451
   13   1HB   LEU   3          2HB       LEU   3 -15.844  -5.827  -3.135
   14   2HB   LEU   3          1HB       LEU   3 -16.381  -4.166  -3.303
   15    HG   LEU   3           HG       LEU   3 -18.462  -6.289  -3.366
   16   1HD1  LEU   3          1HD1      LEU   3 -16.680  -6.622  -1.442
   17   2HD1  LEU   3          2HD1      LEU   3 -17.607  -5.319  -0.699
   18   3HD1  LEU   3          3HD1      LEU   3 -18.409  -6.820  -1.155
   19   1HD2  LEU   3          1HD2      LEU   3 -18.999  -4.094  -1.640
   20   2HD2  LEU   3          2HD2      LEU   3 -18.337  -3.469  -3.150
   21   3HD2  LEU   3          3HD2      LEU   3 -19.764  -4.505  -3.176
   22    H    LEU   4           H        LEU   4 -14.385  -6.012  -4.200
   23    HA   LEU   4           HA       LEU   4 -12.973  -4.806  -6.477
   24   1HB   LEU   4          2HB       LEU   4 -11.889  -4.806  -3.668
   25   2HB   LEU   4          1HB       LEU   4 -11.268  -3.946  -5.066
   26    HG   LEU   4           HG       LEU   4 -13.951  -3.077  -4.563
   27   1HD1  LEU   4          1HD1      LEU   4 -14.126  -2.889  -2.364
   28   2HD1  LEU   4          2HD1      LEU   4 -12.649  -3.839  -2.196
   29   3HD1  LEU   4          3HD1      LEU   4 -12.563  -2.080  -2.270
   30   1HD2  LEU   4          1HD2      LEU   4 -11.938  -1.159  -3.868
   31   2HD2  LEU   4          2HD2      LEU   4 -11.447  -2.048  -5.310
   32   3HD2  LEU   4          3HD2      LEU   4 -12.996  -1.204  -5.278
   33    H    THR   5           H        THR   5 -10.755  -5.754  -6.738
   34    HA   THR   5           HA       THR   5 -10.503  -8.417  -5.542
   35    HB   THR   5           HB       THR   5  -9.510  -8.907  -8.037
   36    HG1  THR   5           1HG      THR   5 -11.371  -6.881  -8.248
   37   1HG2  THR   5          1HG2      THR   5 -11.756 -10.110  -8.345
   38   2HG2  THR   5          2HG2      THR   5 -12.170  -9.452  -6.763
   39   3HG2  THR   5          3HG2      THR   5 -10.783 -10.529  -6.935
   40    H    CYS   6           H        CYS   6  -8.559  -8.839  -4.848
   41    HA   CYS   6           HA       CYS   6  -6.483  -6.880  -5.210
   42   1HB   CYS   6          2HB       CYS   6  -6.364  -7.427  -3.026
   43   2HB   CYS   6          1HB       CYS   6  -7.187  -8.963  -3.272
   44    H    GLY   7           H        GLY   7  -4.613  -7.155  -6.288
   45   1HA   GLY   7          1HA       GLY   7  -4.554  -9.335  -8.191
   46   2HA   GLY   7          2HA       GLY   7  -3.469  -7.953  -8.149
   47    H    GLY   8           H        GLY   8  -3.601  -9.252  -5.091
   48   1HA   GLY   8          1HA       GLY   8  -0.998 -10.528  -5.527
   49   2HA   GLY   8          2HA       GLY   8  -1.650 -10.002  -3.982
   50    H    CYS   9           H        CYS   9  -4.183 -11.252  -4.194
   51    HA   CYS   9           HA       CYS   9  -3.399 -14.088  -4.191
   52   1HB   CYS   9          2HB       CYS   9  -4.662 -14.472  -2.196
   53   2HB   CYS   9          1HB       CYS   9  -3.598 -13.100  -1.900
   54    H    GLN  10           H        GLN  10  -5.650 -11.712  -5.155
   55    HA   GLN  10           HA       GLN  10  -7.477 -11.737  -6.486
   56   1HB   GLN  10          2HB       GLN  10  -5.886 -13.991  -7.288
   57   2HB   GLN  10          1HB       GLN  10  -7.592 -14.361  -7.498
   58   1HG   GLN  10          2HG       GLN  10  -6.581 -11.746  -8.477
   59   2HG   GLN  10          1HG       GLN  10  -6.189 -13.200  -9.393
   60   1HE2  GLN  10          1HE2      GLN  10  -8.194 -10.732  -9.404
   61   2HE2  GLN  10          2HE2      GLN  10  -9.629 -11.472 -10.051
   62    H    GLN  11           H        GLN  11  -7.714 -12.690  -3.661
   63    HA   GLN  11           HA       GLN  11  -9.829 -14.672  -3.798
   64   1HB   GLN  11          2HB       GLN  11  -9.614 -14.899  -1.484
   65   2HB   GLN  11          1HB       GLN  11  -7.978 -14.528  -2.006
   66   1HG   GLN  11          2HG       GLN  11  -7.903 -12.701  -0.752
   67   2HG   GLN  11          1HG       GLN  11  -9.446 -12.125  -1.380
   68   1HE2  GLN  11          1HE2      GLN  11 -10.941 -11.849   0.085
   69   2HE2  GLN  11          2HE2      GLN  11 -11.088 -12.716   1.579
   70    H    ASN  12           H        ASN  12  -9.846 -11.504  -4.397
   71    HA   ASN  12           HA       ASN  12 -11.482  -9.945  -4.595
   72   1HB   ASN  12          2HB       ASN  12 -13.306 -11.185  -5.151
   73   2HB   ASN  12          1HB       ASN  12 -13.060 -12.330  -3.841
   74   1HD2  ASN  12          1HD2      ASN  12 -14.747 -12.399  -2.566
   75   2HD2  ASN  12          2HD2      ASN  12 -15.707 -11.040  -2.060
   76    H    ILE  13           H        ILE  13 -11.771  -8.165  -3.422
   77    HA   ILE  13           HA       ILE  13 -11.291  -8.373  -0.538
   78    HB   ILE  13           HB       ILE  13 -11.301  -5.731  -1.894
   79   1HG1  ILE  13          2HG1      ILE  13  -8.749  -7.247  -1.964
   80   2HG1  ILE  13          1HG1      ILE  13  -9.956  -7.649  -3.183
   81   1HG2  ILE  13          1HG2      ILE  13 -10.442  -6.843   0.587
   82   2HG2  ILE  13          2HG2      ILE  13  -9.045  -6.146  -0.240
   83   3HG2  ILE  13          3HG2      ILE  13 -10.472  -5.154   0.079
   84   1HD1  ILE  13          1HD1      ILE  13  -9.718  -5.680  -4.261
   85   2HD1  ILE  13          2HD1      ILE  13  -9.363  -4.783  -2.783
   86   3HD1  ILE  13          3HD1      ILE  13  -8.110  -5.771  -3.535
   87    H    GLY  14           H        GLY  14 -13.161  -8.558   0.532
   88   1HA   GLY  14          1HA       GLY  14 -15.560  -7.168  -0.367
   89   2HA   GLY  14          2HA       GLY  14 -15.442  -8.282   0.992
   90    H    ASP  15           H        ASP  15 -12.931  -6.417   1.445
   91    HA   ASP  15           HA       ASP  15 -14.430  -4.440   3.016
   92   1HB   ASP  15          2HB       ASP  15 -11.589  -4.824   3.670
   93   2HB   ASP  15          1HB       ASP  15 -12.978  -4.667   4.740
   94    H    ARG  16           H        ARG  16 -13.813  -2.326   2.877
   95    HA   ARG  16           HA       ARG  16 -11.952  -1.720   0.698
   96   1HB   ARG  16          2HB       ARG  16 -13.162   0.683   1.277
   97   2HB   ARG  16          1HB       ARG  16 -13.559  -0.379  -0.057
   98   1HG   ARG  16          2HG       ARG  16 -15.494  -1.068   0.888
   99   2HG   ARG  16          1HG       ARG  16 -14.863  -0.948   2.531
  100   1HD   ARG  16          2HD       ARG  16 -15.864   1.002   2.774
  101   2HD   ARG  16          1HD       ARG  16 -14.904   1.658   1.451
  102    HE   ARG  16           HE       ARG  16 -16.718   0.788  -0.053
  103   1HH1  ARG  16          2HH1      ARG  16 -17.377   1.513   3.310
  104   2HH1  ARG  16          1HH1      ARG  16 -19.066   1.845   3.045
  105   1HH2  ARG  16          2HH2      ARG  16 -18.915   1.297  -0.435
  106   2HH2  ARG  16          1HH2      ARG  16 -19.936   1.769   0.900
  107    H    TYR  17           H        TYR  17 -11.255  -2.428   3.444
  108    HA   TYR  17           HA       TYR  17  -9.674  -0.005   3.979
  109   1HB   TYR  17          2HB       TYR  17 -11.073  -1.419   5.912
  110   2HB   TYR  17          1HB       TYR  17  -9.432  -2.063   6.042
  111    HD1  TYR  17           1HD      TYR  17 -10.596   1.256   5.064
  112    HD2  TYR  17           2HD      TYR  17  -8.481  -0.984   7.976
  113    HE1  TYR  17           1HE      TYR  17 -10.039   3.337   6.219
  114    HE2  TYR  17           2HE      TYR  17  -7.892   1.101   9.159
  115    HH   TYR  17           HH       TYR  17  -8.955   4.281   7.898
  116    H    PHE  18           H        PHE  18  -8.234  -0.382   2.442
  117    HA   PHE  18           HA       PHE  18  -6.340  -2.553   2.728
  118   1HB   PHE  18          2HB       PHE  18  -6.859  -3.620   0.607
  119   2HB   PHE  18          1HB       PHE  18  -8.278  -3.639   1.640
  120    HD1  PHE  18           1HD      PHE  18  -9.690  -1.213   1.278
  121    HD2  PHE  18           2HD      PHE  18  -7.365  -3.370  -1.585
  122    HE1  PHE  18           1HE      PHE  18 -10.987  -0.215  -0.560
  123    HE2  PHE  18           2HE      PHE  18  -8.674  -2.370  -3.404
  124    HZ   PHE  18           HZ       PHE  18 -10.485  -0.791  -2.894
  125    H    LEU  19           H        LEU  19  -5.276  -2.586   0.188
  126    HA   LEU  19           HA       LEU  19  -4.390   0.195  -0.157
  127   1HB   LEU  19          2HB       LEU  19  -2.856  -2.397  -0.145
  128   2HB   LEU  19          1HB       LEU  19  -2.199  -0.928  -0.828
  129    HG   LEU  19           HG       LEU  19  -3.170  -0.973   1.998
  130   1HD1  LEU  19          1HD1      LEU  19  -0.597  -2.056   0.918
  131   2HD1  LEU  19          2HD1      LEU  19  -0.701  -1.383   2.545
  132   3HD1  LEU  19          3HD1      LEU  19  -1.695  -2.770   2.099
  133   1HD2  LEU  19          1HD2      LEU  19  -2.254   1.020   0.374
  134   2HD2  LEU  19          2HD2      LEU  19  -2.226   1.043   2.141
  135   3HD2  LEU  19          3HD2      LEU  19  -0.793   0.540   1.242
  136    H    LYS  20           H        LYS  20  -3.967   0.897  -2.242
  137    HA   LYS  20           HA       LYS  20  -4.029  -0.993  -4.446
  138   1HB   LYS  20          2HB       LYS  20  -5.583   1.449  -5.006
  139   2HB   LYS  20          1HB       LYS  20  -5.849  -0.192  -5.572
  140   1HG   LYS  20          2HG       LYS  20  -7.579  -0.305  -4.200
  141   2HG   LYS  20          1HG       LYS  20  -6.452  -0.213  -2.854
  142   1HD   LYS  20          2HD       LYS  20  -7.137   1.846  -2.326
  143   2HD   LYS  20          1HD       LYS  20  -6.923   2.400  -3.988
  144   1HE   LYS  20          2HE       LYS  20  -9.257   0.671  -3.528
  145   2HE   LYS  20          1HE       LYS  20  -9.315   2.239  -2.725
  146   1HZ   LYS  20          1HZ       LYS  20 -10.218   1.991  -5.120
  147   2HZ   LYS  20          2HZ       LYS  20  -8.582   2.093  -5.570
  148   3HZ   LYS  20          3HZ       LYS  20  -9.303   3.362  -4.711
  149    H    ALA  21           H        ALA  21  -3.135   0.024  -6.413
  150    HA   ALA  21           HA       ALA  21  -2.468   2.569  -6.936
  151   1HB   ALA  21          1HB       ALA  21   0.174   1.889  -5.977
  152   2HB   ALA  21          2HB       ALA  21  -0.774   3.353  -5.721
  153   3HB   ALA  21          3HB       ALA  21  -0.992   1.965  -4.655
  154    H    ILE  22           H        ILE  22  -0.378  -0.248  -6.581
  155    HA   ILE  22           HA       ILE  22   1.349   0.001  -8.548
  156    HB   ILE  22           HB       ILE  22   0.064  -2.688  -8.211
  157   1HG1  ILE  22          2HG1      ILE  22   1.543  -1.029  -6.232
  158   2HG1  ILE  22          1HG1      ILE  22   0.255  -2.197  -5.975
  159   1HG2  ILE  22          1HG2      ILE  22   2.987  -2.359  -8.232
  160   2HG2  ILE  22          2HG2      ILE  22   1.949  -3.539  -9.059
  161   3HG2  ILE  22          3HG2      ILE  22   2.154  -1.919  -9.726
  162   1HD1  ILE  22          1HD1      ILE  22   2.130  -3.161  -5.001
  163   2HD1  ILE  22          2HD1      ILE  22   1.990  -3.969  -6.563
  164   3HD1  ILE  22          3HD1      ILE  22   3.185  -2.688  -6.336
  165    H    ASP  23           H        ASP  23  -1.862  -1.337  -9.129
  166    HA   ASP  23           HA       ASP  23  -2.167  -0.381 -11.712
  167   1HB   ASP  23          2HB       ASP  23  -0.281  -2.189 -12.004
  168   2HB   ASP  23          1HB       ASP  23  -1.613  -3.331 -11.872
  169    H    GLN  24           H        GLN  24  -2.904  -2.364  -9.125
  170    HA   GLN  24           HA       GLN  24  -5.697  -2.536  -9.879
  171   1HB   GLN  24          2HB       GLN  24  -5.746  -4.948  -9.233
  172   2HB   GLN  24          1HB       GLN  24  -4.814  -4.638 -10.692
  173   1HG   GLN  24          2HG       GLN  24  -3.271  -4.600  -8.193
  174   2HG   GLN  24          1HG       GLN  24  -3.973  -6.156  -8.622
  175   1HE2  GLN  24          1HE2      GLN  24  -1.314  -4.241  -8.957
  176   2HE2  GLN  24          2HE2      GLN  24  -0.636  -4.931 -10.393
  177    H    TYR  25           H        TYR  25  -6.747  -3.865  -7.880
  178    HA   TYR  25           HA       TYR  25  -6.048  -2.326  -5.505
  179   1HB   TYR  25          2HB       TYR  25  -8.260  -4.366  -5.827
  180   2HB   TYR  25          1HB       TYR  25  -8.089  -3.176  -4.538
  181    HD1  TYR  25           1HD      TYR  25  -7.653  -0.676  -5.795
  182    HD2  TYR  25           2HD      TYR  25 -10.083  -3.901  -7.129
  183    HE1  TYR  25           1HE      TYR  25  -9.028   0.903  -7.087
  184    HE2  TYR  25           2HE      TYR  25 -11.466  -2.330  -8.426
  185    HH   TYR  25           HH       TYR  25 -10.995   0.056  -9.511
  186    H    TRP  26           H        TRP  26  -5.747  -3.433  -3.455
  187    HA   TRP  26           HA       TRP  26  -4.682  -6.155  -3.727
  188   1HB   TRP  26          2HB       TRP  26  -3.305  -3.832  -2.367
  189   2HB   TRP  26          1HB       TRP  26  -2.740  -5.496  -2.352
  190    HD1  TRP  26           HD       TRP  26  -2.814  -2.381  -4.513
  191    HE1  TRP  26           1HE      TRP  26  -1.288  -2.752  -6.547
  192    HE3  TRP  26           3HE      TRP  26  -1.894  -7.367  -3.935
  193    HZ2  TRP  26           2HZ      TRP  26   0.120  -4.884  -7.753
  194    HZ3  TRP  26           3HZ      TRP  26  -0.440  -8.492  -5.565
  195    HH2  TRP  26           HH       TRP  26   0.549  -7.276  -7.429
  196    H    HIS  27           H        HIS  27  -3.587  -6.109  -1.129
  197    HA   HIS  27           HA       HIS  27  -5.933  -5.818   0.616
  198   1HB   HIS  27          2HB       HIS  27  -4.276  -8.235   0.108
  199   2HB   HIS  27          1HB       HIS  27  -4.668  -7.903   1.790
  200    HD2  HIS  27           2HD      HIS  27  -7.684  -7.259   1.857
  201    HE1  HIS  27           1HE      HIS  27  -8.234 -10.546  -0.756
  202    HE2  HIS  27           2HE      HIS  27  -9.394  -8.917   0.813
  203    H    GLU  28           H        GLU  28  -5.065  -6.006   3.017
  204    HA   GLU  28           HA       GLU  28  -3.055  -4.021   3.362
  205   1HB   GLU  28          2HB       GLU  28  -4.086  -5.875   5.496
  206   2HB   GLU  28          1HB       GLU  28  -3.505  -4.235   5.659
  207   1HG   GLU  28          2HG       GLU  28  -5.498  -3.343   5.233
  208   2HG   GLU  28          1HG       GLU  28  -5.817  -4.467   3.912
  209    H    ASP  29           H        ASP  29  -3.260  -7.495   4.090
  210    HA   ASP  29           HA       ASP  29  -0.478  -7.617   4.812
  211   1HB   ASP  29          2HB       ASP  29  -1.689  -9.070   6.132
  212   2HB   ASP  29          1HB       ASP  29  -2.780  -9.505   4.822
  213    H    CYS  30           H        CYS  30  -2.304  -8.087   2.021
  214    HA   CYS  30           HA       CYS  30  -0.512  -9.816   0.634
  215   1HB   CYS  30          2HB       CYS  30  -2.885  -8.164  -0.142
  216   2HB   CYS  30          1HB       CYS  30  -1.854  -8.842  -1.394
  217    H    LEU  31           H        LEU  31  -1.158  -6.317   0.428
  218    HA   LEU  31           HA       LEU  31   1.271  -6.058  -1.161
  219   1HB   LEU  31          2HB       LEU  31  -1.179  -4.851  -1.391
  220   2HB   LEU  31          1HB       LEU  31  -0.191  -3.600  -0.660
  221    HG   LEU  31           HG       LEU  31  -0.376  -4.012  -3.317
  222   1HD1  LEU  31          1HD1      LEU  31   2.264  -3.126  -2.281
  223   2HD1  LEU  31          2HD1      LEU  31   1.237  -2.408  -3.524
  224   3HD1  LEU  31          3HD1      LEU  31   0.819  -2.227  -1.821
  225   1HD2  LEU  31          1HD2      LEU  31   2.252  -5.292  -2.662
  226   2HD2  LEU  31          2HD2      LEU  31   0.798  -6.254  -2.929
  227   3HD2  LEU  31          3HD2      LEU  31   1.414  -5.211  -4.210
  228    H    SER  32           H        SER  32   2.409  -6.626   0.881
  229    HA   SER  32           HA       SER  32   3.438  -4.101   1.885
  230   1HB   SER  32          2HB       SER  32   3.765  -6.135   3.923
  231   2HB   SER  32          1HB       SER  32   3.120  -4.503   4.073
  232    HG   SER  32           HG       SER  32   1.179  -5.612   2.980
  233    H    CYS  33           H        CYS  33   5.717  -4.219   2.325
  234    HA   CYS  33           HA       CYS  33   6.908  -5.727   0.304
  235   1HB   CYS  33          2HB       CYS  33   8.365  -4.082   0.443
  236   2HB   CYS  33          1HB       CYS  33   7.589  -3.516   1.909
  237    H    ASP  34           H        ASP  34   8.617  -7.175   0.352
  238    HA   ASP  34           HA       ASP  34   8.011  -9.453   1.867
  239   1HB   ASP  34          2HB       ASP  34   9.269  -9.027  -0.475
  240   2HB   ASP  34          1HB       ASP  34  10.670  -9.286   0.555
  241    H    LEU  35           H        LEU  35  10.559  -7.056   2.151
  242    HA   LEU  35           HA       LEU  35  12.019  -8.504   4.139
  243   1HB   LEU  35          2HB       LEU  35  13.208  -6.962   2.749
  244   2HB   LEU  35          1HB       LEU  35  12.141  -5.646   3.201
  245    HG   LEU  35           HG       LEU  35  13.017  -5.635   5.448
  246   1HD1  LEU  35          1HD1      LEU  35  13.532  -7.857   5.971
  247   2HD1  LEU  35          2HD1      LEU  35  14.511  -8.070   4.520
  248   3HD1  LEU  35          3HD1      LEU  35  15.112  -7.084   5.851
  249   1HD2  LEU  35          1HD2      LEU  35  15.067  -4.641   4.979
  250   2HD2  LEU  35          2HD2      LEU  35  15.439  -5.782   3.686
  251   3HD2  LEU  35          3HD2      LEU  35  14.219  -4.532   3.437
  252    H    CYS  36           H        CYS  36   9.607  -5.938   4.173
  253    HA   CYS  36           HA       CYS  36   9.648  -5.295   6.893
  254   1HB   CYS  36          2HB       CYS  36   7.530  -5.244   4.783
  255   2HB   CYS  36          1HB       CYS  36   7.069  -4.996   6.462
  256    H    GLY  37           H        GLY  37   8.003  -7.892   5.162
  257   1HA   GLY  37          1HA       GLY  37   8.282  -9.912   6.819
  258   2HA   GLY  37          2HA       GLY  37   7.062  -9.005   7.701
  259    H    CYS  38           H        CYS  38   6.323  -8.404   4.543
  260    HA   CYS  38           HA       CYS  38   4.456 -10.653   4.573
  261   1HB   CYS  38          2HB       CYS  38   4.300  -7.927   3.291
  262   2HB   CYS  38          1HB       CYS  38   3.144  -9.215   2.975
  263    HG   CYS  38           HG       CYS  38   2.063  -7.317   4.767
  264    H    ARG  39           H        ARG  39   4.258  -9.326   1.625
  265    HA   ARG  39           HA       ARG  39   6.416 -10.473   0.218
  266   1HB   ARG  39          2HB       ARG  39   4.706 -12.217  -0.885
  267   2HB   ARG  39          1HB       ARG  39   5.754 -12.631   0.459
  268   1HG   ARG  39          2HG       ARG  39   3.887 -13.385   1.416
  269   2HG   ARG  39          1HG       ARG  39   3.567 -11.686   1.762
  270   1HD   ARG  39          2HD       ARG  39   2.448 -11.676  -0.578
  271   2HD   ARG  39          1HD       ARG  39   2.414 -13.430  -0.386
  272    HE   ARG  39           HE       ARG  39   1.362 -12.459   1.941
  273   1HH1  ARG  39          2HH1      ARG  39   0.551 -12.173  -1.463
  274   2HH1  ARG  39          1HH1      ARG  39  -1.116 -11.795  -1.146
  275   1HH2  ARG  39          2HH2      ARG  39  -0.850 -12.012   2.332
  276   2HH2  ARG  39          1HH2      ARG  39  -1.908 -11.720   0.975
  277    H    LEU  40           H        LEU  40   6.307  -8.537  -0.946
  278    HA   LEU  40           HA       LEU  40   3.959  -7.666  -2.275
  279   1HB   LEU  40          2HB       LEU  40   6.654  -6.764  -1.927
  280   2HB   LEU  40          1HB       LEU  40   6.246  -6.700  -3.631
  281    HG   LEU  40           HG       LEU  40   4.200  -5.600  -1.842
  282   1HD1  LEU  40          1HD1      LEU  40   6.870  -4.915  -1.320
  283   2HD1  LEU  40          2HD1      LEU  40   6.166  -3.558  -2.201
  284   3HD1  LEU  40          3HD1      LEU  40   5.411  -4.132  -0.713
  285   1HD2  LEU  40          1HD2      LEU  40   5.195  -5.301  -4.539
  286   2HD2  LEU  40          2HD2      LEU  40   3.629  -4.853  -3.862
  287   3HD2  LEU  40          3HD2      LEU  40   4.990  -3.737  -3.750
  288    H    GLY  41           H        GLY  41   3.104  -9.312  -3.507
  289   1HA   GLY  41          1HA       GLY  41   4.801 -10.468  -5.615
  290   2HA   GLY  41          2HA       GLY  41   3.259 -11.125  -5.063
  291    H    GLU  42           H        GLU  42   4.317  -7.938  -6.135
  292    HA   GLU  42           HA       GLU  42   1.841  -7.409  -7.372
  293   1HB   GLU  42          2HB       GLU  42   2.854  -5.283  -8.054
  294   2HB   GLU  42          1HB       GLU  42   3.149  -5.645  -6.360
  295   1HG   GLU  42          2HG       GLU  42   5.224  -4.966  -6.933
  296   2HG   GLU  42          1HG       GLU  42   5.380  -6.668  -7.371
  297    H    VAL  43           H        VAL  43   1.966  -6.245  -9.633
  298    HA   VAL  43           HA       VAL  43   3.537  -7.556 -11.645
  299    HB   VAL  43           HB       VAL  43   1.745  -9.236 -11.037
  300   1HG1  VAL  43          1HG1      VAL  43   0.083  -6.976 -11.295
  301   2HG1  VAL  43          2HG1      VAL  43  -0.367  -8.103 -12.577
  302   3HG1  VAL  43          3HG1      VAL  43  -0.376  -8.633 -10.894
  303   1HG2  VAL  43          1HG2      VAL  43   0.943  -9.136 -13.669
  304   2HG2  VAL  43          2HG2      VAL  43   2.476  -8.267 -13.679
  305   3HG2  VAL  43          3HG2      VAL  43   2.401  -9.916 -13.059
  306    H    GLY  44           H        GLY  44   2.801  -4.904 -10.619
  307   1HA   GLY  44          1HA       GLY  44   1.630  -3.733 -13.070
  308   2HA   GLY  44          2HA       GLY  44   1.292  -3.092 -11.468
  309    H    ARG  45           H        ARG  45   2.110  -1.093 -12.588
  310    HA   ARG  45           HA       ARG  45   5.049  -0.986 -12.401
  311   1HB   ARG  45          2HB       ARG  45   4.427  -0.827 -14.713
  312   2HB   ARG  45          1HB       ARG  45   3.199   0.377 -14.357
  313   1HG   ARG  45          2HG       ARG  45   5.627   1.419 -13.404
  314   2HG   ARG  45          1HG       ARG  45   5.957   0.743 -15.001
  315   1HD   ARG  45          2HD       ARG  45   3.884   2.799 -14.261
  316   2HD   ARG  45          1HD       ARG  45   5.296   3.021 -15.295
  317    HE   ARG  45           HE       ARG  45   2.855   1.525 -15.986
  318   1HH1  ARG  45          2HH1      ARG  45   5.879   3.031 -16.918
  319   2HH1  ARG  45          1HH1      ARG  45   5.548   2.927 -18.626
  320   1HH2  ARG  45          2HH2      ARG  45   2.442   1.345 -18.210
  321   2HH2  ARG  45          1HH2      ARG  45   3.598   1.945 -19.366
  322    H    ARG  46           H        ARG  46   2.015   0.753 -11.912
  323    HA   ARG  46           HA       ARG  46   3.255   3.124 -10.931
  324   1HB   ARG  46          2HB       ARG  46   0.401   2.186 -10.671
  325   2HB   ARG  46          1HB       ARG  46   0.977   3.817 -10.356
  326   1HG   ARG  46          2HG       ARG  46   1.675   3.999 -12.700
  327   2HG   ARG  46          1HG       ARG  46   1.018   2.390 -13.002
  328   1HD   ARG  46          2HD       ARG  46  -0.509   4.814 -12.077
  329   2HD   ARG  46          1HD       ARG  46  -0.581   4.074 -13.676
  330    HE   ARG  46           HE       ARG  46  -1.596   2.862 -11.187
  331   1HH1  ARG  46          2HH1      ARG  46  -1.558   3.137 -14.666
  332   2HH1  ARG  46          1HH1      ARG  46  -2.903   2.062 -14.898
  333   1HH2  ARG  46          2HH2      ARG  46  -3.390   1.466 -11.467
  334   2HH2  ARG  46          1HH2      ARG  46  -3.955   1.123 -13.081
  335    H    LEU  47           H        LEU  47   4.605   1.761  -9.345
  336    HA   LEU  47           HA       LEU  47   3.564   2.374  -6.749
  337   1HB   LEU  47          2HB       LEU  47   2.803  -0.040  -7.352
  338   2HB   LEU  47          1HB       LEU  47   4.485  -0.461  -7.101
  339    HG   LEU  47           HG       LEU  47   2.612  -0.616  -5.186
  340   1HD1  LEU  47          1HD1      LEU  47   4.317  -1.228  -3.859
  341   2HD1  LEU  47          2HD1      LEU  47   5.267  -1.044  -5.333
  342   3HD1  LEU  47          3HD1      LEU  47   5.221   0.260  -4.144
  343   1HD2  LEU  47          1HD2      LEU  47   2.443   1.966  -5.374
  344   2HD2  LEU  47          2HD2      LEU  47   2.465   1.209  -3.783
  345   3HD2  LEU  47          3HD2      LEU  47   3.929   1.956  -4.425
  346    H    TYR  48           H        TYR  48   5.229   2.459  -5.179
  347    HA   TYR  48           HA       TYR  48   7.816   2.933  -6.317
  348   1HB   TYR  48          2HB       TYR  48   6.610   4.149  -4.325
  349   2HB   TYR  48          1HB       TYR  48   7.315   2.853  -3.366
  350    HD1  TYR  48           1HD      TYR  48   8.191   5.232  -2.421
  351    HD2  TYR  48           2HD      TYR  48   9.537   3.322  -5.975
  352    HE1  TYR  48           1HE      TYR  48  10.291   6.494  -2.293
  353    HE2  TYR  48           2HE      TYR  48  11.650   4.582  -5.856
  354    HH   TYR  48           HH       TYR  48  12.065   7.281  -4.026
  355    H    TYR  49           H        TYR  49   8.499   0.959  -7.054
  356    HA   TYR  49           HA       TYR  49   9.634  -0.722  -4.973
  357   1HB   TYR  49          2HB       TYR  49   9.014  -2.795  -6.093
  358   2HB   TYR  49          1HB       TYR  49   7.561  -1.877  -5.708
  359    HD1  TYR  49           1HD      TYR  49   9.814  -2.935  -8.431
  360    HD2  TYR  49           2HD      TYR  49   6.082  -1.121  -7.447
  361    HE1  TYR  49           1HE      TYR  49   9.109  -3.111 -10.776
  362    HE2  TYR  49           2HE      TYR  49   5.383  -1.285  -9.796
  363    HH   TYR  49           HH       TYR  49   5.888  -2.582 -11.778
  364    H    LYS  50           H        LYS  50  11.495  -1.992  -5.830
  365    HA   LYS  50           HA       LYS  50  13.019  -0.282  -7.549
  366   1HB   LYS  50          2HB       LYS  50  13.538  -2.452  -5.694
  367   2HB   LYS  50          1HB       LYS  50  14.480  -2.621  -7.167
  368   1HG   LYS  50          2HG       LYS  50  14.866  -0.002  -6.631
  369   2HG   LYS  50          1HG       LYS  50  14.696  -0.656  -4.999
  370   1HD   LYS  50          2HD       LYS  50  16.510  -2.121  -5.282
  371   2HD   LYS  50          1HD       LYS  50  16.510  -1.915  -7.035
  372   1HE   LYS  50          2HE       LYS  50  17.322   0.324  -6.837
  373   2HE   LYS  50          1HE       LYS  50  17.125   0.298  -5.085
  374   1HZ   LYS  50          1HZ       LYS  50  18.832  -1.425  -4.974
  375   2HZ   LYS  50          2HZ       LYS  50  19.428  -0.011  -5.698
  376   3HZ   LYS  50          3HZ       LYS  50  19.029  -1.350  -6.657
  377    H    LEU  51           H        LEU  51  14.070  -0.926  -9.467
  378    HA   LEU  51           HA       LEU  51  12.588  -1.658 -11.529
  379   1HB   LEU  51          2HB       LEU  51  14.508  -1.979 -12.815
  380   2HB   LEU  51          1HB       LEU  51  14.976  -0.883 -11.533
  381    HG   LEU  51           HG       LEU  51  15.548  -3.843 -11.440
  382   1HD1  LEU  51          1HD1      LEU  51  16.600  -2.770 -13.411
  383   2HD1  LEU  51          2HD1      LEU  51  17.410  -1.647 -12.320
  384   3HD1  LEU  51          3HD1      LEU  51  17.764  -3.371 -12.228
  385   1HD2  LEU  51          1HD2      LEU  51  16.232  -1.481  -9.763
  386   2HD2  LEU  51          2HD2      LEU  51  15.823  -3.131  -9.284
  387   3HD2  LEU  51          3HD2      LEU  51  17.428  -2.767  -9.929
  388    H    GLY  52           H        GLY  52  14.225  -4.092  -9.525
  389   1HA   GLY  52          1HA       GLY  52  12.451  -6.080 -10.764
  390   2HA   GLY  52          2HA       GLY  52  14.172  -6.412 -10.645
  391    H    ARG  53           H        ARG  53  12.739  -4.616  -8.064
  392    HA   ARG  53           HA       ARG  53  12.260  -7.014  -6.489
  393   1HB   ARG  53          2HB       ARG  53  13.732  -5.483  -4.701
  394   2HB   ARG  53          1HB       ARG  53  14.252  -6.975  -5.470
  395   1HG   ARG  53          2HG       ARG  53  14.786  -5.033  -7.363
  396   2HG   ARG  53          1HG       ARG  53  15.208  -4.270  -5.832
  397   1HD   ARG  53          2HD       ARG  53  16.861  -5.804  -5.369
  398   2HD   ARG  53          1HD       ARG  53  16.124  -7.054  -6.373
  399    HE   ARG  53           HE       ARG  53  17.849  -4.870  -7.258
  400   1HH1  ARG  53          2HH1      ARG  53  15.922  -7.692  -8.037
  401   2HH1  ARG  53          1HH1      ARG  53  16.474  -7.774  -9.685
  402   1HH2  ARG  53          2HH2      ARG  53  18.589  -4.980  -9.431
  403   2HH2  ARG  53          1HH2      ARG  53  17.972  -6.223 -10.486
  404    H    LYS  54           H        LYS  54  10.272  -6.638  -5.824
  405    HA   LYS  54           HA       LYS  54   9.349  -3.956  -5.321
  406   1HB   LYS  54          2HB       LYS  54   7.267  -5.476  -4.564
  407   2HB   LYS  54          1HB       LYS  54   7.594  -5.057  -6.239
  408   1HG   LYS  54          2HG       LYS  54   8.982  -7.464  -5.347
  409   2HG   LYS  54          1HG       LYS  54   7.224  -7.581  -5.273
  410   1HD   LYS  54          2HD       LYS  54   7.701  -6.368  -7.709
  411   2HD   LYS  54          1HD       LYS  54   8.993  -7.561  -7.575
  412   1HE   LYS  54          2HE       LYS  54   6.416  -8.617  -6.743
  413   2HE   LYS  54          1HE       LYS  54   6.405  -8.034  -8.409
  414   1HZ   LYS  54          1HZ       LYS  54   8.505  -9.372  -8.704
  415   2HZ   LYS  54          2HZ       LYS  54   7.067 -10.257  -8.525
  416   3HZ   LYS  54          3HZ       LYS  54   8.143 -10.108  -7.221
  417    H    LEU  55           H        LEU  55  10.126  -3.101  -3.517
  418    HA   LEU  55           HA       LEU  55   9.300  -4.244  -0.996
  419   1HB   LEU  55          2HB       LEU  55  11.362  -4.449  -0.002
  420   2HB   LEU  55          1HB       LEU  55  11.736  -4.964  -1.634
  421    HG   LEU  55           HG       LEU  55  12.192  -2.136  -0.709
  422   1HD1  LEU  55          1HD1      LEU  55  13.480  -4.407   0.293
  423   2HD1  LEU  55          2HD1      LEU  55  14.592  -3.707  -0.884
  424   3HD1  LEU  55          3HD1      LEU  55  13.988  -2.726   0.451
  425   1HD2  LEU  55          1HD2      LEU  55  13.563  -3.698  -2.888
  426   2HD2  LEU  55          2HD2      LEU  55  12.121  -2.722  -3.165
  427   3HD2  LEU  55          3HD2      LEU  55  13.609  -1.956  -2.600
  428    H    CYS  56           H        CYS  56   9.612  -2.564   0.780
  429    HA   CYS  56           HA       CYS  56   8.407  -0.212  -0.144
  430   1HB   CYS  56          2HB       CYS  56   8.538   0.600   2.153
  431   2HB   CYS  56          1HB       CYS  56   7.997  -1.069   2.100
  432    H    ARG  57           H        ARG  57   9.139   1.956   0.632
  433    HA   ARG  57           HA       ARG  57  11.612   2.598  -0.681
  434   1HB   ARG  57          2HB       ARG  57  10.128   4.309  -1.022
  435   2HB   ARG  57          1HB       ARG  57   9.380   4.119   0.555
  436   1HG   ARG  57          2HG       ARG  57  10.422   6.179   0.708
  437   2HG   ARG  57          1HG       ARG  57  11.575   5.092   1.482
  438   1HD   ARG  57          2HD       ARG  57  13.150   5.679   0.032
  439   2HD   ARG  57          1HD       ARG  57  12.129   5.187  -1.318
  440    HE   ARG  57           HE       ARG  57  11.171   7.472  -1.233
  441   1HH1  ARG  57          2HH1      ARG  57  14.365   6.875   0.069
  442   2HH1  ARG  57          1HH1      ARG  57  14.865   8.531  -0.057
  443   1HH2  ARG  57          2HH2      ARG  57  11.811   9.628  -1.391
  444   2HH2  ARG  57          1HH2      ARG  57  13.399  10.112  -0.855
  445    H    ARG  58           H        ARG  58  10.550   2.187   2.617
  446    HA   ARG  58           HA       ARG  58  12.826   3.495   3.742
  447   1HB   ARG  58          2HB       ARG  58  11.848   1.938   5.780
  448   2HB   ARG  58          1HB       ARG  58  11.357   3.587   5.426
  449   1HG   ARG  58          2HG       ARG  58   9.976   1.329   4.059
  450   2HG   ARG  58          1HG       ARG  58   9.585   1.708   5.737
  451   1HD   ARG  58          2HD       ARG  58   9.217   4.086   4.993
  452   2HD   ARG  58          1HD       ARG  58   9.338   3.502   3.333
  453    HE   ARG  58           HE       ARG  58   7.456   1.930   4.689
  454   1HH1  ARG  58          2HH1      ARG  58   7.801   5.228   3.534
  455   2HH1  ARG  58          1HH1      ARG  58   6.095   5.483   3.392
  456   1HH2  ARG  58          2HH2      ARG  58   5.202   2.286   4.506
  457   2HH2  ARG  58          1HH2      ARG  58   4.617   3.827   3.949
  458    H    ASP  59           H        ASP  59  11.920   0.155   3.090
  459    HA   ASP  59           HA       ASP  59  14.290  -0.904   4.318
  460   1HB   ASP  59          2HB       ASP  59  12.043  -2.039   2.708
  461   2HB   ASP  59          1HB       ASP  59  13.534  -2.969   2.843
  462    H    TYR  60           H        TYR  60  13.263  -0.096   1.053
  463    HA   TYR  60           HA       TYR  60  15.555  -0.989  -0.319
  464   1HB   TYR  60          2HB       TYR  60  14.136  -0.409  -1.953
  465   2HB   TYR  60          1HB       TYR  60  13.209   0.624  -0.878
  466    HD1  TYR  60           1HD      TYR  60  13.732   3.034  -0.722
  467    HD2  TYR  60           2HD      TYR  60  15.792   0.484  -3.431
  468    HE1  TYR  60           1HE      TYR  60  14.502   5.002  -1.973
  469    HE2  TYR  60           2HE      TYR  60  16.581   2.451  -4.689
  470    HH   TYR  60           HH       TYR  60  15.306   5.243  -4.702
  471    H    LEU  61           H        LEU  61  14.857   1.936   1.488
  472    HA   LEU  61           HA       LEU  61  17.132   3.408   0.666
  473   1HB   LEU  61          2HB       LEU  61  14.865   3.928   2.075
  474   2HB   LEU  61          1HB       LEU  61  16.065   3.922   3.354
  475    HG   LEU  61           HG       LEU  61  17.225   5.745   2.434
  476   1HD1  LEU  61          1HD1      LEU  61  15.552   5.883  -0.024
  477   2HD1  LEU  61          2HD1      LEU  61  17.201   6.446   0.255
  478   3HD1  LEU  61          3HD1      LEU  61  16.881   4.725   0.036
  479   1HD2  LEU  61          1HD2      LEU  61  14.429   6.512   1.716
  480   2HD2  LEU  61          2HD2      LEU  61  14.829   6.089   3.381
  481   3HD2  LEU  61          3HD2      LEU  61  15.656   7.430   2.586
  482    H    ARG  62           H        ARG  62  16.747   0.807   2.865
  483    HA   ARG  62           HA       ARG  62  19.035   1.533   4.483
  484   1HB   ARG  62          2HB       ARG  62  16.750  -0.044   4.833
  485   2HB   ARG  62          1HB       ARG  62  18.097  -1.171   4.858
  486   1HG   ARG  62          2HG       ARG  62  18.082  -0.652   7.051
  487   2HG   ARG  62          1HG       ARG  62  19.082   0.691   6.498
  488   1HD   ARG  62          2HD       ARG  62  17.185   1.282   8.059
  489   2HD   ARG  62          1HD       ARG  62  17.270   2.196   6.556
  490    HE   ARG  62           HE       ARG  62  15.417   0.921   5.730
  491   1HH1  ARG  62          2HH1      ARG  62  16.106   0.475   9.147
  492   2HH1  ARG  62          1HH1      ARG  62  14.509  -0.119   9.515
  493   1HH2  ARG  62          2HH2      ARG  62  13.346   0.072   6.220
  494   2HH2  ARG  62          1HH2      ARG  62  12.956  -0.362   7.851
  495    H    LEU  63           H        LEU  63  18.459  -0.323   1.650
  496    HA   LEU  63           HA       LEU  63  21.098  -1.599   1.968
  497   1HB   LEU  63          2HB       LEU  63  19.938  -3.230   0.182
  498   2HB   LEU  63          1HB       LEU  63  19.903  -3.496   1.914
  499    HG   LEU  63           HG       LEU  63  17.689  -1.841   1.238
  500   1HD1  LEU  63          1HD1      LEU  63  17.280  -4.376  -0.185
  501   2HD1  LEU  63          2HD1      LEU  63  16.678  -2.758  -0.547
  502   3HD1  LEU  63          3HD1      LEU  63  18.324  -3.212  -0.999
  503   1HD2  LEU  63          1HD2      LEU  63  16.432  -3.700   2.184
  504   2HD2  LEU  63          2HD2      LEU  63  17.863  -4.724   2.088
  505   3HD2  LEU  63          3HD2      LEU  63  17.852  -3.322   3.159
  506    H    GLY  64           H        GLY  64  18.803  -0.342  -0.451
  507   1HA   GLY  64          1HA       GLY  64  21.136   0.177  -2.187
  508   2HA   GLY  64          2HA       GLY  64  19.694  -0.606  -2.814
  509    H    GLY  65           H        GLY  65  19.814   2.077  -0.524
  510   1HA   GLY  65          1HA       GLY  65  18.485   3.714  -2.600
  511   2HA   GLY  65          2HA       GLY  65  18.085   3.799  -0.890
  512    H    SER  66           H        SER  66  19.118   5.193   0.352
  513    HA   SER  66           HA       SER  66  21.508   6.526  -0.704
  514   1HB   SER  66          2HB       SER  66  19.536   8.030   0.979
  515   2HB   SER  66          1HB       SER  66  20.675   8.643  -0.218
  516    HG   SER  66           HG       SER  66  19.310   8.183  -1.805
  517    H    GLY  67           H        GLY  67  21.573   4.338   0.966
  518   1HA   GLY  67          1HA       GLY  67  21.975   3.539   3.104
  519   2HA   GLY  67          2HA       GLY  67  23.326   4.638   2.926
  520    H    GLY  68           H        GLY  68  19.892   5.327   3.440
  521   1HA   GLY  68          1HA       GLY  68  19.363   5.744   5.931
  522   2HA   GLY  68          2HA       GLY  68  20.631   6.958   5.765
  523    H    HIS  69           H        HIS  69  19.832   8.934   5.510
  524    HA   HIS  69           HA       HIS  69  18.232   9.713   3.378
  525   1HB   HIS  69          2HB       HIS  69  16.524   8.485   4.930
  526   2HB   HIS  69          1HB       HIS  69  16.626   9.932   5.912
  527    HD2  HIS  69           2HD      HIS  69  15.716   9.082   2.167
  528    HE1  HIS  69           1HE      HIS  69  13.546  12.468   3.482
  529    HE2  HIS  69           2HE      HIS  69  14.090  10.993   1.494
  530    H    MET  70           H        MET  70  16.800  11.748   4.971
  531    HA   MET  70           HA       MET  70  19.092  13.482   5.644
  532   1HB   MET  70          2HB       MET  70  16.250  14.357   5.130
  533   2HB   MET  70          1HB       MET  70  17.686  15.368   5.195
  534   1HG   MET  70          2HG       MET  70  18.150  13.466   3.182
  535   2HG   MET  70          1HG       MET  70  16.498  14.040   2.961
  536   1HE   MET  70          1HE       MET  70  20.112  14.723   1.967
  537   2HE   MET  70          2HE       MET  70  20.379  16.394   2.467
  538   3HE   MET  70          3HE       MET  70  20.119  15.141   3.681
  539    H    GLY  71           H        GLY  71  16.459  11.745   6.838
  540   1HA   GLY  71          1HA       GLY  71  17.009  12.676   9.539
  541   2HA   GLY  71          2HA       GLY  71  15.356  12.856   8.967
  542    H    SER  72           H        SER  72  17.569  10.805  10.431
  543    HA   SER  72           HA       SER  72  16.149   8.345   9.720
  544   1HB   SER  72          2HB       SER  72  18.224   8.058  11.728
  545   2HB   SER  72          1HB       SER  72  18.128   7.356  10.112
  546    HG   SER  72           HG       SER  72  19.038   9.981  10.752
  547    H    GLY  73           H        GLY  73  14.287   8.116  10.791
  548   1HA   GLY  73          1HA       GLY  73  13.462   9.252  13.132
  549   2HA   GLY  73          2HA       GLY  73  12.869   7.703  12.556
  550    H    GLY  74           H        GLY  74  14.403   9.287  15.026
  551   1HA   GLY  74          1HA       GLY  74  14.675   7.158  16.761
  552   2HA   GLY  74          2HA       GLY  74  16.210   7.273  15.911
  553    H    ASP  75           H        ASP  75  17.640   8.245  17.223
  554    HA   ASP  75           HA       ASP  75  16.892  10.874  18.255
  555   1HB   ASP  75          2HB       ASP  75  16.777   8.880  20.009
  556   2HB   ASP  75          1HB       ASP  75  18.514   9.169  20.078
  557    H    VAL  76           H        VAL  76  18.180  11.891  16.821
  558    HA   VAL  76           HA       VAL  76  21.064  11.621  17.299
  559    HB   VAL  76           HB       VAL  76  19.962  12.220  14.550
  560   1HG1  VAL  76          1HG1      VAL  76  22.559  12.339  15.769
  561   2HG1  VAL  76          2HG1      VAL  76  22.560  11.189  14.433
  562   3HG1  VAL  76          3HG1      VAL  76  22.052  12.856  14.163
  563   1HG2  VAL  76          1HG2      VAL  76  19.898  10.054  13.973
  564   2HG2  VAL  76          2HG2      VAL  76  21.332   9.655  14.917
  565   3HG2  VAL  76          3HG2      VAL  76  19.758   9.760  15.705
  566    H    MET  77           H        MET  77  21.581  13.449  18.294
  567    HA   MET  77           HA       MET  77  20.004  15.818  17.977
  568   1HB   MET  77          2HB       MET  77  22.623  15.629  19.450
  569   2HB   MET  77          1HB       MET  77  21.287  16.736  19.744
  570   1HG   MET  77          2HG       MET  77  19.918  14.950  20.557
  571   2HG   MET  77          1HG       MET  77  21.142  13.765  20.128
  572   1HE   MET  77          1HE       MET  77  21.398  13.383  23.851
  573   2HE   MET  77          2HE       MET  77  20.560  12.905  22.376
  574   3HE   MET  77          3HE       MET  77  22.304  12.687  22.508
  575    H    VAL  78           H        VAL  78  20.214  16.687  15.996
  576    HA   VAL  78           HA       VAL  78  22.188  18.493  15.416
  577    HB   VAL  78           HB       VAL  78  23.734  16.581  15.170
  578   1HG1  VAL  78          1HG1      VAL  78  21.645  15.264  14.010
  579   2HG1  VAL  78          2HG1      VAL  78  22.658  15.658  12.621
  580   3HG1  VAL  78          3HG1      VAL  78  23.332  14.744  13.972
  581   1HG2  VAL  78          1HG2      VAL  78  24.236  17.121  12.604
  582   2HG2  VAL  78          2HG2      VAL  78  23.115  18.436  12.954
  583   3HG2  VAL  78          3HG2      VAL  78  24.585  18.254  13.910
  584    H    VAL  79           H        VAL  79  21.397  19.820  13.904
  585    HA   VAL  79           HA       VAL  79  18.870  19.274  12.727
  586    HB   VAL  79           HB       VAL  79  20.842  21.502  12.188
  587   1HG1  VAL  79          1HG1      VAL  79  19.611  21.936  10.377
  588   2HG1  VAL  79          2HG1      VAL  79  18.351  20.797  10.854
  589   3HG1  VAL  79          3HG1      VAL  79  18.348  22.439  11.500
  590   1HG2  VAL  79          1HG2      VAL  79  19.530  21.088  14.474
  591   2HG2  VAL  79          2HG2      VAL  79  19.855  22.700  13.839
  592   3HG2  VAL  79          3HG2      VAL  79  18.276  21.956  13.589
  593    H    GLY  80           H        GLY  80  22.171  19.356  11.520
  594   1HA   GLY  80          1HA       GLY  80  21.365  18.483   8.856
  595   2HA   GLY  80          2HA       GLY  80  23.010  18.779   9.406
  596    H    GLU  81           H        GLU  81  20.303  16.686  10.299
  597    HA   GLU  81           HA       GLU  81  21.709  14.637  11.458
  598   1HB   GLU  81          2HB       GLU  81  19.045  15.096  10.635
  599   2HB   GLU  81          1HB       GLU  81  19.505  13.523   9.997
  600   1HG   GLU  81          2HG       GLU  81  20.409  13.168  12.436
  601   2HG   GLU  81          1HG       GLU  81  19.227  14.423  12.809
  602    HA   PRO  82           HA       PRO  82  23.973  12.946   8.029
  603   1HB   PRO  82          2HB       PRO  82  24.617  10.754   9.878
  604   2HB   PRO  82          1HB       PRO  82  25.695  11.921   9.105
  605   1HG   PRO  82          2HG       PRO  82  25.165  12.014  11.738
  606   2HG   PRO  82          1HG       PRO  82  25.417  13.484  10.780
  607   1HD   PRO  82          2HD       PRO  82  22.850  12.244  11.705
  608   2HD   PRO  82          1HD       PRO  82  23.332  13.954  11.695
  609    H    THR  83           H        THR  83  24.386  10.406   7.430
  610    HA   THR  83           HA       THR  83  21.698   9.424   6.845
  611    HB   THR  83           HB       THR  83  23.467   7.828   5.439
  612    HG1  THR  83           1HG      THR  83  25.133   9.411   6.186
  613   1HG2  THR  83          1HG2      THR  83  21.511   8.711   4.431
  614   2HG2  THR  83          2HG2      THR  83  22.869   9.369   3.517
  615   3HG2  THR  83          3HG2      THR  83  22.035  10.374   4.703
  616    H    LEU  84           H        LEU  84  21.864   8.794   9.321
  617    HA   LEU  84           HA       LEU  84  23.318   6.470   9.991
  618   1HB   LEU  84          2HB       LEU  84  20.791   7.533  11.236
  619   2HB   LEU  84          1HB       LEU  84  21.948   6.447  11.980
  620    HG   LEU  84           HG       LEU  84  22.539   8.407  12.939
  621   1HD1  LEU  84          1HD1      LEU  84  24.390   7.434  11.377
  622   2HD1  LEU  84          2HD1      LEU  84  24.197   8.989  10.568
  623   3HD1  LEU  84          3HD1      LEU  84  24.646   8.932  12.273
  624   1HD2  LEU  84          1HD2      LEU  84  22.699  10.490  11.184
  625   2HD2  LEU  84          2HD2      LEU  84  21.271   9.606  10.641
  626   3HD2  LEU  84          3HD2      LEU  84  21.375  10.181  12.306
  627    H    MET  85           H        MET  85  21.834   4.568  10.995
  628    HA   MET  85           HA       MET  85  20.608   3.307   8.728
  629   1HB   MET  85          2HB       MET  85  21.801   2.346  10.962
  630   2HB   MET  85          1HB       MET  85  20.111   2.191  11.424
  631   1HG   MET  85          2HG       MET  85  19.655   0.665   9.750
  632   2HG   MET  85          1HG       MET  85  21.045   1.161   8.783
  633   1HE   MET  85          1HE       MET  85  19.824  -1.683  11.225
  634   2HE   MET  85          2HE       MET  85  19.947  -1.645   9.467
  635   3HE   MET  85          3HE       MET  85  21.043  -2.660  10.405
  636    H    GLY  86           H        GLY  86  19.440   4.634  11.796
  637   1HA   GLY  86          1HA       GLY  86  17.340   5.230  12.510
  638   2HA   GLY  86          2HA       GLY  86  17.198   5.870  10.883
  639    H    GLY  87           H        GLY  87  15.511   5.208   9.795
  640   1HA   GLY  87          1HA       GLY  87  14.704   2.806   9.039
  641   2HA   GLY  87          2HA       GLY  87  14.065   2.824  10.679
  642    H    GLU  88           H        GLU  88  13.330   5.504  10.842
  643    HA   GLU  88           HA       GLU  88  11.058   5.531   9.006
  644   1HB   GLU  88          2HB       GLU  88  11.091   7.521  11.162
  645   2HB   GLU  88          1HB       GLU  88   9.815   6.415  10.674
  646   1HG   GLU  88          2HG       GLU  88  10.753   4.644  11.946
  647   2HG   GLU  88          1HG       GLU  88  12.216   5.571  12.265
  648    H    PHE  89           H        PHE  89  11.659   6.562   7.190
  649    HA   PHE  89           HA       PHE  89  13.172   9.064   7.445
  650   1HB   PHE  89          2HB       PHE  89  12.724   7.551   4.881
  651   2HB   PHE  89          1HB       PHE  89  14.011   8.685   5.280
  652    HD1  PHE  89           1HD      PHE  89  15.754   7.973   6.995
  653    HD2  PHE  89           2HD      PHE  89  13.002   5.268   5.189
  654    HE1  PHE  89           1HE      PHE  89  17.188   6.081   7.640
  655    HE2  PHE  89           2HE      PHE  89  14.438   3.377   5.828
  656    HZ   PHE  89           HZ       PHE  89  16.526   3.784   7.060
  657    H    GLY  90           H        GLY  90  12.406   9.762   4.658
  658   1HA   GLY  90          1HA       GLY  90   9.547  10.282   4.862
  659   2HA   GLY  90          2HA       GLY  90  10.604  11.690   4.879
  660    H    ASP  91           H        ASP  91   9.246   9.150   2.973
  661    HA   ASP  91           HA       ASP  91  10.844   9.471   0.671
  662   1HB   ASP  91          2HB       ASP  91   8.604   8.450  -0.396
  663   2HB   ASP  91          1HB       ASP  91   9.753   7.476   0.512
  664    H    GLU  92           H        GLU  92   7.402   9.935   0.315
  665    HA   GLU  92           HA       GLU  92   6.118  11.569  -0.608
  666   1HB   GLU  92          2HB       GLU  92   8.413  13.231   0.372
  667   2HB   GLU  92          1HB       GLU  92   7.116  13.958  -0.565
  668   1HG   GLU  92          2HG       GLU  92   6.845  12.516   2.060
  669   2HG   GLU  92          1HG       GLU  92   6.716  14.254   1.794
  670    H    ASP  93           H        ASP  93   9.172  10.836  -1.828
  671    HA   ASP  93           HA       ASP  93   9.137  12.523  -4.125
  672   1HB   ASP  93          2HB       ASP  93  11.080  11.229  -4.860
  673   2HB   ASP  93          1HB       ASP  93  11.239  11.680  -3.167
  674    H    GLU  94           H        GLU  94   8.012   9.297  -3.421
  675    HA   GLU  94           HA       GLU  94   6.934   9.163  -6.149
  676   1HB   GLU  94          2HB       GLU  94   8.889   7.443  -5.034
  677   2HB   GLU  94          1HB       GLU  94   7.396   6.523  -5.139
  678   1HG   GLU  94          2HG       GLU  94   8.775   7.960  -7.396
  679   2HG   GLU  94          1HG       GLU  94   8.725   6.218  -7.135
  680    H    ARG  95           H        ARG  95   5.051   7.888  -6.387
  681    HA   ARG  95           HA       ARG  95   3.214   8.210  -4.228
  682   1HB   ARG  95          2HB       ARG  95   1.975   8.418  -6.095
  683   2HB   ARG  95          1HB       ARG  95   3.121   7.514  -7.066
  684   1HG   ARG  95          2HG       ARG  95   1.588   5.849  -5.226
  685   2HG   ARG  95          1HG       ARG  95   0.597   6.704  -6.410
  686   1HD   ARG  95          2HD       ARG  95   3.053   5.155  -7.188
  687   2HD   ARG  95          1HD       ARG  95   1.467   4.397  -7.064
  688    HE   ARG  95           HE       ARG  95   0.730   6.040  -8.775
  689   1HH1  ARG  95          2HH1      ARG  95   4.131   5.245  -8.487
  690   2HH1  ARG  95          1HH1      ARG  95   4.484   5.600 -10.149
  691   1HH2  ARG  95          2HH2      ARG  95   1.189   6.528 -10.952
  692   2HH2  ARG  95          1HH2      ARG  95   2.817   6.334 -11.555
  693    H    LEU  96           H        LEU  96   2.615   6.803  -2.729
  694    HA   LEU  96           HA       LEU  96   3.668   4.071  -2.893
  695   1HB   LEU  96          2HB       LEU  96   2.403   5.230  -0.438
  696   2HB   LEU  96          1HB       LEU  96   3.601   3.956  -0.564
  697    HG   LEU  96           HG       LEU  96   4.237   6.815  -1.251
  698   1HD1  LEU  96          1HD1      LEU  96   3.721   7.162   0.940
  699   2HD1  LEU  96          2HD1      LEU  96   4.048   5.490   1.400
  700   3HD1  LEU  96          3HD1      LEU  96   5.384   6.603   1.113
  701   1HD2  LEU  96          1HD2      LEU  96   5.778   5.130  -2.099
  702   2HD2  LEU  96          2HD2      LEU  96   6.534   6.086  -0.824
  703   3HD2  LEU  96          3HD2      LEU  96   5.952   4.456  -0.478
  704    H    ILE  97           H        ILE  97   2.018   2.655  -1.345
  705    HA   ILE  97           HA       ILE  97  -0.365   2.478  -2.967
  706    HB   ILE  97           HB       ILE  97  -0.582   0.763  -0.719
  707   1HG1  ILE  97          2HG1      ILE  97   1.747  -0.403  -1.764
  708   2HG1  ILE  97          1HG1      ILE  97   2.170   1.282  -1.475
  709   1HG2  ILE  97          1HG2      ILE  97  -0.959  -0.819  -2.311
  710   2HG2  ILE  97          2HG2      ILE  97  -1.186   0.633  -3.286
  711   3HG2  ILE  97          3HG2      ILE  97   0.343  -0.242  -3.352
  712   1HD1  ILE  97          1HD1      ILE  97   2.304  -0.688   0.374
  713   2HD1  ILE  97          2HD1      ILE  97   2.147   1.028   0.746
  714   3HD1  ILE  97          3HD1      ILE  97   0.717  -0.003   0.718
  715    H    THR  98           H        THR  98  -2.363   3.086  -2.422
  716    HA   THR  98           HA       THR  98  -2.651   4.873  -0.205
  717    HB   THR  98           HB       THR  98  -5.155   4.431  -1.452
  718    HG1  THR  98           1HG      THR  98  -3.205   4.947  -3.443
  719   1HG2  THR  98          1HG2      THR  98  -4.088   6.542  -0.570
  720   2HG2  THR  98          2HG2      THR  98  -4.934   6.697  -2.110
  721   3HG2  THR  98          3HG2      THR  98  -3.171   6.597  -2.074
  722    H    ARG  99           H        ARG  99  -3.185   4.211   1.767
  723    HA   ARG  99           HA       ARG  99  -4.599   1.732   2.255
  724   1HB   ARG  99          2HB       ARG  99  -3.221   3.773   3.846
  725   2HB   ARG  99          1HB       ARG  99  -4.713   3.221   4.587
  726   1HG   ARG  99          2HG       ARG  99  -2.230   1.678   3.972
  727   2HG   ARG  99          1HG       ARG  99  -3.109   1.830   5.496
  728   1HD   ARG  99          2HD       ARG  99  -4.497   0.563   3.201
  729   2HD   ARG  99          1HD       ARG  99  -3.242  -0.360   4.028
  730    HE   ARG  99           HE       ARG  99  -5.759   0.603   5.199
  731   1HH1  ARG  99          2HH1      ARG  99  -2.779  -1.231   5.546
  732   2HH1  ARG  99          1HH1      ARG  99  -3.351  -2.125   6.929
  733   1HH2  ARG  99          2HH2      ARG  99  -6.472  -0.530   7.030
  734   2HH2  ARG  99          1HH2      ARG  99  -5.451  -1.724   7.774
  735    H    LEU 100           H        LEU 100  -6.586   1.957   1.230
  736    HA   LEU 100           HA       LEU 100  -8.099   4.372   1.508
  737   1HB   LEU 100          2HB       LEU 100  -8.104   2.537  -0.388
  738   2HB   LEU 100          1HB       LEU 100  -9.413   1.877   0.576
  739    HG   LEU 100           HG       LEU 100 -10.220   4.424   0.454
  740   1HD1  LEU 100          1HD1      LEU 100  -9.776   5.401  -1.695
  741   2HD1  LEU 100          2HD1      LEU 100  -8.238   5.075  -0.890
  742   3HD1  LEU 100          3HD1      LEU 100  -8.806   4.010  -2.177
  743   1HD2  LEU 100          1HD2      LEU 100 -11.535   2.477  -0.185
  744   2HD2  LEU 100          2HD2      LEU 100 -11.678   3.749  -1.397
  745   3HD2  LEU 100          3HD2      LEU 100 -10.644   2.353  -1.701
  746    H    GLU 101           H        GLU 101 -10.473   4.173   2.098
  747    HA   GLU 101           HA       GLU 101 -10.515   2.958   4.766
  748   1HB   GLU 101          2HB       GLU 101 -12.061   5.392   3.910
  749   2HB   GLU 101          1HB       GLU 101 -11.729   4.838   5.547
  750   1HG   GLU 101          2HG       GLU 101  -9.383   5.388   3.866
  751   2HG   GLU 101          1HG       GLU 101 -10.356   6.787   4.320
  752    H    ASN 102           H        ASN 102 -11.969   1.500   5.231
  753    HA   ASN 102           HA       ASN 102 -14.107   0.873   3.416
  754   1HB   ASN 102          2HB       ASN 102 -12.774  -0.847   4.698
  755   2HB   ASN 102          1HB       ASN 102 -13.602  -0.324   6.149
  756   1HD2  ASN 102          1HD2      ASN 102 -13.604  -2.937   4.974
  757   2HD2  ASN 102          2HD2      ASN 102 -15.235  -3.329   4.496
  758    H    THR 103           H        THR 103 -13.722   2.551   6.445
  759    HA   THR 103           HA       THR 103 -16.587   2.939   6.775
  760    HB   THR 103           HB       THR 103 -14.302   4.241   8.265
  761    HG1  THR 103           1HG      THR 103 -15.492   1.741   8.479
  762   1HG2  THR 103          1HG2      THR 103 -17.266   4.301   8.536
  763   2HG2  THR 103          2HG2      THR 103 -16.080   5.586   8.772
  764   3HG2  THR 103          3HG2      THR 103 -16.287   4.338  10.001
  765    H    GLN 104           H        GLN 104 -13.754   5.077   6.356
  766    HA   GLN 104           HA       GLN 104 -15.458   7.241   5.498
  767   1HB   GLN 104          2HB       GLN 104 -12.513   7.493   5.237
  768   2HB   GLN 104          1HB       GLN 104 -13.689   8.642   5.851
  769   1HG   GLN 104          2HG       GLN 104 -12.763   6.198   7.338
  770   2HG   GLN 104          1HG       GLN 104 -12.093   7.813   7.548
  771   1HE2  GLN 104          1HE2      GLN 104 -13.042   6.590   9.710
  772   2HE2  GLN 104          2HE2      GLN 104 -14.553   7.293  10.218
  773    H    PHE 105           H        PHE 105 -15.784   5.232   3.713
  774    HA   PHE 105           HA       PHE 105 -14.184   5.795   1.348
  775   1HB   PHE 105          2HB       PHE 105 -15.079   3.498   1.832
  776   2HB   PHE 105          1HB       PHE 105 -16.700   4.133   1.594
  777    HD1  PHE 105           1HD      PHE 105 -13.788   2.771   0.017
  778    HD2  PHE 105           2HD      PHE 105 -17.309   5.059  -0.689
  779    HE1  PHE 105           1HE      PHE 105 -13.627   2.277  -2.389
  780    HE2  PHE 105           2HE      PHE 105 -17.150   4.568  -3.095
  781    HZ   PHE 105           HZ       PHE 105 -15.307   3.176  -3.949
  782    H    ASP 106           H        ASP 106 -17.660   5.694   1.887
  783    HA   ASP 106           HA       ASP 106 -18.054   8.434   1.164
  784   1HB   ASP 106          2HB       ASP 106 -17.873   6.952  -1.035
  785   2HB   ASP 106          1HB       ASP 106 -19.534   6.544  -0.620
  786    H    ALA 107           H        ALA 107 -20.065   5.564   0.744
  787    HA   ALA 107           HA       ALA 107 -22.009   4.874   1.712
  788   1HB   ALA 107          1HB       ALA 107 -20.844   3.992   3.452
  789   2HB   ALA 107          2HB       ALA 107 -20.144   5.542   3.917
  790   3HB   ALA 107          3HB       ALA 107 -21.814   5.167   4.342
  791    H    ALA 108           H        ALA 108 -22.903   6.916   0.579
  792    HA   ALA 108           HA       ALA 108 -23.925   8.862   2.507
  793   1HB   ALA 108          1HB       ALA 108 -22.976   9.226   0.005
  794   2HB   ALA 108          2HB       ALA 108 -24.707   9.113  -0.318
  795   3HB   ALA 108          3HB       ALA 108 -24.097  10.326   0.808
  796    H    ASN 109           H        ASN 109 -26.283   9.373   0.742
  797    HA   ASN 109           HA       ASN 109 -27.919   7.062   1.567
  798   1HB   ASN 109          2HB       ASN 109 -28.172   9.320   2.844
  799   2HB   ASN 109          1HB       ASN 109 -29.033   9.849   1.400
  800   1HD2  ASN 109          1HD2      ASN 109 -31.009  10.042   2.384
  801   2HD2  ASN 109          2HD2      ASN 109 -31.922   8.678   2.952
  802    H    GLY 110           H        GLY 110 -26.782   7.079  -0.919
  803   1HA   GLY 110          1HA       GLY 110 -29.163   7.325  -2.604
  804   2HA   GLY 110          2HA       GLY 110 -27.703   8.151  -3.128
  805    H    ILE 111           H        ILE 111 -27.391   6.941  -4.969
  806    HA   ILE 111           HA       ILE 111 -26.866   4.069  -4.578
  807    HB   ILE 111           HB       ILE 111 -26.878   4.956  -7.348
  808   1HG1  ILE 111          2HG1      ILE 111 -28.648   6.454  -6.105
  809   2HG1  ILE 111          1HG1      ILE 111 -29.045   5.708  -7.648
  810   1HG2  ILE 111          1HG2      ILE 111 -26.977   2.611  -6.355
  811   2HG2  ILE 111          2HG2      ILE 111 -28.686   2.934  -6.063
  812   3HG2  ILE 111          3HG2      ILE 111 -28.054   2.961  -7.708
  813   1HD1  ILE 111          1HD1      ILE 111 -29.719   3.987  -5.425
  814   2HD1  ILE 111          2HD1      ILE 111 -30.505   5.563  -5.307
  815   3HD1  ILE 111          3HD1      ILE 111 -30.724   4.573  -6.750
  816    H    ASP 112           H        ASP 112 -25.114   6.388  -3.976
  817    HA   ASP 112           HA       ASP 112 -22.961   6.005  -5.934
  818   1HB   ASP 112          2HB       ASP 112 -23.826   8.329  -5.208
  819   2HB   ASP 112          1HB       ASP 112 -22.954   8.034  -3.710
  820    H    ASP 113           H        ASP 113 -23.916   4.406  -3.401
  821    HA   ASP 113           HA       ASP 113 -21.430   4.317  -1.894
  822   1HB   ASP 113          2HB       ASP 113 -23.479   4.068  -0.612
  823   2HB   ASP 113          1HB       ASP 113 -23.991   2.722  -1.629
  824    H    GLU 114           H        GLU 114 -19.870   3.488  -3.158
  825    HA   GLU 114           HA       GLU 114 -20.409   1.021  -4.626
  826   1HB   GLU 114          2HB       GLU 114 -19.010   3.390  -5.244
  827   2HB   GLU 114          1HB       GLU 114 -17.799   2.126  -5.101
  828   1HG   GLU 114          2HG       GLU 114 -19.669   0.874  -6.603
  829   2HG   GLU 114          1HG       GLU 114 -19.871   2.544  -7.130