*HEADER    TRANSPORT PROTEIN                       17-JUL-03   1Q0W              
*TITLE     SOLUTION STRUCTURE OF VPS27 AMINO-TERMINAL UIM-UBIQUITIN              
*TITLE    2 COMPLEX                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VACUOLAR PROTEIN SORTING-ASSOCIATED PROTEIN                
*COMPND   3 VPS27;                                                               
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: AMINO-TERMINAL UIM, RESIDUES 256 TO 278;                   
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: UBIQUITIN;                                                 
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE SEQUENCE WAS SYNTHESIZED USING A                  
*SOURCE   4 PEPTIDE SYNTHESIZER. THE SEQUENCE CONTAINS A NON-NATIVE              
*SOURCE   5 TYROSINE RESIDUE AT THE AMINO-TERMINUS (RESIDUE NUMBER               
*SOURCE   6 255). THE SEQUENCE OCCURS NATURALLY IN S. CEREVISIAE.;               
*SOURCE   7 MOL_ID: 2;                                                           
*SOURCE   8 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   9 ORGANISM_COMMON: YEAST;                                              
*SOURCE  10 GENE: (UBI1 OR RPL40A OR YIL148W) AND (UBI2 OR RPL40B OR             
*SOURCE  11 YKR094C) AND (UBI3 OR RPS31 OR YLR167W OR L9470.14) AND              
*SOURCE  12 (UBI4 OR SCD2 OR YLL039C);                                           
*SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  14 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE  15 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  16 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  17 EXPRESSION_SYSTEM_PLASMID: PET3-A                                    
*KEYWDS    PROTEIN-PROTEIN COMPLEX                                               
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.A.SWANSON, R.S.KANG, S.D.STAMENOVA, L.HICKE,                        
*AUTHOR   2 I.RADHAKRISHNAN                                                      
*REVDAT   1   07-OCT-03 1Q0W    0                                                




# distance.tbl

!alpha1
assign (resid  23 and name O and segid UBI ) (resid  27 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  23 and name O and segid UBI ) (resid  27 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  24 and name O and segid UBI ) (resid  28 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  24 and name O and segid UBI ) (resid  28 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  25 and name O and segid UBI ) (resid  29 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  25 and name O and segid UBI ) (resid  29 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  26 and name O and segid UBI ) (resid  30 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  26 and name O and segid UBI ) (resid  30 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  27 and name O and segid UBI ) (resid  31 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  27 and name O and segid UBI ) (resid  31 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  28 and name O and segid UBI ) (resid  32 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  28 and name O and segid UBI ) (resid  32 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  29 and name O and segid UBI ) (resid  33 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  29 and name O and segid UBI ) (resid  33 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  30 and name O and segid UBI ) (resid  34 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  30 and name O and segid UBI ) (resid  34 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  31 and name O and segid UBI ) (resid  35 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  31 and name O and segid UBI ) (resid  35 and name N  and segid UBI ) 2.90 0.20 0.20
!beta1-2
assign (resid   1 and name O and segid UBI ) (resid  17 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   1 and name O and segid UBI ) (resid  17 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid   3 and name O and segid UBI ) (resid  15 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   3 and name O and segid UBI ) (resid  15 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid   5 and name O and segid UBI ) (resid  13 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   5 and name O and segid UBI ) (resid  13 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  11 and name O and segid UBI ) (resid   7 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  11 and name O and segid UBI ) (resid   7 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  13 and name O and segid UBI ) (resid   5 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  13 and name O and segid UBI ) (resid   5 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  15 and name O and segid UBI ) (resid   3 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  15 and name O and segid UBI ) (resid   3 and name N  and segid UBI ) 2.90 0.20 0.20
!beta1-5
assign (resid   2 and name O and segid UBI ) (resid  64 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   2 and name O and segid UBI ) (resid  64 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid   4 and name O and segid UBI ) (resid  67 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   4 and name O and segid UBI ) (resid  67 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid   6 and name O and segid UBI ) (resid  69 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid   6 and name O and segid UBI ) (resid  69 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  65 and name O and segid UBI ) (resid   4 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  65 and name O and segid UBI ) (resid   4 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  67 and name O and segid UBI ) (resid   6 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  67 and name O and segid UBI ) (resid   6 and name N  and segid UBI ) 2.90 0.20 0.20
!beta4-5
assign (resid  40 and name O and segid UBI ) (resid  72 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  40 and name O and segid UBI ) (resid  72 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  42 and name O and segid UBI ) (resid  70 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  42 and name O and segid UBI ) (resid  70 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  44 and name O and segid UBI ) (resid  68 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  44 and name O and segid UBI ) (resid  68 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  68 and name O and segid UBI ) (resid  44 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  68 and name O and segid UBI ) (resid  44 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  70 and name O and segid UBI ) (resid  42 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  70 and name O and segid UBI ) (resid  42 and name N  and segid UBI ) 2.90 0.20 0.20
!beta3-4
assign (resid  43 and name O and segid UBI ) (resid  50 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  43 and name O and segid UBI ) (resid  50 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  45 and name O and segid UBI ) (resid  48 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  45 and name O and segid UBI ) (resid  48 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid  48 and name O and segid UBI ) (resid  45 and name HN and segid UBI ) 1.90 0.20 0.20
assign (resid  48 and name O and segid UBI ) (resid  45 and name N  and segid UBI ) 2.90 0.20 0.20
assign (resid 259 and name O and segid UIM ) (resid 263 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 259 and name O and segid UIM ) (resid 263 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 260 and name O and segid UIM ) (resid 264 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 260 and name O and segid UIM ) (resid 264 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 261 and name O and segid UIM ) (resid 265 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 261 and name O and segid UIM ) (resid 265 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 262 and name O and segid UIM ) (resid 266 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 262 and name O and segid UIM ) (resid 266 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 263 and name O and segid UIM ) (resid 267 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 263 and name O and segid UIM ) (resid 267 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 264 and name O and segid UIM ) (resid 268 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 264 and name O and segid UIM ) (resid 268 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 265 and name O and segid UIM ) (resid 269 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 265 and name O and segid UIM ) (resid 269 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 266 and name O and segid UIM ) (resid 270 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 266 and name O and segid UIM ) (resid 270 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 267 and name O and segid UIM ) (resid 271 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 267 and name O and segid UIM ) (resid 271 and name N  and segid UIM ) 2.90 0.20 0.20
assign (resid 268 and name O and segid UIM ) (resid 272 and name HN and segid UIM ) 1.90 0.20 0.20
assign (resid 268 and name O and segid UIM ) (resid 272 and name N  and segid UIM ) 2.90 0.20 0.20
 ASSI {    1}
   (( segid "UBI " and resid 3    and name HN  ))
   (( segid "UBI " and resid 2    and name HN  ))
      4.600     2.700     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.22221E-03 ppm1      8.932 ppm2      8.277 CV     1
 ASSI {    2}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 2    and name HN  ))
      3.000     1.100     1.100 peak     2 spectrum    1 weight  0.10000E+01 volume  0.15301E-02 ppm1      8.932 ppm2      5.248 CV     1
 ASSI {    3}
   (( segid "UBI " and resid 1    and name HA  ))
   (( segid "UBI " and resid 2    and name HN  ))
      2.400     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.54020E-02 ppm1      8.932 ppm2      4.191 CV     1
 ASSI {    4}
   (( segid "UBI " and resid 63   and name HA  ))
   (( segid "UBI " and resid 2    and name HN  ))
      4.400     2.400     1.600 peak     4 spectrum    1 weight  0.10000E+01 volume  0.18367E-03 ppm1      8.932 ppm2      3.944 CV     1
 ASSI {    5}
   (( segid "UBI " and resid 1    and name HG2 ))
   (( segid "UBI " and resid 2    and name HN  ))
      4.200     2.200     1.800 peak     5 spectrum    1 weight  0.10000E+01 volume  0.25288E-03 ppm1      8.938 ppm2      2.465 CV     1
 ASSI {    7}
   (( segid "UBI " and resid 1    and name HB2 ))
   (( segid "UBI " and resid 2    and name HN  ))
      2.800     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.31828E-02 ppm1      8.933 ppm2      1.998 CV     1
 OR {    7}
   (( segid "UBI " and resid 1    and name HG1 ))
   (( segid "UBI " and resid 2    and name HN  ))
 ASSI {    8}
   (( segid "UBI " and resid 2    and name HB2 ))
   (( segid "UBI " and resid 2    and name HN  ))
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.39128E-02 ppm1      8.932 ppm2      1.825 CV     1
 OR {    8}
   (( segid "UBI " and resid 2    and name HG2 ))
   (( segid "UBI " and resid 2    and name HN  ))
 ASSI {    9}
   (( segid "UBI " and resid 2    and name HB1 ))
   (( segid "UBI " and resid 2    and name HN  ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.15272E-02 ppm1      8.932 ppm2      1.593 CV     1
 ASSI {   10}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 2    and name HN  ))
      3.800     1.800     1.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.47889E-03 ppm1      8.933 ppm2      1.472 CV     1
 OR {   10}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 2    and name HN  ))
 ASSI {   12}
   (( segid "UBI " and resid 15   and name HN  ))
   (( segid "UBI " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.25141E-02 ppm1      8.286 ppm2      8.698 CV     1
 ASSI {   13}
   (( segid "UBI " and resid 4    and name HN  ))
   (( segid "UBI " and resid 3    and name HN  ))
      4.300     2.400     1.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.28003E-03 ppm1      8.288 ppm2      8.567 CV     1
 ASSI {   14}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 3    and name HN  ))
      2.100     0.600     0.600 peak    14 spectrum    1 weight  0.10000E+01 volume  0.99278E-02 ppm1      8.285 ppm2      5.249 CV     1
 ASSI {   15}
   (( segid "UBI " and resid 16   and name HA  ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.600     1.600     1.600 peak    15 spectrum    1 weight  0.10000E+01 volume  0.84680E-03 ppm1      8.288 ppm2      4.870 CV     1
 ASSI {   16}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 3    and name HN  ))
      2.900     1.100     1.100 peak    16 spectrum    1 weight  0.10000E+01 volume  0.15622E-02 ppm1      8.286 ppm2      4.124 CV     1
 ASSI {   18}
   (( segid "UBI " and resid 2    and name HB2 ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.500     1.500     1.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.10833E-02 ppm1      8.288 ppm2      1.842 CV     1
 OR {   18}
   (( segid "UBI " and resid 2    and name HG2 ))
   (( segid "UBI " and resid 3    and name HN  ))
 ASSI {   19}
   (( segid "UBI " and resid 3    and name HB  ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.800     1.800     1.800 peak    19 spectrum    1 weight  0.10000E+01 volume  0.55773E-03 ppm1      8.286 ppm2      1.731 CV     1
 ASSI {   20}
   (( segid "UBI " and resid 2    and name HB1 ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.300     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.11300E-02 ppm1      8.287 ppm2      1.595 CV     1
 ASSI {   21}
   (( segid "UBI " and resid 15   and name HB1 ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.400     1.400     1.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.81178E-03 ppm1      8.287 ppm2      1.338 CV     1
 ASSI {   22}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 3    and name HN  ))
      3.500     1.500     1.500 peak    22 spectrum    1 weight  0.10000E+01 volume  0.84680E-03 ppm1      8.289 ppm2      1.087 CV     1
 ASSI {   23}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 3    and name HN  ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16528E-02 ppm1      8.286 ppm2      1.013 CV     1
 ASSI {   24}
   (( segid "UBI " and resid 3    and name HG12))
   (( segid "UBI " and resid 3    and name HN  ))
      2.700     0.900     0.900 peak    24 spectrum    1 weight  0.10000E+01 volume  0.21258E-02 ppm1      8.285 ppm2      0.788 CV     1
 ASSI {   26}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 3    and name HN  ))
      3.100     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19564E-02 ppm1      8.286 ppm2      0.570 CV     1
 OR {   26}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 3    and name HN  ))
 ASSI {   27}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.46720E-03 ppm1      8.287 ppm2      0.400 CV     1
 ASSI {   29}
   (( segid "UBI " and resid 67   and name HN  ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak    29 spectrum    1 weight  0.10000E+01 volume  0.47012E-03 ppm1      8.580 ppm2      9.413 CV     1
 ASSI {   30}
   (  segid "UBI " and resid 4    and name HD% )
   (( segid "UBI " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.45260E-03 ppm1      8.580 ppm2      7.038 CV     1
 ASSI {   31}
   (( segid "UBI " and resid 4    and name HA  ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.12819E-02 ppm1      8.584 ppm2      5.570 CV     1
 ASSI {   32}
   (( segid "UBI " and resid 66   and name HA  ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.000     1.100     1.100 peak    32 spectrum    1 weight  0.10000E+01 volume  0.16439E-02 ppm1      8.584 ppm2      5.234 CV     1
 ASSI {   33}
   (( segid "UBI " and resid 18   and name HA  ))
   (( segid "UBI " and resid 18   and name HN  ))
      2.900     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.20440E-02 ppm1      8.583 ppm2      4.816 CV     1
 ASSI {   34}
   (( segid "UBI " and resid 17   and name HA  ))
   (( segid "UBI " and resid 18   and name HN  ))
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.50516E-02 ppm1      8.584 ppm2      4.660 CV     1
 ASSI {   36}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 4    and name HN  ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.57524E-02 ppm1      8.582 ppm2      4.122 CV     1
 ASSI {   37}
   (( segid "UBI " and resid 64   and name HA  ))
   (( segid "UBI " and resid 4    and name HN  ))
      4.300     2.300     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.24733E-03 ppm1      8.581 ppm2      3.329 CV     1
 ASSI {   38}
   (( segid "UBI " and resid 4    and name HB1 ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.300     1.300     1.300 peak    38 spectrum    1 weight  0.10000E+01 volume  0.32120E-02 ppm1      8.584 ppm2      2.993 CV     1
 ASSI {   39}
   (( segid "UBI " and resid 4    and name HB2 ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak    39 spectrum    1 weight  0.10000E+01 volume  0.95193E-03 ppm1      8.582 ppm2      2.821 CV     1
 ASSI {   40}
   (( segid "UBI " and resid 21   and name HB1 ))
   (( segid "UBI " and resid 18   and name HN  ))
      3.900     1.900     1.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.56357E-03 ppm1      8.579 ppm2      2.520 CV     1
 ASSI {   42}
   (( segid "UBI " and resid 18   and name HG2 ))
   (( segid "UBI " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak    42 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      8.582 ppm2      2.182 CV     1
 OR {   42}
   (( segid "UBI " and resid 18   and name HB1 ))
   (( segid "UBI " and resid 18   and name HN  ))
 ASSI {   43}
   (( segid "UBI " and resid 3    and name HB  ))
   (( segid "UBI " and resid 4    and name HN  ))
      2.300     0.700     0.700 peak    43 spectrum    1 weight  0.10000E+01 volume  0.68037E-02 ppm1      8.587 ppm2      1.732 CV     1
 ASSI {   44}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak    44 spectrum    1 weight  0.10000E+01 volume  0.58108E-02 ppm1      8.583 ppm2      1.639 CV     1
 ASSI {   46}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 4    and name HN  ))
      3.800     1.800     1.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.65700E-03 ppm1      8.582 ppm2      0.840 CV     1
 ASSI {   47}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 4    and name HN  ))
      3.100     1.200     1.200 peak    47 spectrum    1 weight  0.10000E+01 volume  0.23214E-02 ppm1      8.583 ppm2      0.572 CV     1
 OR {   47}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 4    and name HN  ))
 ASSI {   49}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak    49 spectrum    1 weight  0.10000E+01 volume  0.97822E-03 ppm1      8.584 ppm2      0.396 CV     1
 ASSI {   50}
   (( segid "UBI " and resid 13   and name HN  ))
   (( segid "UBI " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.16820E-02 ppm1      9.306 ppm2      9.583 CV     1
 ASSI {   52}
   (( segid "UBI " and resid 15   and name HN  ))
   (( segid "UBI " and resid 5    and name HN  ))
      4.000     2.000     2.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.47304E-03 ppm1      9.310 ppm2      8.689 CV     1
 ASSI {   53}
   (( segid "UBI " and resid 4    and name HA  ))
   (( segid "UBI " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.63072E-02 ppm1      9.304 ppm2      5.568 CV     1
 ASSI {   54}
   (( segid "UBI " and resid 14   and name HA  ))
   (( segid "UBI " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak    54 spectrum    1 weight  0.10000E+01 volume  0.64241E-03 ppm1      9.306 ppm2      4.906 CV     1
 ASSI {   55}
   (( segid "UBI " and resid 4    and name HB1 ))
   (( segid "UBI " and resid 5    and name HN  ))
      3.700     1.700     1.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.44384E-03 ppm1      9.309 ppm2      2.996 CV     1
 ASSI {   56}
   (( segid "UBI " and resid 4    and name HB2 ))
   (( segid "UBI " and resid 5    and name HN  ))
      3.600     1.700     1.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.13403E-02 ppm1      9.307 ppm2      2.818 CV     1
 ASSI {   57}
   (( segid "UBI " and resid 5    and name HB  ))
   (( segid "UBI " and resid 5    and name HN  ))
      2.500     0.800     0.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.48181E-02 ppm1      9.305 ppm2      1.866 CV     1
 ASSI {   61}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 5    and name HN  ))
      2.800     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.28207E-02 ppm1      9.304 ppm2      0.684 CV     1
 ASSI {   62}
   (( segid "UBI " and resid 67   and name HN  ))
   (( segid "UBI " and resid 6    and name HN  ))
      3.500     1.500     1.500 peak    62 spectrum    1 weight  0.10000E+01 volume  0.71248E-03 ppm1      8.930 ppm2      9.419 CV     1
 ASSI {   63}
   (( segid "UBI " and resid 5    and name HN  ))
   (( segid "UBI " and resid 6    and name HN  ))
      4.500     2.500     1.500 peak    63 spectrum    1 weight  0.10000E+01 volume  0.25229E-03 ppm1      8.924 ppm2      9.304 CV     1
 ASSI {   65}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 6    and name HN  ))
      3.100     1.200     1.200 peak    65 spectrum    1 weight  0.10000E+01 volume  0.11972E-02 ppm1      8.928 ppm2      5.337 CV     1
 ASSI {   66}
   (( segid "UBI " and resid 68   and name HA  ))
   (( segid "UBI " and resid 6    and name HN  ))
      2.900     1.100     1.100 peak    66 spectrum    1 weight  0.10000E+01 volume  0.18338E-02 ppm1      8.931 ppm2      5.129 CV     1
 ASSI {   67}
   (( segid "UBI " and resid 5    and name HB  ))
   (( segid "UBI " and resid 6    and name HN  ))
      4.500     2.500     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.26017E-03 ppm1      8.929 ppm2      1.859 CV     1
 ASSI {   68}
   (( segid "UBI " and resid 6    and name HB1 ))
   (( segid "UBI " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.20586E-02 ppm1      8.929 ppm2      1.605 CV     1
 ASSI {   69}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 6    and name HN  ))
      2.800     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.25317E-02 ppm1      8.931 ppm2      1.281 CV     1
 ASSI {   70}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HN  ))
      3.200     1.200     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      8.930 ppm2      0.849 CV     1
 ASSI {   71}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.21491E-02 ppm1      8.932 ppm2      0.659 CV     1
 OR {   71}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 6    and name HN  ))
 ASSI {   72}
   (( segid "UBI " and resid 6    and name HN  ))
   (( segid "UBI " and resid 7    and name HN  ))
      4.000     2.000     2.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.53144E-03 ppm1      8.701 ppm2      8.950 CV     1
 ASSI {   74}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 7    and name HN  ))
      2.200     0.600     0.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.89063E-02 ppm1      8.705 ppm2      5.334 CV     1
 ASSI {   76}
   (( segid "UBI " and resid 7    and name HB  ))
   (( segid "UBI " and resid 7    and name HN  ))
      3.600     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.73293E-03 ppm1      8.705 ppm2      4.776 CV     1
 ASSI {   77}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 7    and name HN  ))
      3.600     1.600     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.49932E-03 ppm1      8.701 ppm2      1.782 CV     1
 ASSI {   78}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 7    and name HN  ))
      3.900     1.900     1.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      8.706 ppm2      1.436 CV     1
 ASSI {   79}
   (( segid "UBI " and resid 6    and name HB1 ))
   (( segid "UBI " and resid 7    and name HN  ))
      3.400     1.500     1.500 peak    79 spectrum    1 weight  0.10000E+01 volume  0.12351E-02 ppm1      8.700 ppm2      1.615 CV     1
 ASSI {   80}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 7    and name HN  ))
      2.600     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.37084E-02 ppm1      8.706 ppm2      1.152 CV     1
 ASSI {   82}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 7    and name HN  ))
      3.800     1.800     1.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.42048E-03 ppm1      8.704 ppm2      0.665 CV     1
 OR {   82}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 7    and name HN  ))
 ASSI {   84}
   (( segid "UBI " and resid 7    and name HA  ))
   (( segid "UBI " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    84 spectrum    1 weight  0.10000E+01 volume  0.29784E-02 ppm1      9.247 ppm2      5.001 CV     1
 ASSI {   85}
   (( segid "UBI " and resid 8    and name HA  ))
   (( segid "UBI " and resid 8    and name HN  ))
      3.100     1.200     1.200 peak    85 spectrum    1 weight  0.10000E+01 volume  0.12118E-02 ppm1      9.247 ppm2      4.293 CV     1
 ASSI {   86}
   (( segid "UBI " and resid 8    and name HG  ))
   (( segid "UBI " and resid 8    and name HN  ))
      2.600     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.52269E-02 ppm1      9.246 ppm2      1.886 CV     1
 OR {   86}
   (( segid "UBI " and resid 8    and name HB1 ))
   (( segid "UBI " and resid 8    and name HN  ))
 ASSI {   87}
   (( segid "UBI " and resid 8    and name HB2 ))
   (( segid "UBI " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      9.244 ppm2      1.751 CV     1
 ASSI {   88}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 8    and name HN  ))
      4.400     2.400     1.600 peak    88 spectrum    1 weight  0.10000E+01 volume  0.43509E-03 ppm1      9.246 ppm2      1.155 CV     1
 ASSI {   89}
   (  segid "UBI " and resid 8    and name HD2%)
   (( segid "UBI " and resid 8    and name HN  ))
      4.200     2.200     1.800 peak    89 spectrum    1 weight  0.10000E+01 volume  0.27419E-03 ppm1      9.245 ppm2      0.923 CV     1
 ASSI {   90}
   (( segid "UBI " and resid 8    and name HN  ))
   (( segid "UBI " and resid 9    and name HN  ))
      3.100     1.200     1.200 peak    90 spectrum    1 weight  0.10000E+01 volume  0.13841E-02 ppm1      7.631 ppm2      9.245 CV     1
 ASSI {   91}
   (( segid "UBI " and resid 10   and name HN  ))
   (( segid "UBI " and resid 9    and name HN  ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.50224E-02 ppm1      7.629 ppm2      7.779 CV     1
 ASSI {   93}
   (( segid "UBI " and resid 7    and name HA  ))
   (( segid "UBI " and resid 9    and name HN  ))
      4.600     2.700     1.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.19593E-03 ppm1      7.634 ppm2      5.004 CV     1
 ASSI {   94}
   (( segid "UBI " and resid 9    and name HB  ))
   (( segid "UBI " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.28821E-03 ppm1      7.632 ppm2      4.563 CV     1
 ASSI {   95}
   (( segid "UBI " and resid 9    and name HA  ))
   (( segid "UBI " and resid 9    and name HN  ))
      3.200     1.300     1.300 peak    95 spectrum    1 weight  0.10000E+01 volume  0.12673E-02 ppm1      7.630 ppm2      4.395 CV     1
 ASSI {   96}
   (( segid "UBI " and resid 8    and name HA  ))
   (( segid "UBI " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak    96 spectrum    1 weight  0.10000E+01 volume  0.76504E-03 ppm1      7.633 ppm2      4.294 CV     1
 ASSI {   97}
   (( segid "UBI " and resid 10   and name HA1 ))
   (( segid "UBI " and resid 9    and name HN  ))
      5.700     4.000     0.300 peak    97 spectrum    1 weight  0.10000E+01 volume  0.73001E-04 ppm1      7.633 ppm2      3.577 CV     1
 ASSI {   98}
   (( segid "UBI " and resid 8    and name HB1 ))
   (( segid "UBI " and resid 9    and name HN  ))
      3.700     1.700     1.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.60445E-03 ppm1      7.628 ppm2      1.906 CV     1
 ASSI {   99}
   (( segid "UBI " and resid 8    and name HB2 ))
   (( segid "UBI " and resid 9    and name HN  ))
      3.600     1.600     1.600 peak    99 spectrum    1 weight  0.10000E+01 volume  0.48472E-03 ppm1      7.634 ppm2      1.747 CV     1
 ASSI {  100}
   (  segid "UBI " and resid 9    and name HG2%)
   (( segid "UBI " and resid 9    and name HN  ))
      3.000     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.20382E-02 ppm1      7.630 ppm2      1.223 CV     1
 ASSI {  102}
   (( segid "UBI " and resid 7    and name HN  ))
   (( segid "UBI " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak   102 spectrum    1 weight  0.10000E+01 volume  0.23827E-03 ppm1      7.776 ppm2      8.706 CV     1
 ASSI {  103}
   (( segid "UBI " and resid 11   and name HN  ))
   (( segid "UBI " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.35333E-02 ppm1      7.780 ppm2      7.308 CV     1
 ASSI {  104}
   (( segid "UBI " and resid 9    and name HB  ))
   (( segid "UBI " and resid 10   and name HN  ))
      4.500     2.500     1.500 peak   104 spectrum    1 weight  0.10000E+01 volume  0.16381E-03 ppm1      7.784 ppm2      4.565 CV     1
 ASSI {  105}
   (( segid "UBI " and resid 9    and name HA  ))
   (( segid "UBI " and resid 10   and name HN  ))
      3.000     1.200     1.200 peak   105 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      7.781 ppm2      4.397 CV     1
 ASSI {  106}
   (( segid "UBI " and resid 10   and name HA2 ))
   (( segid "UBI " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak   106 spectrum    1 weight  0.10000E+01 volume  0.37668E-02 ppm1      7.780 ppm2      4.297 CV     1
 ASSI {  107}
   (( segid "UBI " and resid 10   and name HA1 ))
   (( segid "UBI " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.59276E-02 ppm1      7.779 ppm2      3.590 CV     1
 ASSI {  108}
   (( segid "UBI " and resid 6    and name HE1 ))
   (( segid "UBI " and resid 10   and name HN  ))
      5.000     3.100     1.000 peak   108 spectrum    1 weight  0.10000E+01 volume  0.87308E-04 ppm1      7.781 ppm2      2.847 CV     1
 OR {  108}
   (( segid "UBI " and resid 6    and name HE2 ))
   (( segid "UBI " and resid 10   and name HN  ))
 ASSI {  110}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 10   and name HN  ))
      4.500     2.600     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.22980E-03 ppm1      7.780 ppm2      1.660 CV     1
 ASSI {  112}
   (  segid "UBI " and resid 9    and name HG2%)
   (( segid "UBI " and resid 10   and name HN  ))
      3.900     1.900     1.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.41464E-03 ppm1      7.780 ppm2      1.217 CV     1
 ASSI {  113}
   (( segid "UBI " and resid 7    and name HN  ))
   (( segid "UBI " and resid 11   and name HN  ))
      3.100     1.200     1.200 peak   113 spectrum    1 weight  0.10000E+01 volume  0.14483E-02 ppm1      7.310 ppm2      8.711 CV     1
 ASSI {  115}
   (( segid "UBI " and resid 9    and name HN  ))
   (( segid "UBI " and resid 11   and name HN  ))
      3.700     1.800     1.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.80297E-03 ppm1      7.306 ppm2      7.630 CV     1
 ASSI {  117}
   (( segid "UBI " and resid 10   and name HA1 ))
   (( segid "UBI " and resid 11   and name HN  ))
      3.400     1.500     1.500 peak   117 spectrum    1 weight  0.10000E+01 volume  0.94021E-03 ppm1      7.309 ppm2      3.591 CV     1
 ASSI {  118}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   118 spectrum    1 weight  0.10000E+01 volume  0.43509E-02 ppm1      7.309 ppm2      1.778 CV     1
 ASSI {  119}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.50516E-02 ppm1      7.308 ppm2      1.674 CV     1
 ASSI {  120}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HN  ))
      3.900     1.900     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.62780E-03 ppm1      7.310 ppm2      1.373 CV     1
 ASSI {  122}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   122 spectrum    1 weight  0.10000E+01 volume  0.94021E-03 ppm1      7.310 ppm2      1.154 CV     1
 ASSI {  123}
   (( segid "UBI " and resid 12   and name HA  ))
   (( segid "UBI " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   123 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      8.636 ppm2      5.007 CV     1
 ASSI {  124}
   (( segid "UBI " and resid 11   and name HA  ))
   (( segid "UBI " and resid 12   and name HN  ))
      2.200     0.600     0.600 peak   124 spectrum    1 weight  0.10000E+01 volume  0.91400E-02 ppm1      8.635 ppm2      4.335 CV     1
 ASSI {  125}
   (( segid "UBI " and resid 12   and name HB  ))
   (( segid "UBI " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   125 spectrum    1 weight  0.10000E+01 volume  0.31536E-02 ppm1      8.636 ppm2      3.908 CV     1
 ASSI {  126}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   126 spectrum    1 weight  0.10000E+01 volume  0.88772E-03 ppm1      8.637 ppm2      1.679 CV     1
 ASSI {  127}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   127 spectrum    1 weight  0.10000E+01 volume  0.89937E-03 ppm1      8.631 ppm2      1.373 CV     1
 ASSI {  128}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   128 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      8.632 ppm2      1.784 CV     1
 ASSI {  130}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.52269E-03 ppm1      8.638 ppm2      1.038 CV     1
 ASSI {  132}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 13   and name HN  ))
      4.200     2.200     1.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.44968E-03 ppm1      9.581 ppm2      5.335 CV     1
 ASSI {  133}
   (( segid "UBI " and resid 12   and name HA  ))
   (( segid "UBI " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   133 spectrum    1 weight  0.10000E+01 volume  0.55773E-02 ppm1      9.581 ppm2      5.005 CV     1
 ASSI {  134}
   (( segid "UBI " and resid 13   and name HA  ))
   (( segid "UBI " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.76795E-03 ppm1      9.580 ppm2      4.450 CV     1
 ASSI {  135}
   (( segid "UBI " and resid 12   and name HB  ))
   (( segid "UBI " and resid 13   and name HN  ))
      4.900     3.000     1.100 peak   135 spectrum    1 weight  0.10000E+01 volume  0.12673E-03 ppm1      9.578 ppm2      3.899 CV     1
 ASSI {  136}
   (( segid "UBI " and resid 13   and name HB  ))
   (( segid "UBI " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.23740E-02 ppm1      9.582 ppm2      1.828 CV     1
 ASSI {  137}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 13   and name HN  ))
      3.100     1.200     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.13783E-02 ppm1      9.580 ppm2      1.412 CV     1
 ASSI {  140}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.51685E-03 ppm1      9.578 ppm2      0.835 CV     1
 ASSI {  142}
   (( segid "UBI " and resid 13   and name HN  ))
   (( segid "UBI " and resid 14   and name HN  ))
      4.700     2.800     1.300 peak   142 spectrum    1 weight  0.10000E+01 volume  0.18455E-03 ppm1      8.742 ppm2      9.576 CV     1
 ASSI {  143}
   (( segid "UBI " and resid 14   and name HA  ))
   (( segid "UBI " and resid 14   and name HN  ))
      3.100     1.200     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.11476E-02 ppm1      8.745 ppm2      4.915 CV     1
 ASSI {  144}
   (( segid "UBI " and resid 13   and name HA  ))
   (( segid "UBI " and resid 14   and name HN  ))
      2.200     0.600     0.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.78259E-02 ppm1      8.743 ppm2      4.447 CV     1
 ASSI {  145}
   (( segid "UBI " and resid 14   and name HB  ))
   (( segid "UBI " and resid 14   and name HN  ))
      2.600     0.900     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      8.744 ppm2      4.002 CV     1
 ASSI {  146}
   (( segid "UBI " and resid 13   and name HB  ))
   (( segid "UBI " and resid 14   and name HN  ))
      3.500     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.14892E-02 ppm1      8.743 ppm2      1.819 CV     1
 ASSI {  147}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 14   and name HN  ))
      4.800     2.900     1.200 peak   147 spectrum    1 weight  0.10000E+01 volume  0.25930E-03 ppm1      8.744 ppm2      1.405 CV     1
 ASSI {  149}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 14   and name HN  ))
      2.900     1.000     1.000 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18805E-02 ppm1      8.743 ppm2      0.840 CV     1
 ASSI {  150}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 14   and name HN  ))
      4.200     2.200     1.800 peak   150 spectrum    1 weight  0.10000E+01 volume  0.59861E-03 ppm1      8.740 ppm2      0.692 CV     1
 ASSI {  152}
   (( segid "UBI " and resid 16   and name HN  ))
   (( segid "UBI " and resid 15   and name HN  ))
      4.100     2.100     1.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.37084E-03 ppm1      8.694 ppm2      8.105 CV     1
 ASSI {  153}
   (( segid "UBI " and resid 4    and name HA  ))
   (( segid "UBI " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.52269E-03 ppm1      8.693 ppm2      5.569 CV     1
 ASSI {  154}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 15   and name HN  ))
      4.000     2.000     2.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.43216E-03 ppm1      8.697 ppm2      5.249 CV     1
 ASSI {  155}
   (( segid "UBI " and resid 14   and name HA  ))
   (( segid "UBI " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak   155 spectrum    1 weight  0.10000E+01 volume  0.70664E-02 ppm1      8.695 ppm2      4.917 CV     1
 ASSI {  156}
   (( segid "UBI " and resid 14   and name HB  ))
   (( segid "UBI " and resid 15   and name HN  ))
      4.200     2.200     1.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.39421E-03 ppm1      8.696 ppm2      4.004 CV     1
 ASSI {  158}
   (( segid "UBI " and resid 15   and name HB1 ))
   (( segid "UBI " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   158 spectrum    1 weight  0.10000E+01 volume  0.36792E-02 ppm1      8.695 ppm2      1.342 CV     1
 ASSI {  159}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 15   and name HN  ))
      2.800     1.000     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.25288E-02 ppm1      8.695 ppm2      1.093 CV     1
 ASSI {  160}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 15   and name HN  ))
      3.400     1.500     1.500 peak   160 spectrum    1 weight  0.10000E+01 volume  0.75630E-03 ppm1      8.692 ppm2      1.006 CV     1
 ASSI {  161}
   (( segid "UBI " and resid 15   and name HB2 ))
   (( segid "UBI " and resid 15   and name HN  ))
      3.100     1.200     1.200 peak   161 spectrum    1 weight  0.10000E+01 volume  0.13345E-02 ppm1      8.696 ppm2      1.181 CV     1
 ASSI {  164}
   (( segid "UBI " and resid 17   and name HN  ))
   (( segid "UBI " and resid 16   and name HN  ))
      4.300     2.300     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      8.102 ppm2      8.929 CV     1
 ASSI {  166}
   (( segid "UBI " and resid 16   and name HA  ))
   (( segid "UBI " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   166 spectrum    1 weight  0.10000E+01 volume  0.22776E-02 ppm1      8.100 ppm2      4.855 CV     1
 ASSI {  167}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.48472E-03 ppm1      8.101 ppm2      2.195 CV     1
 ASSI {  168}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 16   and name HN  ))
      3.800     1.800     1.800 peak   168 spectrum    1 weight  0.10000E+01 volume  0.69205E-03 ppm1      8.103 ppm2      2.041 CV     1
 ASSI {  169}
   (( segid "UBI " and resid 16   and name HB1 ))
   (( segid "UBI " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   169 spectrum    1 weight  0.10000E+01 volume  0.42924E-02 ppm1      8.105 ppm2      1.874 CV     1
 ASSI {  170}
   (( segid "UBI " and resid 16   and name HB2 ))
   (( segid "UBI " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.43216E-02 ppm1      8.104 ppm2      1.784 CV     1
 ASSI {  171}
   (( segid "UBI " and resid 15   and name HB1 ))
   (( segid "UBI " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14454E-02 ppm1      8.105 ppm2      1.343 CV     1
 ASSI {  172}
   (( segid "UBI " and resid 15   and name HB2 ))
   (( segid "UBI " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   172 spectrum    1 weight  0.10000E+01 volume  0.23214E-02 ppm1      8.102 ppm2      1.170 CV     1
 ASSI {  174}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.600     1.600     1.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.61612E-03 ppm1      8.929 ppm2      5.249 CV     1
 ASSI {  175}
   (( segid "UBI " and resid 16   and name HA  ))
   (( segid "UBI " and resid 17   and name HN  ))
      2.200     0.600     0.600 peak   175 spectrum    1 weight  0.10000E+01 volume  0.75630E-02 ppm1      8.931 ppm2      4.860 CV     1
 ASSI {  177}
   (( segid "UBI " and resid 17   and name HA  ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   177 spectrum    1 weight  0.10000E+01 volume  0.14600E-02 ppm1      8.935 ppm2      4.659 CV     1
 ASSI {  178}
   (( segid "UBI " and resid 1    and name HG2 ))
   (( segid "UBI " and resid 17   and name HN  ))
      4.700     2.800     1.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.11417E-03 ppm1      8.930 ppm2      2.473 CV     1
 ASSI {  179}
   (( segid "UBI " and resid 17   and name HB  ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.40588E-03 ppm1      8.928 ppm2      2.320 CV     1
 ASSI {  180}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak   180 spectrum    1 weight  0.10000E+01 volume  0.25871E-03 ppm1      8.933 ppm2      2.194 CV     1
 ASSI {  181}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.400     1.500     1.500 peak   181 spectrum    1 weight  0.10000E+01 volume  0.90519E-03 ppm1      8.932 ppm2      2.031 CV     1
 ASSI {  182}
   (( segid "UBI " and resid 16   and name HB1 ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.50516E-03 ppm1      8.932 ppm2      1.872 CV     1
 ASSI {  183}
   (( segid "UBI " and resid 16   and name HB2 ))
   (( segid "UBI " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   183 spectrum    1 weight  0.10000E+01 volume  0.54604E-03 ppm1      8.927 ppm2      1.782 CV     1
 ASSI {  185}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 17   and name HN  ))
      3.000     1.100     1.100 peak   185 spectrum    1 weight  0.10000E+01 volume  0.16820E-02 ppm1      8.931 ppm2      0.670 CV     1
 ASSI {  186}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 17   and name HN  ))
      3.900     1.900     1.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.41756E-03 ppm1      8.928 ppm2      0.562 CV     1
 OR {  186}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 17   and name HN  ))
 ASSI {  187}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.39421E-02 ppm1      8.933 ppm2      0.392 CV     1
 ASSI {  189}
   (( segid "UBI " and resid 18   and name HA  ))
   (( segid "UBI " and resid 19   and name HN  ))
      2.300     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.65700E-02 ppm1      9.266 ppm2      4.815 CV     1
 ASSI {  190}
   (( segid "UBI " and resid 19   and name HA  ))
   (( segid "UBI " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.47597E-02 ppm1      9.264 ppm2      3.890 CV     1
 OR {  190}
   (( segid "UBI " and resid 19   and name HB1 ))
   (( segid "UBI " and resid 19   and name HN  ))
 OR {  190}
   (( segid "UBI " and resid 19   and name HB2 ))
   (( segid "UBI " and resid 19   and name HN  ))
 ASSI {  191}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 19   and name HN  ))
      4.400     2.500     1.600 peak   191 spectrum    1 weight  0.10000E+01 volume  0.28616E-03 ppm1      9.264 ppm2      2.312 CV     1
 ASSI {  192}
   (( segid "UBI " and resid 18   and name HB1 ))
   (( segid "UBI " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   192 spectrum    1 weight  0.10000E+01 volume  0.22192E-02 ppm1      9.265 ppm2      2.164 CV     1
 ASSI {  193}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 19   and name HN  ))
      3.400     1.500     1.500 peak   193 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      9.264 ppm2      1.651 CV     1
 ASSI {  194}
   (( segid "UBI " and resid 19   and name HN  ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.900     1.000     1.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.21024E-02 ppm1      7.281 ppm2      9.265 CV     1
 ASSI {  195}
   (( segid "UBI " and resid 21   and name HN  ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.600     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.40004E-02 ppm1      7.281 ppm2      7.844 CV     1
 ASSI {  196}
   (( segid "UBI " and resid 18   and name HA  ))
   (( segid "UBI " and resid 20   and name HN  ))
      4.000     2.000     2.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      7.282 ppm2      4.831 CV     1
 ASSI {  197}
   (( segid "UBI " and resid 20   and name HA  ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   197 spectrum    1 weight  0.10000E+01 volume  0.21345E-02 ppm1      7.282 ppm2      4.376 CV     1
 ASSI {  198}
   (( segid "UBI " and resid 20   and name HB2 ))
   (( segid "UBI " and resid 20   and name HN  ))
      3.200     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      7.283 ppm2      4.131 CV     1
 ASSI {  199}
   (( segid "UBI " and resid 19   and name HB1 ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.25317E-02 ppm1      7.280 ppm2      3.889 CV     1
 OR {  199}
   (( segid "UBI " and resid 19   and name HB2 ))
   (( segid "UBI " and resid 20   and name HN  ))
 OR {  199}
   (( segid "UBI " and resid 19   and name HA  ))
   (( segid "UBI " and resid 20   and name HN  ))
 ASSI {  200}
   (( segid "UBI " and resid 20   and name HB1 ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.800     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.27565E-02 ppm1      7.281 ppm2      3.742 CV     1
 ASSI {  201}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 20   and name HN  ))
      4.400     2.400     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.26309E-03 ppm1      7.282 ppm2      2.917 CV     1
 ASSI {  202}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.40880E-03 ppm1      7.281 ppm2      2.310 CV     1
 ASSI {  203}
   (( segid "UBI " and resid 18   and name HB1 ))
   (( segid "UBI " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.32996E-02 ppm1      7.283 ppm2      2.165 CV     1
 ASSI {  204}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 20   and name HN  ))
      3.000     1.100     1.100 peak   204 spectrum    1 weight  0.10000E+01 volume  0.21316E-02 ppm1      7.281 ppm2      1.645 CV     1
 ASSI {  206}
   (( segid "UBI " and resid 56   and name HN  ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.700     1.700     1.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.49640E-03 ppm1      7.846 ppm2      8.186 CV     1
 ASSI {  207}
   (( segid "UBI " and resid 18   and name HN  ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.800     1.800     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.55188E-03 ppm1      7.847 ppm2      8.582 CV     1
 ASSI {  208}
   (( segid "UBI " and resid 19   and name HN  ))
   (( segid "UBI " and resid 21   and name HN  ))
      4.400     2.500     1.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.21141E-03 ppm1      7.838 ppm2      9.258 CV     1
 ASSI {  210}
   (( segid "UBI " and resid 21   and name HA  ))
   (( segid "UBI " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak   210 spectrum    1 weight  0.10000E+01 volume  0.19973E-02 ppm1      7.848 ppm2      4.651 CV     1
 ASSI {  211}
   (( segid "UBI " and resid 20   and name HA  ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   211 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      7.846 ppm2      4.371 CV     1
 ASSI {  212}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.40296E-03 ppm1      7.846 ppm2      4.484 CV     1
 ASSI {  213}
   (( segid "UBI " and resid 19   and name HA  ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.65408E-03 ppm1      7.848 ppm2      3.915 CV     1
 OR {  213}
   (( segid "UBI " and resid 19   and name HB2 ))
   (( segid "UBI " and resid 21   and name HN  ))
 ASSI {  214}
   (( segid "UBI " and resid 20   and name HB2 ))
   (( segid "UBI " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.27652E-03 ppm1      7.847 ppm2      4.132 CV     1
 ASSI {  215}
   (( segid "UBI " and resid 20   and name HB1 ))
   (( segid "UBI " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak   215 spectrum    1 weight  0.10000E+01 volume  0.28324E-03 ppm1      7.846 ppm2      3.747 CV     1
 ASSI {  216}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 21   and name HN  ))
      2.400     0.700     0.700 peak   216 spectrum    1 weight  0.10000E+01 volume  0.59861E-02 ppm1      7.847 ppm2      2.930 CV     1
 ASSI {  217}
   (( segid "UBI " and resid 21   and name HB1 ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      7.847 ppm2      2.520 CV     1
 ASSI {  219}
   (( segid "UBI " and resid 18   and name HB1 ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.75922E-03 ppm1      7.847 ppm2      2.162 CV     1
 ASSI {  220}
   (( segid "UBI " and resid 56   and name HB2 ))
   (( segid "UBI " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.13315E-03 ppm1      7.849 ppm2      2.045 CV     1
 ASSI {  221}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   221 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      7.845 ppm2      1.655 CV     1
 ASSI {  225}
   (( segid "UBI " and resid 25   and name HD21))
   (( segid "UBI " and resid 22   and name HN  ))
      4.200     2.200     1.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.20177E-03 ppm1      7.976 ppm2      6.895 CV     1
 ASSI {  226}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 22   and name HN  ))
      4.500     2.600     1.500 peak   226 spectrum    1 weight  0.10000E+01 volume  0.19885E-03 ppm1      7.979 ppm2      5.160 CV     1
 ASSI {  227}
   (( segid "UBI " and resid 22   and name HA  ))
   (( segid "UBI " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   227 spectrum    1 weight  0.10000E+01 volume  0.14541E-02 ppm1      7.974 ppm2      4.938 CV     1
 ASSI {  228}
   (( segid "UBI " and resid 21   and name HA  ))
   (( segid "UBI " and resid 22   and name HN  ))
      2.300     0.600     0.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.81469E-02 ppm1      7.974 ppm2      4.655 CV     1
 ASSI {  230}
   (( segid "UBI " and resid 25   and name HB1 ))
   (( segid "UBI " and resid 22   and name HN  ))
      2.800     1.000     1.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.23039E-02 ppm1      7.973 ppm2      3.183 CV     1
 ASSI {  231}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      7.973 ppm2      2.932 CV     1
 ASSI {  232}
   (( segid "UBI " and resid 25   and name HB2 ))
   (( segid "UBI " and resid 22   and name HN  ))
      3.000     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.15447E-02 ppm1      7.974 ppm2      2.868 CV     1
 ASSI {  233}
   (( segid "UBI " and resid 21   and name HB1 ))
   (( segid "UBI " and resid 22   and name HN  ))
      3.000     1.200     1.200 peak   233 spectrum    1 weight  0.10000E+01 volume  0.19418E-02 ppm1      7.974 ppm2      2.523 CV     1
 ASSI {  234}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.36500E-02 ppm1      7.972 ppm2      1.226 CV     1
 ASSI {  235}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.42924E-03 ppm1      7.975 ppm2      1.120 CV     1
 ASSI {  236}
   (( segid "UBI " and resid 24   and name HN  ))
   (( segid "UBI " and resid 23   and name HN  ))
      3.000     1.100     1.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.12906E-02 ppm1      8.675 ppm2      9.416 CV     1
 ASSI {  239}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 23   and name HN  ))
      3.500     1.500     1.500 peak   239 spectrum    1 weight  0.10000E+01 volume  0.10366E-02 ppm1      8.676 ppm2      5.169 CV     1
 ASSI {  240}
   (( segid "UBI " and resid 22   and name HA  ))
   (( segid "UBI " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   240 spectrum    1 weight  0.10000E+01 volume  0.44092E-02 ppm1      8.676 ppm2      4.939 CV     1
 ASSI {  241}
   (( segid "UBI " and resid 48   and name HA  ))
   (( segid "UBI " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   241 spectrum    1 weight  0.10000E+01 volume  0.92565E-02 ppm1      8.630 ppm2      4.596 CV     1
 ASSI {  242}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 23   and name HN  ))
      4.700     2.800     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.35041E-03 ppm1      8.673 ppm2      4.285 CV     1
 ASSI {  243}
   (( segid "UBI " and resid 23   and name HA  ))
   (( segid "UBI " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   243 spectrum    1 weight  0.10000E+01 volume  0.10279E-02 ppm1      8.676 ppm2      3.590 CV     1
 ASSI {  244}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.32996E-02 ppm1      8.675 ppm2      2.449 CV     1
 ASSI {  245}
   (( segid "UBI " and resid 23   and name HG12))
   (( segid "UBI " and resid 23   and name HN  ))
      2.300     0.700     0.700 peak   245 spectrum    1 weight  0.10000E+01 volume  0.53436E-02 ppm1      8.630 ppm2      1.839 CV     1
 ASSI {  248}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 23   and name HN  ))
      3.700     1.800     1.800 peak   248 spectrum    1 weight  0.10000E+01 volume  0.86726E-03 ppm1      8.675 ppm2      0.733 CV     1
 ASSI {  249}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak   249 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      8.673 ppm2      0.542 CV     1
 ASSI {  252}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 24   and name HN  ))
      3.800     1.800     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.54312E-03 ppm1      9.418 ppm2      4.294 CV     1
 ASSI {  253}
   (( segid "UBI " and resid 24   and name HA  ))
   (( segid "UBI " and resid 24   and name HN  ))
      3.300     1.300     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.98113E-03 ppm1      9.421 ppm2      4.166 CV     1
 ASSI {  254}
   (( segid "UBI " and resid 24   and name HB1 ))
   (( segid "UBI " and resid 24   and name HN  ))
      2.900     1.100     1.100 peak   254 spectrum    1 weight  0.10000E+01 volume  0.20177E-02 ppm1      9.417 ppm2      2.582 CV     1
 OR {  254}
   (( segid "UBI " and resid 24   and name HB2 ))
   (( segid "UBI " and resid 24   and name HN  ))
 ASSI {  255}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 24   and name HN  ))
      3.200     1.300     1.300 peak   255 spectrum    1 weight  0.10000E+01 volume  0.84971E-03 ppm1      9.418 ppm2      2.450 CV     1
 ASSI {  256}
   (( segid "UBI " and resid 24   and name HN  ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.900     1.100     1.100 peak   256 spectrum    1 weight  0.10000E+01 volume  0.16790E-02 ppm1      8.009 ppm2      9.416 CV     1
 ASSI {  257}
   (( segid "UBI " and resid 23   and name HN  ))
   (( segid "UBI " and resid 25   and name HN  ))
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.19126E-03 ppm1      8.007 ppm2      8.677 CV     1
 ASSI {  258}
   (( segid "UBI " and resid 27   and name HN  ))
   (( segid "UBI " and resid 25   and name HN  ))
      4.100     2.100     1.900 peak   258 spectrum    1 weight  0.10000E+01 volume  0.29492E-03 ppm1      8.011 ppm2      8.540 CV     1
 ASSI {  259}
   (( segid "UBI " and resid 26   and name HN  ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.79132E-02 ppm1      8.010 ppm2      8.120 CV     1
 ASSI {  260}
   (( segid "UBI " and resid 25   and name HD22))
   (( segid "UBI " and resid 25   and name HN  ))
      4.000     2.000     2.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.90810E-03 ppm1      8.009 ppm2      7.832 CV     1
 ASSI {  262}
   (( segid "UBI " and resid 25   and name HA  ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.900     1.000     1.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.21637E-02 ppm1      8.010 ppm2      4.462 CV     1
 ASSI {  263}
   (( segid "UBI " and resid 24   and name HA  ))
   (( segid "UBI " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.65992E-03 ppm1      8.009 ppm2      4.164 CV     1
 ASSI {  264}
   (( segid "UBI " and resid 23   and name HA  ))
   (( segid "UBI " and resid 25   and name HN  ))
      4.300     2.300     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.19652E-03 ppm1      8.010 ppm2      3.587 CV     1
 ASSI {  265}
   (( segid "UBI " and resid 25   and name HB1 ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak   265 spectrum    1 weight  0.10000E+01 volume  0.41172E-02 ppm1      8.010 ppm2      3.178 CV     1
 ASSI {  266}
   (( segid "UBI " and resid 25   and name HB2 ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.800     1.000     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.24441E-02 ppm1      8.011 ppm2      2.858 CV     1
 ASSI {  267}
   (( segid "UBI " and resid 24   and name HB1 ))
   (( segid "UBI " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.37668E-02 ppm1      8.011 ppm2      2.583 CV     1
 OR {  267}
   (( segid "UBI " and resid 24   and name HB2 ))
   (( segid "UBI " and resid 25   and name HN  ))
 ASSI {  268}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 25   and name HN  ))
      4.600     2.600     1.400 peak   268 spectrum    1 weight  0.10000E+01 volume  0.26865E-03 ppm1      8.011 ppm2      1.220 CV     1
 ASSI {  269}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 25   and name HN  ))
      4.800     2.800     1.200 peak   269 spectrum    1 weight  0.10000E+01 volume  0.22806E-03 ppm1      8.010 ppm2      0.939 CV     1
 ASSI {  270}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 25   and name HN  ))
      5.600     3.900     0.400 peak   270 spectrum    1 weight  0.10000E+01 volume  0.49056E-04 ppm1      8.014 ppm2      0.741 CV     1
 ASSI {  271}
   (( segid "UBI " and resid 27   and name HN  ))
   (( segid "UBI " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   271 spectrum    1 weight  0.10000E+01 volume  0.34456E-02 ppm1      8.121 ppm2      8.536 CV     1
 ASSI {  273}
   (( segid "UBI " and resid 25   and name HA  ))
   (( segid "UBI " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   273 spectrum    1 weight  0.10000E+01 volume  0.73585E-03 ppm1      8.123 ppm2      4.464 CV     1
 ASSI {  274}
   (( segid "UBI " and resid 24   and name HA  ))
   (( segid "UBI " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.27682E-03 ppm1      8.124 ppm2      4.161 CV     1
 ASSI {  275}
   (( segid "UBI " and resid 23   and name HA  ))
   (( segid "UBI " and resid 26   and name HN  ))
      3.000     1.200     1.200 peak   275 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      8.121 ppm2      3.585 CV     1
 ASSI {  276}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 26   and name HN  ))
      2.900     1.000     1.000 peak   276 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      8.121 ppm2      3.320 CV     1
 ASSI {  277}
   (( segid "UBI " and resid 25   and name HB1 ))
   (( segid "UBI " and resid 26   and name HN  ))
      2.800     1.000     1.000 peak   277 spectrum    1 weight  0.10000E+01 volume  0.19126E-02 ppm1      8.121 ppm2      3.180 CV     1
 ASSI {  278}
   (( segid "UBI " and resid 25   and name HB2 ))
   (( segid "UBI " and resid 26   and name HN  ))
      3.600     1.600     1.600 peak   278 spectrum    1 weight  0.10000E+01 volume  0.12030E-02 ppm1      8.121 ppm2      2.862 CV     1
 ASSI {  279}
   (( segid "UBI " and resid 21   and name HB1 ))
   (( segid "UBI " and resid 26   and name HN  ))
      3.600     1.700     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.58108E-03 ppm1      8.123 ppm2      2.532 CV     1
 ASSI {  280}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   280 spectrum    1 weight  0.10000E+01 volume  0.52269E-02 ppm1      8.121 ppm2      2.316 CV     1
 ASSI {  281}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.55188E-02 ppm1      8.119 ppm2      0.943 CV     1
 ASSI {  285}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.20002E-02 ppm1      8.535 ppm2      4.596 CV     1
 ASSI {  286}
   (( segid "UBI " and resid 24   and name HA  ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.13374E-02 ppm1      8.537 ppm2      4.171 CV     1
 ASSI {  287}
   (( segid "UBI " and resid 28   and name HB2 ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.800     1.800     1.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.70664E-03 ppm1      8.538 ppm2      4.084 CV     1
 OR {  287}
   (( segid "UBI " and resid 28   and name HB1 ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  288}
   (( segid "UBI " and resid 23   and name HA  ))
   (( segid "UBI " and resid 27   and name HN  ))
      4.300     2.300     1.700 peak   288 spectrum    1 weight  0.10000E+01 volume  0.25813E-03 ppm1      8.534 ppm2      3.592 CV     1
 ASSI {  289}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   289 spectrum    1 weight  0.10000E+01 volume  0.48764E-03 ppm1      8.534 ppm2      3.323 CV     1
 ASSI {  291}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 27   and name HN  ))
      2.400     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.49932E-02 ppm1      8.537 ppm2      2.316 CV     1
 ASSI {  292}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.200     1.200     1.200 peak   292 spectrum    1 weight  0.10000E+01 volume  0.33580E-02 ppm1      8.537 ppm2      2.059 CV     1
 ASSI {  293}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.31536E-02 ppm1      8.536 ppm2      1.676 CV     1
 OR {  293}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  294}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.44384E-02 ppm1      8.537 ppm2      1.549 CV     1
 OR {  294}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  295}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   295 spectrum    1 weight  0.10000E+01 volume  0.35624E-02 ppm1      8.536 ppm2      1.378 CV     1
 ASSI {  296}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 27   and name HN  ))
      4.200     2.200     1.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.54020E-03 ppm1      8.534 ppm2      0.939 CV     1
 ASSI {  297}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   297 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      8.536 ppm2      0.738 CV     1
 ASSI {  298}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 27   and name HN  ))
      3.300     1.300     1.300 peak   298 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      8.538 ppm2      0.655 CV     1
 ASSI {  299}
   (( segid "UBI " and resid 27   and name HN  ))
   (( segid "UBI " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      8.145 ppm2      8.535 CV     1
 ASSI {  301}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   301 spectrum    1 weight  0.10000E+01 volume  0.77086E-03 ppm1      8.144 ppm2      4.602 CV     1
 ASSI {  302}
   (( segid "UBI " and resid 25   and name HA  ))
   (( segid "UBI " and resid 28   and name HN  ))
      3.000     1.100     1.100 peak   302 spectrum    1 weight  0.10000E+01 volume  0.18250E-02 ppm1      8.145 ppm2      4.461 CV     1
 ASSI {  303}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   303 spectrum    1 weight  0.10000E+01 volume  0.45260E-02 ppm1      8.145 ppm2      4.178 CV     1
 ASSI {  304}
   (( segid "UBI " and resid 28   and name HB2 ))
   (( segid "UBI " and resid 28   and name HN  ))
      2.300     0.700     0.700 peak   304 spectrum    1 weight  0.10000E+01 volume  0.73585E-02 ppm1      8.145 ppm2      4.089 CV     1
 OR {  304}
   (( segid "UBI " and resid 28   and name HB1 ))
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  305}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.18718E-03 ppm1      8.153 ppm2      3.326 CV     1
 ASSI {  306}
   (( segid "UBI " and resid 24   and name HB1 ))
   (( segid "UBI " and resid 28   and name HN  ))
      4.800     2.900     1.200 peak   306 spectrum    1 weight  0.10000E+01 volume  0.11505E-03 ppm1      8.141 ppm2      2.606 CV     1
 OR {  306}
   (( segid "UBI " and resid 24   and name HB2 ))
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  308}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 28   and name HN  ))
      3.100     1.200     1.200 peak   308 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      8.145 ppm2      2.060 CV     1
 ASSI {  309}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 28   and name HN  ))
      4.100     2.100     1.900 peak   309 spectrum    1 weight  0.10000E+01 volume  0.70664E-03 ppm1      8.146 ppm2      1.689 CV     1
 OR {  309}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  310}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 28   and name HN  ))
      4.000     2.000     2.000 peak   310 spectrum    1 weight  0.10000E+01 volume  0.75630E-03 ppm1      8.148 ppm2      1.556 CV     1
 OR {  310}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  311}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 28   and name HN  ))
      3.000     1.200     1.200 peak   311 spectrum    1 weight  0.10000E+01 volume  0.11534E-02 ppm1      8.147 ppm2      1.392 CV     1
 ASSI {  314}
   (( segid "UBI " and resid 31   and name HN  ))
   (( segid "UBI " and resid 29   and name HN  ))
      3.500     1.500     1.500 peak   314 spectrum    1 weight  0.10000E+01 volume  0.76213E-03 ppm1      7.996 ppm2      8.487 CV     1
 ASSI {  315}
   (( segid "UBI " and resid 30   and name HN  ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.600     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.31536E-02 ppm1      7.997 ppm2      8.327 CV     1
 ASSI {  316}
   (( segid "UBI " and resid 28   and name HN  ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.57524E-02 ppm1      7.998 ppm2      8.132 CV     1
 ASSI {  318}
   (( segid "UBI " and resid 28   and name HB2 ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.30660E-02 ppm1      7.999 ppm2      4.089 CV     1
 OR {  318}
   (( segid "UBI " and resid 28   and name HB1 ))
   (( segid "UBI " and resid 29   and name HN  ))
 ASSI {  319}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak   319 spectrum    1 weight  0.10000E+01 volume  0.87891E-03 ppm1      7.998 ppm2      3.320 CV     1
 ASSI {  321}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.400     2.400     3.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.47597E-02 ppm1      7.997 ppm2      2.087 CV     1
 ASSI {  322}
   (( segid "UBI " and resid 29   and name HB1 ))
   (( segid "UBI " and resid 29   and name HN  ))
      3.300     1.400     1.400 peak   322 spectrum    1 weight  0.10000E+01 volume  0.24616E-02 ppm1      7.998 ppm2      1.902 CV     1
 ASSI {  323}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.400     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      7.998 ppm2      1.720 CV     1
 ASSI {  324}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HN  ))
      3.400     1.400     1.400 peak   324 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      7.998 ppm2      1.553 CV     1
 ASSI {  327}
   (( segid "UBI " and resid 31   and name HN  ))
   (( segid "UBI " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   327 spectrum    1 weight  0.10000E+01 volume  0.47889E-02 ppm1      8.326 ppm2      8.456 CV     1
 ASSI {  331}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak   331 spectrum    1 weight  0.10000E+01 volume  0.75339E-03 ppm1      8.327 ppm2      4.595 CV     1
 ASSI {  332}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak   332 spectrum    1 weight  0.10000E+01 volume  0.88182E-03 ppm1      8.326 ppm2      4.179 CV     1
 ASSI {  333}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 30   and name HN  ))
      3.000     1.100     1.100 peak   333 spectrum    1 weight  0.10000E+01 volume  0.16148E-02 ppm1      8.325 ppm2      3.474 CV     1
 ASSI {  334}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 30   and name HN  ))
      4.600     2.600     1.400 peak   334 spectrum    1 weight  0.10000E+01 volume  0.15096E-03 ppm1      8.329 ppm2      3.331 CV     1
 ASSI {  335}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 30   and name HN  ))
      2.400     0.700     0.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.52269E-02 ppm1      8.325 ppm2      2.314 CV     1
 ASSI {  336}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 30   and name HN  ))
      2.700     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.22543E-02 ppm1      8.325 ppm2      2.083 CV     1
 ASSI {  337}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 30   and name HN  ))
      2.300     2.300     3.700 peak   337 spectrum    1 weight  0.10000E+01 volume  0.50808E-02 ppm1      8.327 ppm2      1.986 CV     1
 ASSI {  341}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 30   and name HN  ))
      3.600     1.600     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.13695E-02 ppm1      8.326 ppm2      0.858 CV     1
 ASSI {  347}
   (( segid "UBI " and resid 41   and name HE21))
   (( segid "UBI " and resid 31   and name HN  ))
      4.100     2.100     1.900 peak   347 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      8.470 ppm2      6.064 CV     1
 ASSI {  348}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 31   and name HN  ))
      4.400     2.400     1.600 peak   348 spectrum    1 weight  0.10000E+01 volume  0.20002E-03 ppm1      8.471 ppm2      4.595 CV     1
 ASSI {  350}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 31   and name HN  ))
      3.000     1.100     1.100 peak   350 spectrum    1 weight  0.10000E+01 volume  0.16236E-02 ppm1      8.469 ppm2      3.794 CV     1
 ASSI {  351}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 31   and name HN  ))
      3.900     1.900     1.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.34748E-03 ppm1      8.464 ppm2      3.470 CV     1
 ASSI {  352}
   (( segid "UBI " and resid 31   and name HB2 ))
   (( segid "UBI " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak   352 spectrum    1 weight  0.10000E+01 volume  0.33580E-02 ppm1      8.469 ppm2      2.512 CV     1
 ASSI {  353}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 31   and name HN  ))
      2.700     0.900     0.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.24733E-02 ppm1      8.468 ppm2      2.308 CV     1
 ASSI {  354}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 31   and name HN  ))
      2.600     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.40296E-02 ppm1      8.470 ppm2      1.963 CV     1
 ASSI {  356}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 31   and name HN  ))
      5.500     3.800     0.500 peak   356 spectrum    1 weight  0.10000E+01 volume  0.10600E-03 ppm1      8.472 ppm2      0.852 CV     1
 ASSI {  357}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 31   and name HN  ))
      3.500     1.500     1.500 peak   357 spectrum    1 weight  0.10000E+01 volume  0.10366E-02 ppm1      8.471 ppm2      0.662 CV     1
 OR {  357}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 31   and name HN  ))
 ASSI {  358}
   (( segid "UBI " and resid 31   and name HN  ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.700     0.900     0.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.27682E-02 ppm1      8.130 ppm2      8.468 CV     1
 ASSI {  359}
   (( segid "UBI " and resid 30   and name HN  ))
   (( segid "UBI " and resid 32   and name HN  ))
      3.400     1.400     1.400 peak   359 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      8.131 ppm2      8.304 CV     1
 ASSI {  363}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 32   and name HN  ))
      3.600     1.600     1.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.59568E-03 ppm1      8.131 ppm2      3.799 CV     1
 ASSI {  364}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 32   and name HN  ))
      5.000     3.100     1.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.88182E-04 ppm1      8.132 ppm2      3.470 CV     1
 ASSI {  365}
   (( segid "UBI " and resid 32   and name HB1 ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.600     0.800     0.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.58984E-02 ppm1      8.131 ppm2      2.826 CV     1
 ASSI {  366}
   (( segid "UBI " and resid 32   and name HB2 ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.37960E-02 ppm1      8.131 ppm2      2.715 CV     1
 ASSI {  367}
   (( segid "UBI " and resid 31   and name HB2 ))
   (( segid "UBI " and resid 32   and name HN  ))
      3.000     1.100     1.100 peak   367 spectrum    1 weight  0.10000E+01 volume  0.50516E-02 ppm1      8.131 ppm2      2.518 CV     1
 ASSI {  368}
   (( segid "UBI " and resid 31   and name HG1 ))
   (( segid "UBI " and resid 32   and name HN  ))
      3.500     1.600     1.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      8.131 ppm2      2.258 CV     1
 ASSI {  372}
   (( segid "UBI " and resid 34   and name HN  ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.500     0.800     0.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.42632E-02 ppm1      7.455 ppm2      8.693 CV     1
 ASSI {  373}
   (( segid "UBI " and resid 35   and name HN  ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.86726E-03 ppm1      7.456 ppm2      8.520 CV     1
 ASSI {  374}
   (( segid "UBI " and resid 32   and name HN  ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.26894E-02 ppm1      7.456 ppm2      8.135 CV     1
 ASSI {  376}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.55773E-03 ppm1      7.455 ppm2      4.169 CV     1
 ASSI {  377}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 33   and name HN  ))
      4.500     2.500     1.500 peak   377 spectrum    1 weight  0.10000E+01 volume  0.16381E-03 ppm1      7.459 ppm2      3.791 CV     1
 ASSI {  378}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.300     1.400     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.89063E-03 ppm1      7.457 ppm2      3.472 CV     1
 ASSI {  379}
   (( segid "UBI " and resid 32   and name HB1 ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.20761E-02 ppm1      7.454 ppm2      2.827 CV     1
 ASSI {  380}
   (( segid "UBI " and resid 32   and name HB2 ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.200     1.300     1.300 peak   380 spectrum    1 weight  0.10000E+01 volume  0.16118E-02 ppm1      7.457 ppm2      2.716 CV     1
 ASSI {  381}
   (( segid "UBI " and resid 33   and name HB1 ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.900     1.000     1.000 peak   381 spectrum    1 weight  0.10000E+01 volume  0.26835E-02 ppm1      7.456 ppm2      1.976 CV     1
 ASSI {  382}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.400     0.700     0.700 peak   382 spectrum    1 weight  0.10000E+01 volume  0.47012E-02 ppm1      7.456 ppm2      1.812 CV     1
 ASSI {  384}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.000     1.100     1.100 peak   384 spectrum    1 weight  0.10000E+01 volume  0.27652E-02 ppm1      7.456 ppm2      1.568 CV     1
 OR {  384}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HN  ))
 ASSI {  388}
   (( segid "UBI " and resid 36   and name HN  ))
   (( segid "UBI " and resid 34   and name HN  ))
      4.500     2.600     1.500 peak   388 spectrum    1 weight  0.10000E+01 volume  0.29784E-03 ppm1      8.696 ppm2      6.142 CV     1
 ASSI {  389}
   (( segid "UBI " and resid 34   and name HA  ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12761E-02 ppm1      8.692 ppm2      4.545 CV     1
 ASSI {  390}
   (( segid "UBI " and resid 33   and name HA  ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak   390 spectrum    1 weight  0.10000E+01 volume  0.48181E-03 ppm1      8.695 ppm2      4.278 CV     1
 ASSI {  391}
   (( segid "UBI " and resid 35   and name HA1 ))
   (( segid "UBI " and resid 34   and name HN  ))
      4.500     2.500     1.500 peak   391 spectrum    1 weight  0.10000E+01 volume  0.34164E-03 ppm1      8.695 ppm2      3.881 CV     1
 ASSI {  392}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.43801E-03 ppm1      8.697 ppm2      3.803 CV     1
 ASSI {  393}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 34   and name HN  ))
      4.000     2.000     2.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.27389E-03 ppm1      8.690 ppm2      3.471 CV     1
 ASSI {  394}
   (( segid "UBI " and resid 34   and name HB1 ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.600     1.700     1.700 peak   394 spectrum    1 weight  0.10000E+01 volume  0.14396E-02 ppm1      8.693 ppm2      2.245 CV     1
 ASSI {  395}
   (( segid "UBI " and resid 34   and name HG1 ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak   395 spectrum    1 weight  0.10000E+01 volume  0.12643E-02 ppm1      8.692 ppm2      2.127 CV     1
 ASSI {  397}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak   397 spectrum    1 weight  0.10000E+01 volume  0.19126E-02 ppm1      8.695 ppm2      1.817 CV     1
 ASSI {  398}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 34   and name HN  ))
      2.500     0.800     0.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.34748E-02 ppm1      8.694 ppm2      1.637 CV     1
 ASSI {  399}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 34   and name HN  ))
      3.500     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.71540E-03 ppm1      8.690 ppm2      0.667 CV     1
 OR {  399}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 34   and name HN  ))
 ASSI {  400}
   (( segid "UBI " and resid 34   and name HN  ))
   (( segid "UBI " and resid 35   and name HN  ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.57816E-02 ppm1      8.525 ppm2      8.694 CV     1
 ASSI {  403}
   (( segid "UBI " and resid 34   and name HA  ))
   (( segid "UBI " and resid 35   and name HN  ))
      3.600     1.600     1.600 peak   403 spectrum    1 weight  0.10000E+01 volume  0.65992E-03 ppm1      8.528 ppm2      4.547 CV     1
 ASSI {  405}
   (( segid "UBI " and resid 35   and name HA2 ))
   (( segid "UBI " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   405 spectrum    1 weight  0.10000E+01 volume  0.30660E-02 ppm1      8.524 ppm2      4.106 CV     1
 ASSI {  406}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 35   and name HN  ))
      2.600     0.900     0.900 peak   406 spectrum    1 weight  0.10000E+01 volume  0.33872E-02 ppm1      8.526 ppm2      3.790 CV     1
 ASSI {  407}
   (( segid "UBI " and resid 35   and name HA1 ))
   (( segid "UBI " and resid 35   and name HN  ))
      2.700     0.900     0.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.50808E-02 ppm1      8.525 ppm2      3.882 CV     1
 ASSI {  408}
   (( segid "UBI " and resid 34   and name HB1 ))
   (( segid "UBI " and resid 35   and name HN  ))
      4.100     2.100     1.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.52852E-03 ppm1      8.527 ppm2      2.249 CV     1
 ASSI {  410}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 35   and name HN  ))
      3.900     1.900     1.900 peak   410 spectrum    1 weight  0.10000E+01 volume  0.45844E-03 ppm1      8.522 ppm2      1.882 CV     1
 ASSI {  411}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 35   and name HN  ))
      3.300     1.400     1.400 peak   411 spectrum    1 weight  0.10000E+01 volume  0.71540E-03 ppm1      8.523 ppm2      1.638 CV     1
 ASSI {  412}
   (( segid "UBI " and resid 36   and name HG11))
   (( segid "UBI " and resid 35   and name HN  ))
      4.200     2.200     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.27507E-03 ppm1      8.521 ppm2      1.369 CV     1
 OR {  412}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 35   and name HN  ))
 ASSI {  414}
   (( segid "UBI " and resid 35   and name HN  ))
   (( segid "UBI " and resid 36   and name HN  ))
      2.800     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.24674E-02 ppm1      6.137 ppm2      8.525 CV     1
 ASSI {  415}
   (( segid "UBI " and resid 34   and name HA  ))
   (( segid "UBI " and resid 36   and name HN  ))
      4.800     2.800     1.200 peak   415 spectrum    1 weight  0.10000E+01 volume  0.18951E-03 ppm1      6.136 ppm2      4.548 CV     1
 ASSI {  416}
   (( segid "UBI " and resid 36   and name HA  ))
   (( segid "UBI " and resid 36   and name HN  ))
      2.800     1.000     1.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.21024E-02 ppm1      6.138 ppm2      4.382 CV     1
 ASSI {  417}
   (( segid "UBI " and resid 35   and name HA2 ))
   (( segid "UBI " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   417 spectrum    1 weight  0.10000E+01 volume  0.11242E-02 ppm1      6.138 ppm2      4.114 CV     1
 ASSI {  418}
   (( segid "UBI " and resid 35   and name HA1 ))
   (( segid "UBI " and resid 36   and name HN  ))
      3.500     1.500     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      6.138 ppm2      3.902 CV     1
 ASSI {  419}
   (( segid "UBI " and resid 31   and name HA  ))
   (( segid "UBI " and resid 36   and name HN  ))
      2.400     0.700     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.48181E-02 ppm1      6.137 ppm2      3.798 CV     1
 ASSI {  420}
   (( segid "UBI " and resid 37   and name HD2 ))
   (( segid "UBI " and resid 36   and name HN  ))
      5.100     3.200     0.900 peak   420 spectrum    1 weight  0.10000E+01 volume  0.16439E-03 ppm1      6.130 ppm2      3.523 CV     1
 ASSI {  423}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 36   and name HN  ))
      3.700     1.700     1.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.89063E-03 ppm1      6.136 ppm2      1.868 CV     1
 ASSI {  424}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 36   and name HN  ))
      3.100     1.200     1.200 peak   424 spectrum    1 weight  0.10000E+01 volume  0.11593E-02 ppm1      6.137 ppm2      1.635 CV     1
 ASSI {  425}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 36   and name HN  ))
      2.200     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.82634E-02 ppm1      6.138 ppm2      1.371 CV     1
 OR {  425}
   (( segid "UBI " and resid 36   and name HG11))
   (( segid "UBI " and resid 36   and name HN  ))
 ASSI {  426}
   (( segid "UBI " and resid 36   and name HG12))
   (( segid "UBI " and resid 36   and name HN  ))
      3.200     1.300     1.300 peak   426 spectrum    1 weight  0.10000E+01 volume  0.20498E-02 ppm1      6.138 ppm2      1.053 CV     1
 ASSI {  427}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 36   and name HN  ))
      3.500     1.600     1.600 peak   427 spectrum    1 weight  0.10000E+01 volume  0.11651E-02 ppm1      6.137 ppm2      0.905 CV     1
 ASSI {  428}
   (  segid "UBI " and resid 36   and name HD1%)
   (( segid "UBI " and resid 36   and name HN  ))
      3.600     1.700     1.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11330E-02 ppm1      6.136 ppm2      0.747 CV     1
 ASSI {  429}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak   429 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      6.137 ppm2      0.662 CV     1
 ASSI {  430}
   (( segid "UBI " and resid 40   and name HN  ))
   (( segid "UBI " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.26865E-02 ppm1      8.502 ppm2      7.815 CV     1
 ASSI {  432}
   (( segid "UBI " and resid 37   and name HA  ))
   (( segid "UBI " and resid 39   and name HN  ))
      4.700     2.800     1.300 peak   432 spectrum    1 weight  0.10000E+01 volume  0.17812E-03 ppm1      8.501 ppm2      4.596 CV     1
 ASSI {  433}
   (( segid "UBI " and resid 39   and name HA  ))
   (( segid "UBI " and resid 39   and name HN  ))
      2.800     1.000     1.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.24996E-02 ppm1      8.501 ppm2      4.378 CV     1
 ASSI {  434}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 39   and name HN  ))
      3.600     1.600     1.600 peak   434 spectrum    1 weight  0.10000E+01 volume  0.63656E-03 ppm1      8.499 ppm2      4.086 CV     1
 ASSI {  435}
   (( segid "UBI " and resid 38   and name HD2 ))
   (( segid "UBI " and resid 39   and name HN  ))
      3.100     1.200     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13140E-02 ppm1      8.500 ppm2      3.714 CV     1
 OR {  435}
   (( segid "UBI " and resid 38   and name HD1 ))
   (( segid "UBI " and resid 39   and name HN  ))
 ASSI {  436}
   (( segid "UBI " and resid 39   and name HB1 ))
   (( segid "UBI " and resid 39   and name HN  ))
      3.000     1.100     1.100 peak   436 spectrum    1 weight  0.10000E+01 volume  0.20119E-02 ppm1      8.501 ppm2      2.753 CV     1
 ASSI {  437}
   (( segid "UBI " and resid 39   and name HB2 ))
   (( segid "UBI " and resid 39   and name HN  ))
      2.700     0.900     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.28295E-02 ppm1      8.501 ppm2      2.635 CV     1
 ASSI {  439}
   (( segid "UBI " and resid 38   and name HB1 ))
   (( segid "UBI " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.77968E-03 ppm1      8.502 ppm2      2.226 CV     1
 ASSI {  440}
   (( segid "UBI " and resid 38   and name HG2 ))
   (( segid "UBI " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.88772E-03 ppm1      8.500 ppm2      2.146 CV     1
 ASSI {  442}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 39   and name HN  ))
      4.900     3.100     1.100 peak   442 spectrum    1 weight  0.10000E+01 volume  0.19389E-03 ppm1      8.502 ppm2      1.570 CV     1
 ASSI {  444}
   (( segid "UBI " and resid 41   and name HN  ))
   (( segid "UBI " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.52269E-02 ppm1      7.816 ppm2      7.477 CV     1
 ASSI {  447}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   447 spectrum    1 weight  0.10000E+01 volume  0.36208E-03 ppm1      7.814 ppm2      4.083 CV     1
 ASSI {  448}
   (( segid "UBI " and resid 38   and name HD2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      4.600     2.600     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.20995E-03 ppm1      7.816 ppm2      3.730 CV     1
 OR {  448}
   (( segid "UBI " and resid 38   and name HD1 ))
   (( segid "UBI " and resid 40   and name HN  ))
 ASSI {  449}
   (( segid "UBI " and resid 37   and name HD2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      4.800     2.800     1.200 peak   449 spectrum    1 weight  0.10000E+01 volume  0.15330E-03 ppm1      7.818 ppm2      3.522 CV     1
 ASSI {  450}
   (( segid "UBI " and resid 39   and name HB1 ))
   (( segid "UBI " and resid 40   and name HN  ))
      3.500     1.600     1.600 peak   450 spectrum    1 weight  0.10000E+01 volume  0.65992E-03 ppm1      7.815 ppm2      2.742 CV     1
 ASSI {  451}
   (( segid "UBI " and resid 39   and name HB2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   451 spectrum    1 weight  0.10000E+01 volume  0.43216E-03 ppm1      7.816 ppm2      2.637 CV     1
 ASSI {  453}
   (( segid "UBI " and resid 37   and name HG2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      3.800     1.800     1.800 peak   453 spectrum    1 weight  0.10000E+01 volume  0.67744E-03 ppm1      7.815 ppm2      2.067 CV     1
 ASSI {  454}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      2.600     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.30076E-02 ppm1      7.818 ppm2      1.925 CV     1
 ASSI {  455}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.50224E-02 ppm1      7.817 ppm2      1.811 CV     1
 ASSI {  456}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.51100E-03 ppm1      7.815 ppm2      1.619 CV     1
 ASSI {  457}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 40   and name HN  ))
      3.900     1.900     1.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.45844E-03 ppm1      7.819 ppm2      0.901 CV     1
 ASSI {  458}
   (( segid "UBI " and resid 50   and name HN  ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.700     1.800     1.800 peak   458 spectrum    1 weight  0.10000E+01 volume  0.91691E-03 ppm1      8.388 ppm2      8.574 CV     1
 ASSI {  459}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 51   and name HN  ))
      3.600     1.700     1.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.77968E-03 ppm1      8.388 ppm2      6.857 CV     1
 ASSI {  460}
   (( segid "UBI " and resid 51   and name HA  ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.000     1.100     1.100 peak   460 spectrum    1 weight  0.10000E+01 volume  0.13987E-02 ppm1      8.385 ppm2      4.420 CV     1
 ASSI {  461}
   (( segid "UBI " and resid 50   and name HA  ))
   (( segid "UBI " and resid 51   and name HN  ))
      2.300     0.700     0.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.64533E-02 ppm1      8.384 ppm2      4.027 CV     1
 ASSI {  462}
   (( segid "UBI " and resid 51   and name HG2 ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak   462 spectrum    1 weight  0.10000E+01 volume  0.17491E-02 ppm1      8.387 ppm2      2.401 CV     1
 ASSI {  463}
   (( segid "UBI " and resid 51   and name HG1 ))
   (( segid "UBI " and resid 51   and name HN  ))
      2.900     1.100     1.100 peak   463 spectrum    1 weight  0.10000E+01 volume  0.15564E-02 ppm1      8.384 ppm2      2.315 CV     1
 ASSI {  464}
   (( segid "UBI " and resid 51   and name HB1 ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak   464 spectrum    1 weight  0.10000E+01 volume  0.19331E-02 ppm1      8.385 ppm2      2.191 CV     1
 ASSI {  465}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 51   and name HN  ))
      2.500     0.800     0.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.33580E-02 ppm1      8.385 ppm2      1.946 CV     1
 ASSI {  467}
   (( segid "UBI " and resid 50   and name HB1 ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.500     1.500     1.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.72125E-03 ppm1      8.387 ppm2      1.448 CV     1
 OR {  467}
   (( segid "UBI " and resid 50   and name HG  ))
   (( segid "UBI " and resid 51   and name HN  ))
 ASSI {  468}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak   468 spectrum    1 weight  0.10000E+01 volume  0.12206E-03 ppm1      8.381 ppm2      1.279 CV     1
 ASSI {  469}
   (( segid "UBI " and resid 50   and name HB2 ))
   (( segid "UBI " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak   469 spectrum    1 weight  0.10000E+01 volume  0.81469E-03 ppm1      8.386 ppm2      0.977 CV     1
 ASSI {  470}
   (( segid "UBI " and resid 39   and name HN  ))
   (( segid "UBI " and resid 41   and name HN  ))
      3.600     1.600     1.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.75922E-03 ppm1      7.476 ppm2      8.498 CV     1
 ASSI {  473}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 41   and name HN  ))
      3.500     1.600     1.600 peak   473 spectrum    1 weight  0.10000E+01 volume  0.91101E-03 ppm1      7.477 ppm2      4.086 CV     1
 ASSI {  474}
   (( segid "UBI " and resid 41   and name HA  ))
   (( segid "UBI " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      7.476 ppm2      4.200 CV     1
 ASSI {  475}
   (( segid "UBI " and resid 41   and name HG1 ))
   (( segid "UBI " and resid 41   and name HN  ))
      2.900     1.100     1.100 peak   475 spectrum    1 weight  0.10000E+01 volume  0.40296E-02 ppm1      7.476 ppm2      2.477 CV     1
 ASSI {  476}
   (( segid "UBI " and resid 41   and name HB1 ))
   (( segid "UBI " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   476 spectrum    1 weight  0.10000E+01 volume  0.58108E-02 ppm1      7.476 ppm2      1.921 CV     1
 ASSI {  478}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   478 spectrum    1 weight  0.10000E+01 volume  0.19710E-02 ppm1      7.477 ppm2      1.614 CV     1
 ASSI {  479}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 41   and name HN  ))
      4.200     2.200     1.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.42048E-03 ppm1      7.474 ppm2      1.383 CV     1
 OR {  479}
   (( segid "UBI " and resid 36   and name HG11))
   (( segid "UBI " and resid 41   and name HN  ))
 ASSI {  480}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 41   and name HN  ))
      3.500     1.500     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.64825E-03 ppm1      7.473 ppm2      0.902 CV     1
 ASSI {  482}
   (( segid "UBI " and resid 44   and name HN  ))
   (( segid "UBI " and resid 43   and name HN  ))
      4.400     2.400     1.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.25901E-03 ppm1      8.786 ppm2      9.156 CV     1
 ASSI {  483}
   (( segid "UBI " and resid 43   and name HA  ))
   (( segid "UBI " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak   483 spectrum    1 weight  0.10000E+01 volume  0.10453E-02 ppm1      8.782 ppm2      5.333 CV     1
 ASSI {  485}
   (( segid "UBI " and resid 42   and name HA  ))
   (( segid "UBI " and resid 43   and name HN  ))
      2.300     0.700     0.700 peak   485 spectrum    1 weight  0.10000E+01 volume  0.71248E-02 ppm1      8.785 ppm2      4.493 CV     1
 ASSI {  486}
   (( segid "UBI " and resid 27   and name HE2 ))
   (( segid "UBI " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak   486 spectrum    1 weight  0.10000E+01 volume  0.55773E-03 ppm1      8.782 ppm2      2.590 CV     1
 OR {  486}
   (( segid "UBI " and resid 27   and name HE1 ))
   (( segid "UBI " and resid 43   and name HN  ))
 ASSI {  490}
   (( segid "UBI " and resid 43   and name HB2 ))
   (( segid "UBI " and resid 43   and name HN  ))
      3.000     1.100     1.100 peak   490 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      8.786 ppm2      1.113 CV     1
 ASSI {  491}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 43   and name HN  ))
      3.300     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.13228E-02 ppm1      8.787 ppm2      0.747 CV     1
 OR {  491}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 43   and name HN  ))
 ASSI {  493}
   (( segid "UBI " and resid 43   and name HA  ))
   (( segid "UBI " and resid 44   and name HN  ))
      2.300     0.700     0.700 peak   493 spectrum    1 weight  0.10000E+01 volume  0.69205E-02 ppm1      9.153 ppm2      5.332 CV     1
 ASSI {  494}
   (( segid "UBI " and resid 69   and name HA  ))
   (( segid "UBI " and resid 44   and name HN  ))
      3.500     1.600     1.600 peak   494 spectrum    1 weight  0.10000E+01 volume  0.72417E-03 ppm1      9.152 ppm2      5.174 CV     1
 ASSI {  495}
   (( segid "UBI " and resid 44   and name HA  ))
   (( segid "UBI " and resid 44   and name HN  ))
      3.100     1.200     1.200 peak   495 spectrum    1 weight  0.10000E+01 volume  0.11738E-02 ppm1      9.154 ppm2      4.995 CV     1
 ASSI {  496}
   (( segid "UBI " and resid 68   and name HB2 ))
   (( segid "UBI " and resid 44   and name HN  ))
      3.900     1.900     1.900 peak   496 spectrum    1 weight  0.10000E+01 volume  0.35041E-03 ppm1      9.155 ppm2      2.827 CV     1
 ASSI {  497}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 44   and name HN  ))
      2.500     0.800     0.800 peak   497 spectrum    1 weight  0.10000E+01 volume  0.36792E-02 ppm1      9.153 ppm2      1.674 CV     1
 ASSI {  498}
   (( segid "UBI " and resid 43   and name HB1 ))
   (( segid "UBI " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak   498 spectrum    1 weight  0.10000E+01 volume  0.82052E-03 ppm1      9.153 ppm2      1.534 CV     1
 ASSI {  500}
   (( segid "UBI " and resid 44   and name HG11))
   (( segid "UBI " and resid 44   and name HN  ))
      3.300     1.300     1.300 peak   500 spectrum    1 weight  0.10000E+01 volume  0.77378E-03 ppm1      9.155 ppm2      1.294 CV     1
 ASSI {  502}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 44   and name HN  ))
      3.400     1.400     1.400 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      9.157 ppm2      0.762 CV     1
 OR {  502}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 44   and name HN  ))
 ASSI {  503}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 44   and name HN  ))
      3.300     1.400     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.15038E-02 ppm1      9.156 ppm2      0.653 CV     1
 OR {  503}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 44   and name HN  ))
 ASSI {  505}
   (( segid "UBI " and resid 44   and name HA  ))
   (( segid "UBI " and resid 45   and name HN  ))
      2.200     0.600     0.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.83515E-02 ppm1      8.799 ppm2      4.989 CV     1
 ASSI {  506}
   (( segid "UBI " and resid 49   and name HA  ))
   (( segid "UBI " and resid 45   and name HN  ))
      3.900     1.900     1.900 peak   506 spectrum    1 weight  0.10000E+01 volume  0.58692E-03 ppm1      8.800 ppm2      4.557 CV     1
 ASSI {  507}
   (( segid "UBI " and resid 45   and name HB2 ))
   (( segid "UBI " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak   507 spectrum    1 weight  0.10000E+01 volume  0.12381E-02 ppm1      8.801 ppm2      3.088 CV     1
 ASSI {  508}
   (( segid "UBI " and resid 45   and name HB1 ))
   (( segid "UBI " and resid 45   and name HN  ))
      2.900     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      8.801 ppm2      2.729 CV     1
 ASSI {  509}
   (( segid "UBI " and resid 48   and name HB2 ))
   (( segid "UBI " and resid 45   and name HN  ))
      3.600     1.700     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.57524E-03 ppm1      8.800 ppm2      1.842 CV     1
 OR {  509}
   (( segid "UBI " and resid 48   and name HB1 ))
   (( segid "UBI " and resid 45   and name HN  ))
 ASSI {  510}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 45   and name HN  ))
      4.200     2.200     1.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.41756E-03 ppm1      8.799 ppm2      1.668 CV     1
 ASSI {  512}
   (( segid "UBI " and resid 44   and name HG11))
   (( segid "UBI " and resid 45   and name HN  ))
      5.200     3.300     0.800 peak   512 spectrum    1 weight  0.10000E+01 volume  0.22017E-03 ppm1      8.802 ppm2      1.312 CV     1
 ASSI {  513}
   (( segid "UBI " and resid 44   and name HG12))
   (( segid "UBI " and resid 45   and name HN  ))
      5.000     3.200     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.19506E-03 ppm1      8.801 ppm2      1.037 CV     1
 ASSI {  514}
   (  segid "UBI " and resid 46   and name HB% )
   (( segid "UBI " and resid 45   and name HN  ))
      4.400     2.400     1.600 peak   514 spectrum    1 weight  0.10000E+01 volume  0.18046E-03 ppm1      8.801 ppm2      0.859 CV     1
 ASSI {  515}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   515 spectrum    1 weight  0.10000E+01 volume  0.29200E-02 ppm1      8.800 ppm2      0.641 CV     1
 ASSI {  516}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 45   and name HN  ))
      3.800     1.800     1.800 peak   516 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      8.804 ppm2      0.496 CV     1
 ASSI {  518}
   (( segid "UBI " and resid 45   and name HA  ))
   (( segid "UBI " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.34456E-02 ppm1      8.803 ppm2      5.022 CV     1
 ASSI {  524}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   524 spectrum    1 weight  0.10000E+01 volume  0.16410E-02 ppm1      8.215 ppm2      0.641 CV     1
 ASSI {  526}
   (( segid "UBI " and resid 47   and name HA2 ))
   (( segid "UBI " and resid 47   and name HN  ))
      2.300     0.700     0.700 peak   526 spectrum    1 weight  0.10000E+01 volume  0.48764E-02 ppm1      8.213 ppm2      3.379 CV     1
 ASSI {  528}
   (( segid "UBI " and resid 47   and name HA1 ))
   (( segid "UBI " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   528 spectrum    1 weight  0.10000E+01 volume  0.33872E-02 ppm1      8.216 ppm2      4.012 CV     1
 ASSI {  530}
   (( segid "UBI " and resid 46   and name HN  ))
   (( segid "UBI " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak   530 spectrum    1 weight  0.10000E+01 volume  0.12089E-02 ppm1      8.214 ppm2      8.802 CV     1
 ASSI {  531}
   (( segid "UBI " and resid 47   and name HN  ))
   (( segid "UBI " and resid 48   and name HN  ))
      2.800     1.000     1.000 peak   531 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      7.953 ppm2      8.214 CV     1
 ASSI {  532}
   (( segid "UBI " and resid 45   and name HN  ))
   (( segid "UBI " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.18718E-02 ppm1      7.952 ppm2      8.799 CV     1
 ASSI {  533}
   (( segid "UBI " and resid 49   and name HN  ))
   (( segid "UBI " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   533 spectrum    1 weight  0.10000E+01 volume  0.77968E-03 ppm1      7.952 ppm2      8.636 CV     1
 ASSI {  534}
   (( segid "UBI " and resid 44   and name HA  ))
   (( segid "UBI " and resid 48   and name HN  ))
      4.300     2.300     1.700 peak   534 spectrum    1 weight  0.10000E+01 volume  0.42048E-03 ppm1      7.957 ppm2      4.999 CV     1
 ASSI {  535}
   (( segid "UBI " and resid 48   and name HA  ))
   (( segid "UBI " and resid 48   and name HN  ))
      2.900     1.000     1.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.19155E-02 ppm1      7.950 ppm2      4.596 CV     1
 ASSI {  536}
   (( segid "UBI " and resid 47   and name HA1 ))
   (( segid "UBI " and resid 48   and name HN  ))
      3.500     1.500     1.500 peak   536 spectrum    1 weight  0.10000E+01 volume  0.90810E-03 ppm1      7.956 ppm2      4.022 CV     1
 ASSI {  537}
   (( segid "UBI " and resid 47   and name HA2 ))
   (( segid "UBI " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.10366E-02 ppm1      7.954 ppm2      3.387 CV     1
 ASSI {  538}
   (( segid "UBI " and resid 48   and name HB2 ))
   (( segid "UBI " and resid 48   and name HN  ))
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.44968E-02 ppm1      7.954 ppm2      1.842 CV     1
 OR {  538}
   (( segid "UBI " and resid 48   and name HB1 ))
   (( segid "UBI " and resid 48   and name HN  ))
 ASSI {  539}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HN  ))
      3.000     1.100     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.18542E-02 ppm1      7.954 ppm2      1.474 CV     1
 OR {  539}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HN  ))
 ASSI {  541}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak   541 spectrum    1 weight  0.10000E+01 volume  0.14688E-02 ppm1      7.956 ppm2      0.642 CV     1
 ASSI {  543}
   (( segid "UBI " and resid 49   and name HG2 ))
   (( segid "UBI " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak   543 spectrum    1 weight  0.10000E+01 volume  0.12410E-02 ppm1      8.631 ppm2      2.226 CV     1
 ASSI {  544}
   (( segid "UBI " and resid 49   and name HG1 ))
   (( segid "UBI " and resid 49   and name HN  ))
      3.400     1.500     1.500 peak   544 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      8.632 ppm2      2.111 CV     1
 ASSI {  545}
   (( segid "UBI " and resid 49   and name HB2 ))
   (( segid "UBI " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.33288E-02 ppm1      8.628 ppm2      1.990 CV     1
 ASSI {  546}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 49   and name HN  ))
      3.900     1.900     1.900 peak   546 spectrum    1 weight  0.10000E+01 volume  0.61612E-03 ppm1      8.629 ppm2      1.477 CV     1
 OR {  546}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 49   and name HN  ))
 ASSI {  547}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 49   and name HN  ))
      4.200     2.200     1.800 peak   547 spectrum    1 weight  0.10000E+01 volume  0.25229E-03 ppm1      8.630 ppm2      0.662 CV     1
 OR {  547}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 49   and name HN  ))
 ASSI {  550}
   (( segid "UBI " and resid 44   and name HA  ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   550 spectrum    1 weight  0.10000E+01 volume  0.99867E-03 ppm1      8.572 ppm2      4.987 CV     1
 ASSI {  551}
   (( segid "UBI " and resid 49   and name HA  ))
   (( segid "UBI " and resid 50   and name HN  ))
      2.300     0.600     0.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.68621E-02 ppm1      8.571 ppm2      4.547 CV     1
 ASSI {  552}
   (( segid "UBI " and resid 50   and name HA  ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   552 spectrum    1 weight  0.10000E+01 volume  0.11593E-02 ppm1      8.571 ppm2      4.028 CV     1
 ASSI {  553}
   (( segid "UBI " and resid 49   and name HG2 ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   553 spectrum    1 weight  0.10000E+01 volume  0.54020E-03 ppm1      8.573 ppm2      2.226 CV     1
 ASSI {  554}
   (( segid "UBI " and resid 49   and name HB1 ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.700     1.800     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.67452E-03 ppm1      8.571 ppm2      1.910 CV     1
 ASSI {  555}
   (( segid "UBI " and resid 49   and name HB2 ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   555 spectrum    1 weight  0.10000E+01 volume  0.54312E-03 ppm1      8.571 ppm2      2.005 CV     1
 ASSI {  556}
   (( segid "UBI " and resid 50   and name HG  ))
   (( segid "UBI " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   556 spectrum    1 weight  0.10000E+01 volume  0.77968E-02 ppm1      8.574 ppm2      1.438 CV     1
 OR {  556}
   (( segid "UBI " and resid 50   and name HB1 ))
   (( segid "UBI " and resid 50   and name HN  ))
 ASSI {  557}
   (( segid "UBI " and resid 50   and name HB2 ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.100     1.200     1.200 peak   557 spectrum    1 weight  0.10000E+01 volume  0.10103E-02 ppm1      8.572 ppm2      0.979 CV     1
 ASSI {  558}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 50   and name HN  ))
      4.100     2.100     1.900 peak   558 spectrum    1 weight  0.10000E+01 volume  0.47597E-03 ppm1      8.572 ppm2      0.658 CV     1
 ASSI {  559}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 50   and name HN  ))
      3.600     1.600     1.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.71832E-03 ppm1      8.573 ppm2      0.489 CV     1
 ASSI {  560}
   (( segid "UBI " and resid 24   and name HN  ))
   (( segid "UBI " and resid 52   and name HN  ))
      4.300     2.300     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.42340E-03 ppm1      8.097 ppm2      9.415 CV     1
 ASSI {  561}
   (( segid "UBI " and resid 51   and name HA  ))
   (( segid "UBI " and resid 52   and name HN  ))
      2.200     0.600     0.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.10161E-01 ppm1      8.101 ppm2      4.419 CV     1
 ASSI {  563}
   (( segid "UBI " and resid 52   and name HB2 ))
   (( segid "UBI " and resid 52   and name HN  ))
      2.800     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.28324E-02 ppm1      8.101 ppm2      2.768 CV     1
 ASSI {  566}
   (( segid "UBI " and resid 51   and name HB1 ))
   (( segid "UBI " and resid 52   and name HN  ))
      2.800     1.000     1.000 peak   566 spectrum    1 weight  0.10000E+01 volume  0.21403E-02 ppm1      8.101 ppm2      2.191 CV     1
 ASSI {  568}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      8.103 ppm2      0.737 CV     1
 ASSI {  569}
   (( segid "UBI " and resid 24   and name HN  ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak   569 spectrum    1 weight  0.10000E+01 volume  0.26514E-02 ppm1      7.368 ppm2      9.415 CV     1
 ASSI {  570}
   (( segid "UBI " and resid 55   and name HN  ))
   (( segid "UBI " and resid 54   and name HN  ))
      4.600     2.600     1.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.21229E-03 ppm1      7.371 ppm2      8.805 CV     1
 ASSI {  571}
   (( segid "UBI " and resid 23   and name HN  ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.500     1.500     1.500 peak   571 spectrum    1 weight  0.10000E+01 volume  0.56357E-03 ppm1      7.369 ppm2      8.672 CV     1
 ASSI {  572}
   (( segid "UBI " and resid 52   and name HN  ))
   (( segid "UBI " and resid 54   and name HN  ))
      4.200     2.200     1.800 peak   572 spectrum    1 weight  0.10000E+01 volume  0.33580E-03 ppm1      7.369 ppm2      8.099 CV     1
 ASSI {  573}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 54   and name HN  ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.23623E-03 ppm1      7.370 ppm2      6.851 CV     1
 ASSI {  574}
   (( segid "UBI " and resid 54   and name HA  ))
   (( segid "UBI " and resid 54   and name HN  ))
      2.900     1.000     1.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      7.372 ppm2      4.658 CV     1
 ASSI {  575}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.700     1.800     1.800 peak   575 spectrum    1 weight  0.10000E+01 volume  0.88473E-03 ppm1      7.367 ppm2      4.291 CV     1
 ASSI {  576}
   (( segid "UBI " and resid 53   and name HA2 ))
   (( segid "UBI " and resid 54   and name HN  ))
      2.900     1.100     1.100 peak   576 spectrum    1 weight  0.10000E+01 volume  0.21754E-02 ppm1      7.369 ppm2      4.000 CV     1
 OR {  576}
   (( segid "UBI " and resid 53   and name HA1 ))
   (( segid "UBI " and resid 54   and name HN  ))
 ASSI {  578}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.93439E-03 ppm1      7.368 ppm2      2.448 CV     1
 ASSI {  579}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.43509E-02 ppm1      7.368 ppm2      2.189 CV     1
 ASSI {  580}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      7.368 ppm2      2.058 CV     1
 ASSI {  581}
   (( segid "UBI " and resid 23   and name HG12))
   (( segid "UBI " and resid 54   and name HN  ))
      2.800     1.000     1.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.20498E-02 ppm1      7.368 ppm2      1.800 CV     1
 ASSI {  582}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.000     1.100     1.100 peak   582 spectrum    1 weight  0.10000E+01 volume  0.17462E-02 ppm1      7.368 ppm2      1.576 CV     1
 ASSI {  584}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 54   and name HN  ))
      5.000     3.100     1.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.18046E-03 ppm1      7.368 ppm2      0.735 CV     1
 ASSI {  585}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 54   and name HN  ))
      5.000     3.200     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.20206E-03 ppm1      7.374 ppm2      0.551 CV     1
 ASSI {  586}
   (( segid "UBI " and resid 58   and name HN  ))
   (( segid "UBI " and resid 55   and name HN  ))
      3.500     1.500     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.93730E-03 ppm1      8.805 ppm2      7.901 CV     1
 ASSI {  588}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak   588 spectrum    1 weight  0.10000E+01 volume  0.99867E-03 ppm1      8.807 ppm2      5.170 CV     1
 ASSI {  590}
   (( segid "UBI " and resid 54   and name HA  ))
   (( segid "UBI " and resid 55   and name HN  ))
      2.500     0.800     0.800 peak   590 spectrum    1 weight  0.10000E+01 volume  0.40296E-02 ppm1      8.810 ppm2      4.654 CV     1
 ASSI {  591}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 55   and name HN  ))
      3.900     1.900     1.900 peak   591 spectrum    1 weight  0.10000E+01 volume  0.50516E-03 ppm1      8.808 ppm2      4.488 CV     1
 ASSI {  592}
   (( segid "UBI " and resid 58   and name HB1 ))
   (( segid "UBI " and resid 55   and name HN  ))
      3.000     3.000     3.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.20324E-02 ppm1      8.808 ppm2      2.956 CV     1
 ASSI {  593}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.23973E-02 ppm1      8.808 ppm2      2.202 CV     1
 ASSI {  594}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 55   and name HN  ))
      3.000     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.31536E-02 ppm1      8.807 ppm2      2.055 CV     1
 ASSI {  596}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 55   and name HN  ))
      4.500     2.500     1.500 peak   596 spectrum    1 weight  0.10000E+01 volume  0.27273E-03 ppm1      8.810 ppm2      1.580 CV     1
 ASSI {  597}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   597 spectrum    1 weight  0.10000E+01 volume  0.24353E-02 ppm1      8.808 ppm2      1.112 CV     1
 ASSI {  598}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   598 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      8.184 ppm2      5.169 CV     1
 ASSI {  599}
   (( segid "UBI " and resid 22   and name HA  ))
   (( segid "UBI " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak   599 spectrum    1 weight  0.10000E+01 volume  0.10016E-02 ppm1      8.182 ppm2      4.942 CV     1
 ASSI {  600}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 56   and name HN  ))
      2.600     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.42924E-02 ppm1      8.182 ppm2      4.479 CV     1
 ASSI {  601}
   (( segid "UBI " and resid 56   and name HA  ))
   (( segid "UBI " and resid 56   and name HN  ))
      2.900     1.000     1.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.19068E-02 ppm1      8.183 ppm2      4.018 CV     1
 ASSI {  604}
   (( segid "UBI " and resid 56   and name HG  ))
   (( segid "UBI " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   604 spectrum    1 weight  0.10000E+01 volume  0.51392E-02 ppm1      8.181 ppm2      1.681 CV     1
 ASSI {  605}
   (( segid "UBI " and resid 56   and name HB1 ))
   (( segid "UBI " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak   605 spectrum    1 weight  0.10000E+01 volume  0.15564E-02 ppm1      8.183 ppm2      1.236 CV     1
 ASSI {  606}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 56   and name HN  ))
      4.000     2.000     2.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.84389E-03 ppm1      8.181 ppm2      1.118 CV     1
 ASSI {  607}
   (  segid "UBI " and resid 56   and name HD2%)
   (( segid "UBI " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   607 spectrum    1 weight  0.10000E+01 volume  0.83224E-03 ppm1      8.178 ppm2      0.711 CV     1
 ASSI {  608}
   (  segid "UBI " and resid 56   and name HD1%)
   (( segid "UBI " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak   608 spectrum    1 weight  0.10000E+01 volume  0.98986E-03 ppm1      8.178 ppm2      0.569 CV     1
 ASSI {  609}
   (( segid "UBI " and resid 58   and name HN  ))
   (( segid "UBI " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   609 spectrum    1 weight  0.10000E+01 volume  0.20995E-02 ppm1      8.270 ppm2      7.901 CV     1
 ASSI {  610}
   (( segid "UBI " and resid 59   and name HN  ))
   (( segid "UBI " and resid 57   and name HN  ))
      4.100     2.100     1.900 peak   610 spectrum    1 weight  0.10000E+01 volume  0.30076E-03 ppm1      8.271 ppm2      7.218 CV     1
 OR {  610}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 57   and name HN  ))
 ASSI {  611}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 57   and name HN  ))
      4.500     2.600     1.500 peak   611 spectrum    1 weight  0.10000E+01 volume  0.27156E-03 ppm1      8.272 ppm2      5.166 CV     1
 ASSI {  612}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.22396E-02 ppm1      8.271 ppm2      4.479 CV     1
 ASSI {  613}
   (( segid "UBI " and resid 20   and name HA  ))
   (( segid "UBI " and resid 57   and name HN  ))
      3.300     1.400     1.400 peak   613 spectrum    1 weight  0.10000E+01 volume  0.92856E-03 ppm1      8.270 ppm2      4.363 CV     1
 ASSI {  614}
   (( segid "UBI " and resid 57   and name HA  ))
   (( segid "UBI " and resid 57   and name HN  ))
      2.900     1.000     1.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.22338E-02 ppm1      8.267 ppm2      4.218 CV     1
 ASSI {  615}
   (( segid "UBI " and resid 56   and name HA  ))
   (( segid "UBI " and resid 57   and name HN  ))
      3.200     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.11184E-02 ppm1      8.269 ppm2      4.019 CV     1
 ASSI {  616}
   (( segid "UBI " and resid 57   and name HB2 ))
   (( segid "UBI " and resid 57   and name HN  ))
      2.600     0.800     0.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.37960E-02 ppm1      8.271 ppm2      3.849 CV     1
 ASSI {  617}
   (( segid "UBI " and resid 57   and name HB1 ))
   (( segid "UBI " and resid 57   and name HN  ))
      2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.33580E-02 ppm1      8.270 ppm2      3.747 CV     1
 ASSI {  619}
   (( segid "UBI " and resid 56   and name HG  ))
   (( segid "UBI " and resid 57   and name HN  ))
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.37084E-03 ppm1      8.272 ppm2      1.681 CV     1
 ASSI {  620}
   (( segid "UBI " and resid 56   and name HB1 ))
   (( segid "UBI " and resid 57   and name HN  ))
      3.700     1.700     1.700 peak   620 spectrum    1 weight  0.10000E+01 volume  0.90228E-03 ppm1      8.268 ppm2      1.228 CV     1
 ASSI {  621}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 57   and name HN  ))
      4.200     2.200     1.800 peak   621 spectrum    1 weight  0.10000E+01 volume  0.54896E-03 ppm1      8.269 ppm2      1.116 CV     1
 ASSI {  622}
   (  segid "UBI " and resid 56   and name HD2%)
   (( segid "UBI " and resid 57   and name HN  ))
      4.500     2.600     1.500 peak   622 spectrum    1 weight  0.10000E+01 volume  0.32412E-03 ppm1      8.268 ppm2      0.705 CV     1
 ASSI {  623}
   (  segid "UBI " and resid 56   and name HD1%)
   (( segid "UBI " and resid 57   and name HN  ))
      4.600     2.600     1.400 peak   623 spectrum    1 weight  0.10000E+01 volume  0.30368E-03 ppm1      8.267 ppm2      0.578 CV     1
 ASSI {  627}
   (( segid "UBI " and resid 59   and name HN  ))
   (( segid "UBI " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.29492E-02 ppm1      7.904 ppm2      7.217 CV     1
 OR {  627}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 58   and name HN  ))
 ASSI {  629}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak   629 spectrum    1 weight  0.10000E+01 volume  0.12001E-02 ppm1      7.906 ppm2      4.505 CV     1
 ASSI {  631}
   (( segid "UBI " and resid 56   and name HA  ))
   (( segid "UBI " and resid 58   and name HN  ))
      3.900     1.900     1.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.34164E-03 ppm1      7.907 ppm2      4.024 CV     1
 ASSI {  632}
   (( segid "UBI " and resid 57   and name HB2 ))
   (( segid "UBI " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak   632 spectrum    1 weight  0.10000E+01 volume  0.77968E-03 ppm1      7.906 ppm2      3.842 CV     1
 ASSI {  633}
   (( segid "UBI " and resid 57   and name HB1 ))
   (( segid "UBI " and resid 58   and name HN  ))
      3.400     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10016E-02 ppm1      7.906 ppm2      3.740 CV     1
 ASSI {  634}
   (( segid "UBI " and resid 58   and name HB1 ))
   (( segid "UBI " and resid 58   and name HN  ))
      2.600     0.900     0.900 peak   634 spectrum    1 weight  0.10000E+01 volume  0.47597E-02 ppm1      7.905 ppm2      2.958 CV     1
 ASSI {  635}
   (( segid "UBI " and resid 58   and name HB2 ))
   (( segid "UBI " and resid 58   and name HN  ))
      2.800     1.000     1.000 peak   635 spectrum    1 weight  0.10000E+01 volume  0.21053E-02 ppm1      7.905 ppm2      2.224 CV     1
 ASSI {  636}
   (( segid "UBI " and resid 56   and name HB2 ))
   (( segid "UBI " and resid 58   and name HN  ))
      4.300     2.300     1.700 peak   636 spectrum    1 weight  0.10000E+01 volume  0.31828E-03 ppm1      7.906 ppm2      2.046 CV     1
 ASSI {  637}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 58   and name HN  ))
      4.400     2.400     1.600 peak   637 spectrum    1 weight  0.10000E+01 volume  0.34456E-03 ppm1      7.905 ppm2      1.113 CV     1
 ASSI {  638}
   (( segid "UBI " and resid 60   and name HN  ))
   (( segid "UBI " and resid 59   and name HN  ))
      2.300     0.700     0.700 peak   638 spectrum    1 weight  0.10000E+01 volume  0.51977E-02 ppm1      7.214 ppm2      8.139 CV     1
 ASSI {  639}
   (( segid "UBI " and resid 58   and name HN  ))
   (( segid "UBI " and resid 59   and name HN  ))
      2.600     0.800     0.800 peak   639 spectrum    1 weight  0.10000E+01 volume  0.30368E-02 ppm1      7.214 ppm2      7.906 CV     1
 ASSI {  640}
   (( segid "UBI " and resid 59   and name HA  ))
   (( segid "UBI " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.17170E-02 ppm1      7.220 ppm2      4.650 CV     1
 ASSI {  642}
   (( segid "UBI " and resid 56   and name HA  ))
   (( segid "UBI " and resid 59   and name HN  ))
      3.500     1.600     1.600 peak   642 spectrum    1 weight  0.10000E+01 volume  0.56357E-03 ppm1      7.213 ppm2      4.016 CV     1
 ASSI {  643}
   (( segid "UBI " and resid 59   and name HB1 ))
   (( segid "UBI " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   643 spectrum    1 weight  0.10000E+01 volume  0.16381E-02 ppm1      7.215 ppm2      3.450 CV     1
 ASSI {  644}
   (( segid "UBI " and resid 58   and name HB1 ))
   (( segid "UBI " and resid 59   and name HN  ))
      2.900     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.14220E-02 ppm1      7.216 ppm2      2.955 CV     1
 ASSI {  645}
   (( segid "UBI " and resid 59   and name HB2 ))
   (( segid "UBI " and resid 59   and name HN  ))
      2.300     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      7.215 ppm2      2.471 CV     1
 ASSI {  646}
   (( segid "UBI " and resid 58   and name HB2 ))
   (( segid "UBI " and resid 59   and name HN  ))
      3.700     1.700     1.700 peak   646 spectrum    1 weight  0.10000E+01 volume  0.63656E-03 ppm1      7.217 ppm2      2.223 CV     1
 ASSI {  647}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 59   and name HN  ))
      4.600     2.600     1.400 peak   647 spectrum    1 weight  0.10000E+01 volume  0.29025E-03 ppm1      7.217 ppm2      1.097 CV     1
 ASSI {  649}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 59   and name HN  ))
      3.400     1.500     1.500 peak   649 spectrum    1 weight  0.10000E+01 volume  0.48181E-03 ppm1      7.214 ppm2      0.388 CV     1
 ASSI {  650}
   (( segid "UBI " and resid 58   and name HN  ))
   (( segid "UBI " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.52269E-03 ppm1      8.138 ppm2      7.905 CV     1
 ASSI {  651}
   (( segid "UBI " and resid 61   and name HN  ))
   (( segid "UBI " and resid 60   and name HN  ))
      2.600     0.800     0.800 peak   651 spectrum    1 weight  0.10000E+01 volume  0.37376E-02 ppm1      8.138 ppm2      7.295 CV     1
 ASSI {  652}
   (( segid "UBI " and resid 59   and name HN  ))
   (( segid "UBI " and resid 60   and name HN  ))
      2.300     0.700     0.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.65408E-02 ppm1      8.139 ppm2      7.220 CV     1
 OR {  652}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 60   and name HN  ))
 ASSI {  653}
   (( segid "UBI " and resid 59   and name HA  ))
   (( segid "UBI " and resid 60   and name HN  ))
      3.300     1.400     1.400 peak   653 spectrum    1 weight  0.10000E+01 volume  0.10424E-02 ppm1      8.140 ppm2      4.653 CV     1
 ASSI {  655}
   (( segid "UBI " and resid 60   and name HA  ))
   (( segid "UBI " and resid 60   and name HN  ))
      2.200     0.600     0.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.98986E-02 ppm1      8.139 ppm2      4.313 CV     1
 ASSI {  656}
   (( segid "UBI " and resid 59   and name HB1 ))
   (( segid "UBI " and resid 60   and name HN  ))
      4.900     2.900     1.100 peak   656 spectrum    1 weight  0.10000E+01 volume  0.17900E-03 ppm1      8.139 ppm2      3.450 CV     1
 ASSI {  657}
   (( segid "UBI " and resid 60   and name HB1 ))
   (( segid "UBI " and resid 60   and name HN  ))
      3.700     1.700     1.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      8.139 ppm2      3.290 CV     1
 ASSI {  658}
   (( segid "UBI " and resid 60   and name HB2 ))
   (( segid "UBI " and resid 60   and name HN  ))
      3.200     1.200     1.200 peak   658 spectrum    1 weight  0.10000E+01 volume  0.13753E-02 ppm1      8.140 ppm2      2.765 CV     1
 ASSI {  659}
   (( segid "UBI " and resid 59   and name HB2 ))
   (( segid "UBI " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak   659 spectrum    1 weight  0.10000E+01 volume  0.55188E-03 ppm1      8.141 ppm2      2.472 CV     1
 ASSI {  660}
   (( segid "UBI " and resid 61   and name HB  ))
   (( segid "UBI " and resid 60   and name HN  ))
      5.600     3.900     0.400 peak   660 spectrum    1 weight  0.10000E+01 volume  0.10366E-03 ppm1      8.146 ppm2      1.350 CV     1
 ASSI {  662}
   (( segid "UBI " and resid 62   and name HN  ))
   (( segid "UBI " and resid 61   and name HN  ))
      4.000     2.000     2.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.63072E-03 ppm1      7.286 ppm2      7.650 CV     1
 ASSI {  663}
   (( segid "UBI " and resid 60   and name HA  ))
   (( segid "UBI " and resid 61   and name HN  ))
      2.700     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.30368E-02 ppm1      7.284 ppm2      4.314 CV     1
 ASSI {  664}
   (( segid "UBI " and resid 57   and name HA  ))
   (( segid "UBI " and resid 61   and name HN  ))
      3.200     1.300     1.300 peak   664 spectrum    1 weight  0.10000E+01 volume  0.13520E-02 ppm1      7.284 ppm2      4.222 CV     1
 ASSI {  665}
   (( segid "UBI " and resid 56   and name HA  ))
   (( segid "UBI " and resid 61   and name HN  ))
      4.100     2.100     1.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.34748E-03 ppm1      7.283 ppm2      4.017 CV     1
 ASSI {  666}
   (( segid "UBI " and resid 59   and name HB1 ))
   (( segid "UBI " and resid 61   and name HN  ))
      4.100     2.200     1.900 peak   666 spectrum    1 weight  0.10000E+01 volume  0.57524E-03 ppm1      7.283 ppm2      3.446 CV     1
 ASSI {  667}
   (( segid "UBI " and resid 61   and name HA  ))
   (( segid "UBI " and resid 61   and name HN  ))
      2.800     1.000     1.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.22104E-02 ppm1      7.282 ppm2      3.359 CV     1
 ASSI {  668}
   (( segid "UBI " and resid 60   and name HB2 ))
   (( segid "UBI " and resid 61   and name HN  ))
      4.500     2.500     1.500 peak   668 spectrum    1 weight  0.10000E+01 volume  0.22572E-03 ppm1      7.280 ppm2      2.768 CV     1
 ASSI {  669}
   (( segid "UBI " and resid 59   and name HB2 ))
   (( segid "UBI " and resid 61   and name HN  ))
      3.700     1.800     1.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      7.284 ppm2      2.472 CV     1
 ASSI {  670}
   (( segid "UBI " and resid 61   and name HB  ))
   (( segid "UBI " and resid 61   and name HN  ))
      2.400     0.700     0.700 peak   670 spectrum    1 weight  0.10000E+01 volume  0.59276E-02 ppm1      7.283 ppm2      1.351 CV     1
 ASSI {  671}
   (( segid "UBI " and resid 56   and name HB1 ))
   (( segid "UBI " and resid 61   and name HN  ))
      3.400     1.500     1.500 peak   671 spectrum    1 weight  0.10000E+01 volume  0.68037E-03 ppm1      7.285 ppm2      1.235 CV     1
 ASSI {  672}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 61   and name HN  ))
      2.500     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.30076E-02 ppm1      7.284 ppm2      1.094 CV     1
 ASSI {  674}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 61   and name HN  ))
      3.600     1.600     1.600 peak   674 spectrum    1 weight  0.10000E+01 volume  0.17141E-02 ppm1      7.286 ppm2      0.406 CV     1
 ASSI {  675}
   (( segid "UBI " and resid 63   and name HN  ))
   (( segid "UBI " and resid 62   and name HN  ))
      4.600     2.600     1.400 peak   675 spectrum    1 weight  0.10000E+01 volume  0.23564E-03 ppm1      7.652 ppm2      8.446 CV     1
 ASSI {  678}
   (( segid "UBI " and resid 62   and name HA  ))
   (( segid "UBI " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.20236E-02 ppm1      7.652 ppm2      4.449 CV     1
 ASSI {  679}
   (( segid "UBI " and resid 65   and name HB1 ))
   (( segid "UBI " and resid 62   and name HN  ))
      3.700     1.700     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.57816E-03 ppm1      7.650 ppm2      3.875 CV     1
 ASSI {  680}
   (( segid "UBI " and resid 65   and name HB2 ))
   (( segid "UBI " and resid 62   and name HN  ))
      3.500     1.600     1.600 peak   680 spectrum    1 weight  0.10000E+01 volume  0.65992E-03 ppm1      7.649 ppm2      3.607 CV     1
 ASSI {  681}
   (( segid "UBI " and resid 61   and name HA  ))
   (( segid "UBI " and resid 62   and name HN  ))
      2.200     0.600     0.600 peak   681 spectrum    1 weight  0.10000E+01 volume  0.88772E-02 ppm1      7.651 ppm2      3.362 CV     1
 ASSI {  682}
   (( segid "UBI " and resid 62   and name HG2 ))
   (( segid "UBI " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.22280E-02 ppm1      7.648 ppm2      2.320 CV     1
 ASSI {  683}
   (( segid "UBI " and resid 62   and name HG1 ))
   (( segid "UBI " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak   683 spectrum    1 weight  0.10000E+01 volume  0.33288E-02 ppm1      7.649 ppm2      2.234 CV     1
 OR {  683}
   (( segid "UBI " and resid 62   and name HB1 ))
   (( segid "UBI " and resid 62   and name HN  ))
 ASSI {  684}
   (( segid "UBI " and resid 62   and name HB2 ))
   (( segid "UBI " and resid 62   and name HN  ))
      2.600     2.600     3.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.34164E-02 ppm1      7.652 ppm2      1.857 CV     1
 ASSI {  685}
   (( segid "UBI " and resid 61   and name HB  ))
   (( segid "UBI " and resid 62   and name HN  ))
      4.500     2.500     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.28645E-03 ppm1      7.651 ppm2      1.350 CV     1
 ASSI {  686}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.27886E-03 ppm1      7.649 ppm2      1.094 CV     1
 ASSI {  687}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 62   and name HN  ))
      4.500     2.500     1.500 peak   687 spectrum    1 weight  0.10000E+01 volume  0.28295E-03 ppm1      7.645 ppm2      0.597 CV     1
 OR {  687}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 62   and name HN  ))
 ASSI {  688}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.21287E-02 ppm1      7.651 ppm2      0.436 CV     1
 ASSI {  689}
   (( segid "UBI " and resid 64   and name HN  ))
   (( segid "UBI " and resid 63   and name HN  ))
      4.800     2.800     1.200 peak   689 spectrum    1 weight  0.10000E+01 volume  0.23711E-03 ppm1      8.441 ppm2      9.303 CV     1
 ASSI {  691}
   (( segid "UBI " and resid 62   and name HA  ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   691 spectrum    1 weight  0.10000E+01 volume  0.43801E-02 ppm1      8.441 ppm2      4.454 CV     1
 ASSI {  692}
   (( segid "UBI " and resid 63   and name HA  ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.900     1.000     1.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.21462E-02 ppm1      8.441 ppm2      3.938 CV     1
 ASSI {  693}
   (( segid "UBI " and resid 62   and name HB1 ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.500     0.800     0.800 peak   693 spectrum    1 weight  0.10000E+01 volume  0.48764E-02 ppm1      8.443 ppm2      2.219 CV     1
 ASSI {  694}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.24412E-02 ppm1      8.442 ppm2      2.008 CV     1
 ASSI {  696}
   (( segid "UBI " and resid 63   and name HD1 ))
   (( segid "UBI " and resid 63   and name HN  ))
      3.400     1.500     1.500 peak   696 spectrum    1 weight  0.10000E+01 volume  0.12293E-02 ppm1      8.441 ppm2      1.685 CV     1
 OR {  696}
   (( segid "UBI " and resid 63   and name HD2 ))
   (( segid "UBI " and resid 63   and name HN  ))
 ASSI {  697}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.800     1.000     1.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.25959E-02 ppm1      8.440 ppm2      1.455 CV     1
 OR {  697}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HN  ))
 ASSI {  699}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak   699 spectrum    1 weight  0.10000E+01 volume  0.89645E-03 ppm1      9.301 ppm2      4.117 CV     1
 ASSI {  700}
   (( segid "UBI " and resid 63   and name HA  ))
   (( segid "UBI " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   700 spectrum    1 weight  0.10000E+01 volume  0.62196E-02 ppm1      9.302 ppm2      3.935 CV     1
 ASSI {  701}
   (( segid "UBI " and resid 64   and name HA  ))
   (( segid "UBI " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.45260E-02 ppm1      9.303 ppm2      3.324 CV     1
 ASSI {  702}
   (( segid "UBI " and resid 64   and name HB1 ))
   (( segid "UBI " and resid 64   and name HN  ))
      4.300     2.300     1.700 peak   702 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      9.299 ppm2      2.506 CV     1
 ASSI {  703}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   703 spectrum    1 weight  0.10000E+01 volume  0.43801E-03 ppm1      9.302 ppm2      2.387 CV     1
 ASSI {  704}
   (( segid "UBI " and resid 64   and name HG1 ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.100     1.200     1.200 peak   704 spectrum    1 weight  0.10000E+01 volume  0.16265E-02 ppm1      9.303 ppm2      2.219 CV     1
 OR {  704}
   (( segid "UBI " and resid 64   and name HG2 ))
   (( segid "UBI " and resid 64   and name HN  ))
 ASSI {  706}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak   706 spectrum    1 weight  0.10000E+01 volume  0.66868E-03 ppm1      9.304 ppm2      1.853 CV     1
 ASSI {  707}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.45260E-03 ppm1      9.304 ppm2      1.457 CV     1
 OR {  707}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 64   and name HN  ))
 ASSI {  708}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 64   and name HN  ))
      3.200     1.300     1.300 peak   708 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      9.303 ppm2      0.579 CV     1
 ASSI {  709}
   (( segid "UBI " and resid 64   and name HN  ))
   (( segid "UBI " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.24324E-02 ppm1      7.701 ppm2      9.303 CV     1
 ASSI {  711}
   (( segid "UBI " and resid 4    and name HN  ))
   (( segid "UBI " and resid 65   and name HN  ))
      4.300     2.400     1.700 peak   711 spectrum    1 weight  0.10000E+01 volume  0.23009E-03 ppm1      7.700 ppm2      8.583 CV     1
 ASSI {  713}
   (( segid "UBI " and resid 65   and name HA  ))
   (( segid "UBI " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   713 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      7.700 ppm2      4.607 CV     1
 ASSI {  714}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 65   and name HN  ))
      3.200     1.300     1.300 peak   714 spectrum    1 weight  0.10000E+01 volume  0.94611E-03 ppm1      7.701 ppm2      4.124 CV     1
 ASSI {  715}
   (( segid "UBI " and resid 65   and name HB1 ))
   (( segid "UBI " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.21929E-02 ppm1      7.701 ppm2      3.898 CV     1
 ASSI {  716}
   (( segid "UBI " and resid 65   and name HB2 ))
   (( segid "UBI " and resid 65   and name HN  ))
      2.600     0.800     0.800 peak   716 spectrum    1 weight  0.10000E+01 volume  0.38836E-02 ppm1      7.701 ppm2      3.610 CV     1
 ASSI {  717}
   (( segid "UBI " and resid 64   and name HA  ))
   (( segid "UBI " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   717 spectrum    1 weight  0.10000E+01 volume  0.15681E-02 ppm1      7.701 ppm2      3.323 CV     1
 ASSI {  718}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 65   and name HN  ))
      4.000     2.000     2.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.33288E-03 ppm1      7.702 ppm2      2.365 CV     1
 ASSI {  721}
   (( segid "UBI " and resid 3    and name HB  ))
   (( segid "UBI " and resid 65   and name HN  ))
      4.100     2.100     1.900 peak   721 spectrum    1 weight  0.10000E+01 volume  0.34164E-03 ppm1      7.702 ppm2      1.728 CV     1
 ASSI {  722}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 65   and name HN  ))
      2.800     1.000     1.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.24528E-02 ppm1      7.702 ppm2      0.581 CV     1
 ASSI {  723}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 65   and name HN  ))
      3.600     1.700     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.70372E-03 ppm1      7.701 ppm2      0.434 CV     1
 ASSI {  724}
   (( segid "UBI " and resid 67   and name HN  ))
   (( segid "UBI " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.30368E-03 ppm1      8.712 ppm2      9.419 CV     1
 ASSI {  725}
   (( segid "UBI " and resid 65   and name HN  ))
   (( segid "UBI " and resid 66   and name HN  ))
      4.300     2.300     1.700 peak   725 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      8.709 ppm2      7.679 CV     1
 ASSI {  726}
   (  segid "UBI " and resid 45   and name HE% )
   (( segid "UBI " and resid 66   and name HN  ))
      3.400     1.400     1.400 peak   726 spectrum    1 weight  0.10000E+01 volume  0.80887E-03 ppm1      8.710 ppm2      7.509 CV     1
 ASSI {  727}
   (( segid "UBI " and resid 66   and name HA  ))
   (( segid "UBI " and resid 66   and name HN  ))
      3.100     1.200     1.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      8.711 ppm2      5.231 CV     1
 ASSI {  729}
   (( segid "UBI " and resid 65   and name HA  ))
   (( segid "UBI " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.65117E-02 ppm1      8.711 ppm2      4.607 CV     1
 ASSI {  730}
   (( segid "UBI " and resid 66   and name HB  ))
   (( segid "UBI " and resid 66   and name HN  ))
      2.600     0.900     0.900 peak   730 spectrum    1 weight  0.10000E+01 volume  0.35916E-02 ppm1      8.712 ppm2      4.025 CV     1
 ASSI {  731}
   (( segid "UBI " and resid 65   and name HB1 ))
   (( segid "UBI " and resid 66   and name HN  ))
      3.000     1.100     1.100 peak   731 spectrum    1 weight  0.10000E+01 volume  0.21521E-02 ppm1      8.712 ppm2      3.875 CV     1
 ASSI {  732}
   (( segid "UBI " and resid 65   and name HB2 ))
   (( segid "UBI " and resid 66   and name HN  ))
      3.500     1.600     1.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.96948E-03 ppm1      8.711 ppm2      3.609 CV     1
 ASSI {  733}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 66   and name HN  ))
      3.700     1.700     1.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.62488E-03 ppm1      8.711 ppm2      0.851 CV     1
 ASSI {  736}
   (( segid "UBI " and resid 66   and name HA  ))
   (( segid "UBI " and resid 67   and name HN  ))
      2.300     0.700     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.61612E-02 ppm1      9.411 ppm2      5.232 CV     1
 ASSI {  737}
   (( segid "UBI " and resid 67   and name HA  ))
   (( segid "UBI " and resid 67   and name HN  ))
      3.200     1.200     1.200 peak   737 spectrum    1 weight  0.10000E+01 volume  0.11037E-02 ppm1      9.413 ppm2      5.061 CV     1
 ASSI {  739}
   (( segid "UBI " and resid 66   and name HB  ))
   (( segid "UBI " and resid 67   and name HN  ))
      4.700     2.700     1.300 peak   739 spectrum    1 weight  0.10000E+01 volume  0.18046E-03 ppm1      9.416 ppm2      4.031 CV     1
 ASSI {  740}
   (( segid "UBI " and resid 4    and name HB1 ))
   (( segid "UBI " and resid 67   and name HN  ))
      4.100     2.100     1.900 peak   740 spectrum    1 weight  0.10000E+01 volume  0.33872E-03 ppm1      9.414 ppm2      3.003 CV     1
 ASSI {  741}
   (( segid "UBI " and resid 67   and name HG  ))
   (( segid "UBI " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.11768E-02 ppm1      9.411 ppm2      1.731 CV     1
 ASSI {  742}
   (( segid "UBI " and resid 67   and name HB2 ))
   (( segid "UBI " and resid 67   and name HN  ))
      2.600     0.900     0.900 peak   742 spectrum    1 weight  0.10000E+01 volume  0.32704E-02 ppm1      9.412 ppm2      1.594 CV     1
 OR {  742}
   (( segid "UBI " and resid 67   and name HB1 ))
   (( segid "UBI " and resid 67   and name HN  ))
 ASSI {  743}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 67   and name HN  ))
      3.200     1.300     1.300 peak   743 spectrum    1 weight  0.10000E+01 volume  0.16469E-02 ppm1      9.412 ppm2      0.851 CV     1
 ASSI {  744}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 67   and name HN  ))
      3.100     1.200     1.200 peak   744 spectrum    1 weight  0.10000E+01 volume  0.17987E-02 ppm1      9.411 ppm2      0.647 CV     1
 OR {  744}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HN  ))
 ASSI {  747}
   (( segid "UBI " and resid 67   and name HA  ))
   (( segid "UBI " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak   747 spectrum    1 weight  0.10000E+01 volume  0.60445E-02 ppm1      9.237 ppm2      5.053 CV     1
 ASSI {  748}
   (( segid "UBI " and resid 68   and name HB1 ))
   (( segid "UBI " and resid 68   and name HN  ))
      3.700     1.700     1.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.13140E-02 ppm1      9.236 ppm2      2.985 CV     1
 ASSI {  749}
   (( segid "UBI " and resid 68   and name HB2 ))
   (( segid "UBI " and resid 68   and name HN  ))
      2.600     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.26193E-02 ppm1      9.237 ppm2      2.826 CV     1
 ASSI {  750}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 68   and name HN  ))
      3.300     1.400     1.400 peak   750 spectrum    1 weight  0.10000E+01 volume  0.17141E-02 ppm1      9.237 ppm2      1.688 CV     1
 ASSI {  751}
   (( segid "UBI " and resid 67   and name HB1 ))
   (( segid "UBI " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.33288E-02 ppm1      9.240 ppm2      1.587 CV     1
 OR {  751}
   (( segid "UBI " and resid 67   and name HB2 ))
   (( segid "UBI " and resid 68   and name HN  ))
 ASSI {  755}
   (( segid "UBI " and resid 6    and name HN  ))
   (( segid "UBI " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak   755 spectrum    1 weight  0.10000E+01 volume  0.73876E-03 ppm1      8.340 ppm2      8.929 CV     1
 ASSI {  757}
   (( segid "UBI " and resid 7    and name HA  ))
   (( segid "UBI " and resid 69   and name HN  ))
      3.000     1.100     1.100 peak   757 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      8.340 ppm2      5.002 CV     1
 ASSI {  758}
   (( segid "UBI " and resid 68   and name HA  ))
   (( segid "UBI " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak   758 spectrum    1 weight  0.10000E+01 volume  0.94902E-02 ppm1      8.339 ppm2      5.129 CV     1
 ASSI {  759}
   (( segid "UBI " and resid 68   and name HB1 ))
   (( segid "UBI " and resid 69   and name HN  ))
      3.400     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.85554E-03 ppm1      8.339 ppm2      2.987 CV     1
 ASSI {  760}
   (( segid "UBI " and resid 68   and name HB2 ))
   (( segid "UBI " and resid 69   and name HN  ))
      4.300     2.300     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.40004E-03 ppm1      8.335 ppm2      2.839 CV     1
 ASSI {  761}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 69   and name HN  ))
      2.500     0.800     0.800 peak   761 spectrum    1 weight  0.10000E+01 volume  0.42048E-02 ppm1      8.340 ppm2      1.516 CV     1
 ASSI {  763}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.47597E-03 ppm1      8.338 ppm2      1.153 CV     1
 ASSI {  764}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 69   and name HN  ))
      2.900     1.000     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.24557E-02 ppm1      8.339 ppm2      1.044 CV     1
 ASSI {  765}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak   765 spectrum    1 weight  0.10000E+01 volume  0.98695E-03 ppm1      8.339 ppm2      0.791 CV     1
 ASSI {  769}
   (( segid "UBI " and resid 69   and name HA  ))
   (( segid "UBI " and resid 70   and name HN  ))
      2.300     0.700     0.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.67160E-02 ppm1      9.159 ppm2      5.167 CV     1
 ASSI {  770}
   (( segid "UBI " and resid 70   and name HA  ))
   (( segid "UBI " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak   770 spectrum    1 weight  0.10000E+01 volume  0.11067E-02 ppm1      9.158 ppm2      4.253 CV     1
 ASSI {  771}
   (( segid "UBI " and resid 70   and name HB  ))
   (( segid "UBI " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.18688E-02 ppm1      9.159 ppm2      1.880 CV     1
 ASSI {  773}
   (( segid "UBI " and resid 69   and name HG  ))
   (( segid "UBI " and resid 70   and name HN  ))
      3.500     1.500     1.500 peak   773 spectrum    1 weight  0.10000E+01 volume  0.65117E-03 ppm1      9.160 ppm2      1.263 CV     1
 ASSI {  774}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak   774 spectrum    1 weight  0.10000E+01 volume  0.54604E-03 ppm1      9.162 ppm2      1.047 CV     1
 ASSI {  775}
   (  segid "UBI " and resid 70   and name HG2%)
   (( segid "UBI " and resid 70   and name HN  ))
      3.200     1.300     1.300 peak   775 spectrum    1 weight  0.10000E+01 volume  0.95484E-03 ppm1      9.158 ppm2      0.899 CV     1
 ASSI {  778}
   (( segid "UBI " and resid 71   and name HA  ))
   (( segid "UBI " and resid 72   and name HN  ))
      2.200     0.600     0.600 peak   778 spectrum    1 weight  0.10000E+01 volume  0.82343E-02 ppm1      8.568 ppm2      5.024 CV     1
 ASSI {  779}
   (( segid "UBI " and resid 40   and name HA  ))
   (( segid "UBI " and resid 72   and name HN  ))
      3.300     1.400     1.400 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10074E-02 ppm1      8.567 ppm2      4.394 CV     1
 ASSI {  780}
   (( segid "UBI " and resid 72   and name HA  ))
   (( segid "UBI " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.22484E-02 ppm1      8.568 ppm2      4.255 CV     1
 ASSI {  781}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 72   and name HN  ))
      4.900     3.000     1.100 peak   781 spectrum    1 weight  0.10000E+01 volume  0.16820E-03 ppm1      8.569 ppm2      3.134 CV     1
 OR {  781}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  782}
   (( segid "UBI " and resid 40   and name HG2 ))
   (( segid "UBI " and resid 72   and name HN  ))
      3.200     1.200     1.200 peak   782 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      8.570 ppm2      2.413 CV     1
 OR {  782}
   (( segid "UBI " and resid 40   and name HG1 ))
   (( segid "UBI " and resid 72   and name HN  ))
 OR {  782}
   (( segid "UBI " and resid 40   and name HB1 ))
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  783}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.25112E-02 ppm1      8.568 ppm2      1.764 CV     1
 ASSI {  784}
   (( segid "UBI " and resid 71   and name HB1 ))
   (( segid "UBI " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   784 spectrum    1 weight  0.10000E+01 volume  0.14454E-02 ppm1      8.567 ppm2      1.649 CV     1
 OR {  784}
   (( segid "UBI " and resid 71   and name HG  ))
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  788}
   (( segid "UBI " and resid 72   and name HA  ))
   (( segid "UBI " and resid 73   and name HN  ))
      2.300     0.700     0.700 peak   788 spectrum    1 weight  0.10000E+01 volume  0.75339E-02 ppm1      8.431 ppm2      4.260 CV     1
 ASSI {  789}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 73   and name HN  ))
      4.600     2.600     1.400 peak   789 spectrum    1 weight  0.10000E+01 volume  0.20265E-03 ppm1      8.429 ppm2      3.139 CV     1
 OR {  789}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 73   and name HN  ))
 ASSI {  791}
   (( segid "UBI " and resid 73   and name HB2 ))
   (( segid "UBI " and resid 73   and name HN  ))
      2.400     2.400     3.600 peak   791 spectrum    1 weight  0.10000E+01 volume  0.54020E-02 ppm1      8.432 ppm2      1.628 CV     1
 ASSI {  793}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 73   and name HN  ))
      3.800     1.900     1.900 peak   793 spectrum    1 weight  0.10000E+01 volume  0.64241E-03 ppm1      8.433 ppm2      0.843 CV     1
 ASSI {  794}
   (( segid "UBI " and resid 73   and name HA  ))
   (( segid "UBI " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak   794 spectrum    1 weight  0.10000E+01 volume  0.62196E-02 ppm1      8.414 ppm2      4.341 CV     1
 ASSI {  795}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   795 spectrum    1 weight  0.10000E+01 volume  0.15710E-02 ppm1      8.415 ppm2      1.851 CV     1
 ASSI {  796}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak   796 spectrum    1 weight  0.10000E+01 volume  0.28529E-02 ppm1      8.415 ppm2      1.766 CV     1
 ASSI {  798}
   (( segid "UBI " and resid 73   and name HB1 ))
   (( segid "UBI " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak   798 spectrum    1 weight  0.10000E+01 volume  0.19593E-02 ppm1      8.415 ppm2      1.524 CV     1
 ASSI {  799}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 74   and name HN  ))
      4.100     2.100     1.900 peak   799 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      8.409 ppm2      0.848 CV     1
 ASSI {  801}
   (( segid "UBI " and resid 74   and name HA  ))
   (( segid "UBI " and resid 75   and name HN  ))
      2.900     1.100     1.100 peak   801 spectrum    1 weight  0.10000E+01 volume  0.20090E-02 ppm1      8.449 ppm2      4.302 CV     1
 ASSI {  802}
   (( segid "UBI " and resid 75   and name HA1 ))
   (( segid "UBI " and resid 75   and name HN  ))
      2.900     1.000     1.000 peak   802 spectrum    1 weight  0.10000E+01 volume  0.24382E-02 ppm1      8.449 ppm2      3.930 CV     1
 ASSI {  803}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   803 spectrum    1 weight  0.10000E+01 volume  0.32412E-03 ppm1      8.448 ppm2      1.853 CV     1
 ASSI {  804}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 75   and name HN  ))
      4.000     2.000     2.000 peak   804 spectrum    1 weight  0.10000E+01 volume  0.38252E-03 ppm1      8.451 ppm2      1.770 CV     1
 ASSI {  805}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak   805 spectrum    1 weight  0.10000E+01 volume  0.31244E-03 ppm1      8.447 ppm2      1.610 CV     1
 OR {  805}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 75   and name HN  ))
 ASSI {  806}
   (( segid "UBI " and resid 75   and name HN  ))
   (( segid "UBI " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.42048E-03 ppm1      7.945 ppm2      8.439 CV     1
 ASSI {  807}
   (( segid "UBI " and resid 76   and name HA2 ))
   (( segid "UBI " and resid 76   and name HN  ))
      3.400     1.400     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.91400E-03 ppm1      7.947 ppm2      3.935 CV     1
 OR {  807}
   (( segid "UBI " and resid 76   and name HA1 ))
   (( segid "UBI " and resid 76   and name HN  ))
 ASSI {  808}
   (( segid "UBI " and resid 75   and name HA2 ))
   (( segid "UBI " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak   808 spectrum    1 weight  0.10000E+01 volume  0.87600E-03 ppm1      7.949 ppm2      3.761 CV     1
 ASSI {  810}
   (  segid "UBI " and resid 46   and name HB% )
   (( segid "UBI " and resid 46   and name HN  ))
      3.300     1.400     1.400 peak   810 spectrum    1 weight  0.10000E+01 volume  0.11213E-02 ppm1      8.802 ppm2      0.852 CV     1
 ASSI {  811}
   (( segid "UBI " and resid 46   and name HA  ))
   (( segid "UBI " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.34748E-02 ppm1      8.803 ppm2      3.544 CV     1
 ASSI {  812}
   (( segid "UBI " and resid 46   and name HA  ))
   (( segid "UBI " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak   812 spectrum    1 weight  0.10000E+01 volume  0.28966E-02 ppm1      8.214 ppm2      3.547 CV     1
 ASSI {  814}
   (( segid "UBI " and resid 72   and name HN  ))
   (( segid "UBI " and resid 71   and name HN  ))
      4.500     2.500     1.500 peak   814 spectrum    1 weight  0.10000E+01 volume  0.29492E-03 ppm1      8.124 ppm2      8.568 CV     1
 ASSI {  815}
   (( segid "UBI " and resid 70   and name HN  ))
   (( segid "UBI " and resid 71   and name HN  ))
      4.200     2.200     1.800 peak   815 spectrum    1 weight  0.10000E+01 volume  0.33872E-03 ppm1      8.125 ppm2      9.157 CV     1
 ASSI {  816}
   (( segid "UBI " and resid 71   and name HA  ))
   (( segid "UBI " and resid 71   and name HN  ))
      3.000     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      8.123 ppm2      5.023 CV     1
 ASSI {  817}
   (( segid "UBI " and resid 70   and name HA  ))
   (( segid "UBI " and resid 71   and name HN  ))
      2.300     0.600     0.600 peak   817 spectrum    1 weight  0.10000E+01 volume  0.77086E-02 ppm1      8.124 ppm2      4.254 CV     1
 ASSI {  819}
   (( segid "UBI " and resid 71   and name HG  ))
   (( segid "UBI " and resid 71   and name HN  ))
      2.600     0.900     0.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.63072E-02 ppm1      8.124 ppm2      1.652 CV     1
 OR {  819}
   (( segid "UBI " and resid 71   and name HB1 ))
   (( segid "UBI " and resid 71   and name HN  ))
 ASSI {  820}
   (( segid "UBI " and resid 71   and name HB2 ))
   (( segid "UBI " and resid 71   and name HN  ))
      2.900     1.000     1.000 peak   820 spectrum    1 weight  0.10000E+01 volume  0.16849E-02 ppm1      8.125 ppm2      1.481 CV     1
 ASSI {  824}
   (( segid "UBI " and resid 7    and name HB  ))
   (( segid "UBI " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   824 spectrum    1 weight  0.10000E+01 volume  0.48764E-02 ppm1      9.246 ppm2      4.778 CV     1
 ASSI {  825}
   (  segid "UBI " and resid 8    and name HD1%)
   (( segid "UBI " and resid 8    and name HN  ))
      4.300     2.300     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.27769E-03 ppm1      9.247 ppm2      1.037 CV     1
 ASSI {  826}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 8    and name HN  ))
      5.000     3.200     1.000 peak   826 spectrum    1 weight  0.10000E+01 volume  0.11972E-03 ppm1      9.243 ppm2      1.530 CV     1
 ASSI {  827}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 6    and name HN  ))
      4.000     2.000     2.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.52852E-03 ppm1      8.930 ppm2      1.446 CV     1
 ASSI {  828}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 7    and name HN  ))
      3.300     1.400     1.400 peak   828 spectrum    1 weight  0.10000E+01 volume  0.10716E-02 ppm1      8.704 ppm2      1.261 CV     1
 OR {  828}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 7    and name HN  ))
 ASSI {  829}
   (( segid "UBI " and resid 8    and name HG  ))
   (( segid "UBI " and resid 9    and name HN  ))
      4.100     2.100     1.900 peak   829 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      7.634 ppm2      1.833 CV     1
 ASSI {  830}
   (( segid "UBI " and resid 11   and name HD1 ))
   (( segid "UBI " and resid 12   and name HN  ))
      4.400     2.500     1.600 peak   830 spectrum    1 weight  0.10000E+01 volume  0.29784E-03 ppm1      8.639 ppm2      1.580 CV     1
 OR {  830}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 12   and name HN  ))
 ASSI {  833}
   (( segid "UBI " and resid 22   and name HB  ))
   (( segid "UBI " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   833 spectrum    1 weight  0.10000E+01 volume  0.38544E-02 ppm1      8.676 ppm2      4.735 CV     1
 ASSI {  834}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 24   and name HN  ))
      4.800     2.800     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.14541E-03 ppm1      9.418 ppm2      0.743 CV     1
 ASSI {  835}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 24   and name HN  ))
      6.000     4.600     0.000 peak   835 spectrum    1 weight  0.10000E+01 volume  0.55773E-04 ppm1      9.426 ppm2      1.232 CV     1
 ASSI {  838}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 26   and name HN  ))
      4.100     2.100     1.900 peak   838 spectrum    1 weight  0.10000E+01 volume  0.45844E-03 ppm1      8.118 ppm2      1.561 CV     1
 OR {  838}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 26   and name HN  ))
 ASSI {  839}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.11008E-02 ppm1      8.120 ppm2      0.754 CV     1
 ASSI {  841}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 27   and name HN  ))
      3.700     1.700     1.700 peak   841 spectrum    1 weight  0.10000E+01 volume  0.28412E-03 ppm1      8.535 ppm2      0.852 CV     1
 ASSI {  842}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 29   and name HN  ))
      4.600     2.700     1.400 peak   842 spectrum    1 weight  0.10000E+01 volume  0.12732E-03 ppm1      7.998 ppm2      4.603 CV     1
 ASSI {  843}
   (( segid "UBI " and resid 25   and name HA  ))
   (( segid "UBI " and resid 29   and name HN  ))
      4.200     2.200     1.800 peak   843 spectrum    1 weight  0.10000E+01 volume  0.26718E-03 ppm1      7.998 ppm2      4.458 CV     1
 ASSI {  845}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak   845 spectrum    1 weight  0.10000E+01 volume  0.22309E-03 ppm1      8.386 ppm2      0.742 CV     1
 ASSI {  847}
   (( segid "UBI " and resid 44   and name HG12))
   (( segid "UBI " and resid 44   and name HN  ))
      3.500     1.500     1.500 peak   847 spectrum    1 weight  0.10000E+01 volume  0.12761E-02 ppm1      9.153 ppm2      1.042 CV     1
 ASSI {  848}
   (( segid "UBI " and resid 44   and name HN  ))
   (( segid "UBI " and resid 45   and name HN  ))
      4.500     2.500     1.500 peak   848 spectrum    1 weight  0.10000E+01 volume  0.24324E-03 ppm1      8.797 ppm2      9.156 CV     1
 ASSI {  849}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 46   and name HN  ))
      4.700     2.700     1.300 peak   849 spectrum    1 weight  0.10000E+01 volume  0.15943E-03 ppm1      8.807 ppm2      0.646 CV     1
 ASSI {  850}
   (( segid "UBI " and resid 45   and name HA  ))
   (( segid "UBI " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.24441E-03 ppm1      8.215 ppm2      5.022 CV     1
 ASSI {  854}
   (( segid "UBI " and resid 49   and name HG1 ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   854 spectrum    1 weight  0.10000E+01 volume  0.55480E-03 ppm1      8.575 ppm2      2.120 CV     1
 ASSI {  855}
   (( segid "UBI " and resid 49   and name HB1 ))
   (( segid "UBI " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.34164E-02 ppm1      8.630 ppm2      1.903 CV     1
 ASSI {  856}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 54   and name HN  ))
      3.500     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.64533E-03 ppm1      7.369 ppm2      1.957 CV     1
 ASSI {  858}
   (( segid "UBI " and resid 60   and name HA  ))
   (( segid "UBI " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      7.215 ppm2      4.315 CV     1
 ASSI {  860}
   (( segid "UBI " and resid 2    and name HN  ))
   (( segid "UBI " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak   860 spectrum    1 weight  0.10000E+01 volume  0.23506E-03 ppm1      9.304 ppm2      8.948 CV     1
 ASSI {  862}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 65   and name HN  ))
      5.000     3.100     1.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.11446E-03 ppm1      7.702 ppm2      1.459 CV     1
 OR {  862}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 65   and name HN  ))
 ASSI {  864}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 68   and name HN  ))
      4.200     2.200     1.800 peak   864 spectrum    1 weight  0.10000E+01 volume  0.29142E-03 ppm1      9.243 ppm2      0.774 CV     1
 ASSI {  865}
   (( segid "UBI " and resid 43   and name HA  ))
   (( segid "UBI " and resid 68   and name HN  ))
      4.500     2.600     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.24441E-03 ppm1      9.240 ppm2      5.341 CV     1
 ASSI {  866}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 70   and name HN  ))
      3.800     1.800     1.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.44676E-03 ppm1      9.162 ppm2      1.717 CV     1
 ASSI {  867}
   (( segid "UBI " and resid 70   and name HN  ))
   (( segid "UBI " and resid 72   and name HN  ))
      4.900     3.000     1.100 peak   867 spectrum    1 weight  0.10000E+01 volume  0.14075E-03 ppm1      8.568 ppm2      9.150 CV     1
 ASSI {  869}
   (( segid "UBI " and resid 73   and name HA  ))
   (( segid "UBI " and resid 73   and name HN  ))
      2.600     0.900     0.900 peak   869 spectrum    1 weight  0.10000E+01 volume  0.35041E-02 ppm1      8.431 ppm2      4.344 CV     1
 ASSI {  870}
   (  segid "UBI " and resid 73   and name HD2%)
   (( segid "UBI " and resid 73   and name HN  ))
      3.500     1.600     1.600 peak   870 spectrum    1 weight  0.10000E+01 volume  0.68621E-03 ppm1      8.433 ppm2      0.888 CV     1
 ASSI {  871}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 41   and name HE22))
      3.600     1.600     1.600 peak   871 spectrum    1 weight  0.10000E+01 volume  0.59276E-03 ppm1      6.472 ppm2      4.593 CV     1
 ASSI {  873}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 41   and name HE22))
      4.100     2.100     1.900 peak   873 spectrum    1 weight  0.10000E+01 volume  0.56649E-03 ppm1      6.474 ppm2      4.078 CV     1
 ASSI {  874}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 41   and name HE21))
      3.500     1.500     1.500 peak   874 spectrum    1 weight  0.10000E+01 volume  0.50808E-03 ppm1      6.067 ppm2      4.090 CV     1
 ASSI {  876}
   (( segid "UBI " and resid 41   and name HG1 ))
   (( segid "UBI " and resid 41   and name HE21))
      3.000     1.100     1.100 peak   876 spectrum    1 weight  0.10000E+01 volume  0.16206E-02 ppm1      6.063 ppm2      2.486 CV     1
 ASSI {  877}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 41   and name HE21))
      4.100     2.100     1.900 peak   877 spectrum    1 weight  0.10000E+01 volume  0.83515E-03 ppm1      6.063 ppm2      2.322 CV     1
 ASSI {  878}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 41   and name HE22))
      2.800     1.000     1.000 peak   878 spectrum    1 weight  0.10000E+01 volume  0.17199E-02 ppm1      6.473 ppm2      2.319 CV     1
 ASSI {  881}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 41   and name HE22))
      4.100     2.100     1.900 peak   881 spectrum    1 weight  0.10000E+01 volume  0.60445E-03 ppm1      6.478 ppm2      1.598 CV     1
 ASSI {  882}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 41   and name HE21))
      3.200     1.300     1.300 peak   882 spectrum    1 weight  0.10000E+01 volume  0.73293E-03 ppm1      6.062 ppm2      1.602 CV     1
 ASSI {  883}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 41   and name HE22))
      3.400     1.400     1.400 peak   883 spectrum    1 weight  0.10000E+01 volume  0.76213E-03 ppm1      6.471 ppm2      1.394 CV     1
 ASSI {  884}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 41   and name HE21))
      3.600     1.600     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.61029E-03 ppm1      6.063 ppm2      1.388 CV     1
 ASSI {  886}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 41   and name HE21))
      3.500     1.600     1.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.58108E-03 ppm1      6.060 ppm2      0.913 CV     1
 ASSI {  887}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 41   and name HE22))
      3.200     1.200     1.200 peak   887 spectrum    1 weight  0.10000E+01 volume  0.92565E-03 ppm1      6.471 ppm2      0.662 CV     1
 ASSI {  888}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 41   and name HE21))
      4.300     2.300     1.700 peak   888 spectrum    1 weight  0.10000E+01 volume  0.69497E-03 ppm1      6.063 ppm2      0.658 CV     1
 ASSI {  889}
   (( segid "UBI " and resid 31   and name HN  ))
   (( segid "UBI " and resid 41   and name HE22))
      3.700     1.700     1.700 peak   889 spectrum    1 weight  0.10000E+01 volume  0.45844E-03 ppm1      6.469 ppm2      8.474 CV     1
 ASSI {  891}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 32   and name HN  ))
      3.300     1.300     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.12410E-02 ppm1      8.133 ppm2      1.883 CV     1
 ASSI {  895}
   (( segid "UBI " and resid 15   and name HA  ))
   (( segid "UBI " and resid 17   and name HN  ))
      3.600     3.600     2.400 peak   895 spectrum    1 weight  0.10000E+01 volume  0.13432E-02 ppm1      8.934 ppm2      4.761 CV     1
 ASSI {  896}
   (( segid "UBI " and resid 20   and name HA  ))
   (( segid "UBI " and resid 56   and name HN  ))
      3.500     1.600     1.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.66868E-03 ppm1      8.185 ppm2      4.369 CV     1
 ASSI {    4}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD1%)
      3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1     -0.184 ppm2      3.107 CV     1
 ASSI {    5}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD1%)
      2.700     0.900     0.900 peak     5 spectrum    1 weight  0.10000E+01 volume  0.22231E-02 ppm1     -0.183 ppm2      2.742 CV     1
 ASSI {    9}
   (( segid "UBI " and resid 50   and name HG  ))
   (  segid "UBI " and resid 50   and name HD1%)
      2.400     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.57372E-02 ppm1     -0.181 ppm2      1.456 CV     1
 OR {    9}
   (( segid "UBI " and resid 50   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD1%)
 ASSI {   10}
   (( segid "UBI " and resid 50   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD1%)
      2.800     0.900     0.900 peak    10 spectrum    1 weight  0.10000E+01 volume  0.22060E-02 ppm1     -0.183 ppm2      0.989 CV     1
 ASSI {   13}
   (  segid "UBI " and resid 50   and name HD2%)
   (  segid "UBI " and resid 50   and name HD1%)
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.55063E-02 ppm1     -0.182 ppm2      0.498 CV     1
 ASSI {   15}
   (  segid "UBI " and resid 59   and name HE% )
   (  segid "UBI " and resid 50   and name HD1%)
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.98329E-03 ppm1     -0.183 ppm2      0.263 CV     1
 ASSI {   16}
   (( segid "UBI " and resid 1    and name HG2 ))
   (  segid "UBI " and resid 17   and name HG2%)
      2.800     2.800     3.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      0.410 ppm2      2.486 CV     1
 ASSI {   17}
   (( segid "UBI " and resid 17   and name HB  ))
   (  segid "UBI " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.53524E-02 ppm1      0.409 ppm2      2.326 CV     1
 ASSI {   19}
   (( segid "UBI " and resid 1    and name HG1 ))
   (  segid "UBI " and resid 17   and name HG2%)
      2.900     2.900     3.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      0.412 ppm2      1.994 CV     1
 OR {   19}
   (( segid "UBI " and resid 1    and name HB2 ))
   (  segid "UBI " and resid 17   and name HG2%)
 ASSI {   21}
   (( segid "UBI " and resid 52   and name HA  ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.900     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      0.751 ppm2      4.291 CV     1
 ASSI {   23}
   (( segid "UBI " and resid 27   and name HE1 ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.600     0.800     0.800 peak    23 spectrum    1 weight  0.10000E+01 volume  0.33944E-02 ppm1      0.751 ppm2      2.592 CV     1
 OR {   23}
   (( segid "UBI " and resid 27   and name HE2 ))
   (  segid "UBI " and resid 23   and name HG2%)
 ASSI {   24}
   (( segid "UBI " and resid 23   and name HB  ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.400     0.700     0.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.46342E-02 ppm1      0.752 ppm2      2.463 CV     1
 ASSI {   26}
   (( segid "UBI " and resid 27   and name HG2 ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.800     1.000     1.000 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      0.748 ppm2      1.545 CV     1
 OR {   26}
   (( segid "UBI " and resid 27   and name HG1 ))
   (  segid "UBI " and resid 23   and name HG2%)
 ASSI {   27}
   (( segid "UBI " and resid 50   and name HB1 ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.600     0.900     0.900 peak    27 spectrum    1 weight  0.10000E+01 volume  0.27874E-02 ppm1      0.751 ppm2      1.444 CV     1
 ASSI {   28}
   (( segid "UBI " and resid 23   and name HG11))
   (  segid "UBI " and resid 23   and name HG2%)
      2.500     0.800     0.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      0.754 ppm2      1.286 CV     1
 ASSI {   30}
   (( segid "UBI " and resid 41   and name HG2 ))
   (  segid "UBI " and resid 36   and name HG2%)
      2.700     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      0.920 ppm2      1.621 CV     1
 ASSI {   34}
   (( segid "UBI " and resid 13   and name HB  ))
   (  segid "UBI " and resid 13   and name HG2%)
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.49335E-02 ppm1      0.854 ppm2      1.828 CV     1
 ASSI {   36}
   (( segid "UBI " and resid 27   and name HD1 ))
   (  segid "UBI " and resid 23   and name HG2%)
      3.300     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      0.735 ppm2      1.688 CV     1
 OR {   36}
   (( segid "UBI " and resid 27   and name HD2 ))
   (  segid "UBI " and resid 23   and name HG2%)
 ASSI {   43}
   (( segid "UBI " and resid 33   and name HD1 ))
   (  segid "UBI " and resid 13   and name HG2%)
      3.100     1.200     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13339E-02 ppm1      0.856 ppm2      1.694 CV     1
 OR {   43}
   (( segid "UBI " and resid 33   and name HD2 ))
   (  segid "UBI " and resid 13   and name HG2%)
 ASSI {   50}
   (( segid "UBI " and resid 1    and name HG2 ))
   (  segid "UBI " and resid 1    and name HE% )
      2.700     0.900     0.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.24368E-02 ppm1      1.658 ppm2      2.485 CV     1
 ASSI {   52}
   (( segid "UBI " and resid 1    and name HB1 ))
   (  segid "UBI " and resid 1    and name HE% )
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      1.661 ppm2      2.148 CV     1
 ASSI {   53}
   (( segid "UBI " and resid 1    and name HG1 ))
   (  segid "UBI " and resid 1    and name HE% )
      2.600     0.800     0.800 peak    53 spectrum    1 weight  0.10000E+01 volume  0.36338E-02 ppm1      1.660 ppm2      1.996 CV     1
 ASSI {   67}
   (( segid "UBI " and resid 61   and name HA  ))
   (  segid "UBI " and resid 61   and name HG2%)
      2.700     0.900     0.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.24026E-02 ppm1      0.454 ppm2      3.363 CV     1
 ASSI {   70}
   (( segid "UBI " and resid 1    and name HG1 ))
   (  segid "UBI " and resid 3    and name HG2%)
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      0.599 ppm2      1.999 CV     1
 OR {   70}
   (( segid "UBI " and resid 1    and name HB2 ))
   (  segid "UBI " and resid 3    and name HG2%)
 ASSI {   72}
   (( segid "UBI " and resid 30   and name HB  ))
   (  segid "UBI " and resid 30   and name HG2%)
      2.400     0.700     0.700 peak    72 spectrum    1 weight  0.10000E+01 volume  0.46086E-02 ppm1      0.675 ppm2      2.327 CV     1
 ASSI {   73}
   (( segid "UBI " and resid 30   and name HA  ))
   (  segid "UBI " and resid 30   and name HG2%)
      2.700     0.900     0.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.22744E-02 ppm1      0.675 ppm2      3.486 CV     1
 ASSI {   78}
   (( segid "UBI " and resid 30   and name HG11))
   (  segid "UBI " and resid 30   and name HG2%)
      3.500     1.500     1.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.94051E-03 ppm1      0.676 ppm2      1.995 CV     1
 ASSI {   80}
   (( segid "UBI " and resid 61   and name HG11))
   (  segid "UBI " and resid 61   and name HG2%)
      3.300     1.400     1.400 peak    80 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      0.454 ppm2      1.101 CV     1
 ASSI {   81}
   (( segid "UBI " and resid 61   and name HB  ))
   (  segid "UBI " and resid 61   and name HG2%)
      2.400     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.50019E-02 ppm1      0.452 ppm2      1.367 CV     1
 ASSI {   83}
   (  segid "UBI " and resid 1    and name HE% )
   (  segid "UBI " and resid 61   and name HG2%)
      3.300     1.300     1.300 peak    83 spectrum    1 weight  0.10000E+01 volume  0.94051E-03 ppm1      0.451 ppm2      1.655 CV     1
 ASSI {   84}
   (( segid "UBI " and resid 46   and name HA  ))
   (  segid "UBI " and resid 46   and name HB% )
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.58911E-02 ppm1      0.860 ppm2      3.553 CV     1
 ASSI {   88}
   (( segid "UBI " and resid 47   and name HA1 ))
   (( segid "UBI " and resid 47   and name HA2 ))
      1.800     0.400     0.400 peak    88 spectrum    1 weight  0.10000E+01 volume  0.16160E-01 ppm1      3.402 ppm2      4.028 CV     1
 ASSI {   89}
   (( segid "UBI " and resid 10   and name HA2 ))
   (( segid "UBI " and resid 10   and name HA1 ))
      1.900     0.400     0.400 peak    89 spectrum    1 weight  0.10000E+01 volume  0.16844E-01 ppm1      3.600 ppm2      4.299 CV     1
 ASSI {   90}
   (( segid "UBI " and resid 43   and name HB1 ))
   (( segid "UBI " and resid 43   and name HB2 ))
      1.900     0.400     0.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.15818E-01 ppm1      1.117 ppm2      1.539 CV     1
 ASSI {   91}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 43   and name HB2 ))
      2.600     0.900     0.900 peak    91 spectrum    1 weight  0.10000E+01 volume  0.32491E-02 ppm1      1.122 ppm2      1.434 CV     1
 ASSI {   99}
   (( segid "UBI " and resid 30   and name HB  ))
   (  segid "UBI " and resid 30   and name HD1%)
      2.700     0.900     0.900 peak    99 spectrum    1 weight  0.10000E+01 volume  0.29242E-02 ppm1      0.870 ppm2      2.329 CV     1
 ASSI {  100}
   (( segid "UBI " and resid 30   and name HG11))
   (  segid "UBI " and resid 30   and name HD1%)
      2.300     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.57543E-02 ppm1      0.873 ppm2      1.999 CV     1
 ASSI {  101}
   (( segid "UBI " and resid 13   and name HG11))
   (  segid "UBI " and resid 13   and name HD1%)
      2.500     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.43863E-02 ppm1      0.694 ppm2      1.051 CV     1
 ASSI {  102}
   (( segid "UBI " and resid 11   and name HG1 ))
   (  segid "UBI " and resid 13   and name HD1%)
      2.700     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.25736E-02 ppm1      0.693 ppm2      1.164 CV     1
 ASSI {  107}
   (( segid "UBI " and resid 34   and name HG1 ))
   (  segid "UBI " and resid 13   and name HD1%)
      2.800     2.800     3.200 peak   107 spectrum    1 weight  0.10000E+01 volume  0.13595E-02 ppm1      0.692 ppm2      2.144 CV     1
 ASSI {  109}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 69   and name HB2 ))
      1.900     0.400     0.400 peak   109 spectrum    1 weight  0.10000E+01 volume  0.14193E-01 ppm1      1.059 ppm2      1.531 CV     1
 ASSI {  110}
   (( segid "UBI " and resid 3    and name HG11))
   (  segid "UBI " and resid 3    and name HD1%)
      2.200     0.600     0.600 peak   110 spectrum    1 weight  0.10000E+01 volume  0.81141E-02 ppm1      0.564 ppm2      1.019 CV     1
 ASSI {  111}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 3    and name HD1%)
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.37365E-02 ppm1      0.565 ppm2      1.735 CV     1
 ASSI {  112}
   (( segid "UBI " and resid 44   and name HG12))
   (  segid "UBI " and resid 44   and name HD1%)
      2.500     0.800     0.800 peak   112 spectrum    1 weight  0.10000E+01 volume  0.33602E-02 ppm1      0.685 ppm2      1.039 CV     1
 ASSI {  114}
   (( segid "UBI " and resid 11   and name HD1 ))
   (  segid "UBI " and resid 13   and name HD1%)
      3.400     1.400     1.400 peak   114 spectrum    1 weight  0.10000E+01 volume  0.75839E-03 ppm1      0.696 ppm2      1.581 CV     1
 OR {  114}
   (( segid "UBI " and resid 11   and name HD2 ))
   (  segid "UBI " and resid 13   and name HD1%)
 ASSI {  115}
   (( segid "UBI " and resid 15   and name HB1 ))
   (  segid "UBI " and resid 3    and name HD1%)
      3.300     1.300     1.300 peak   115 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      0.565 ppm2      1.350 CV     1
 ASSI {  116}
   (( segid "UBI " and resid 61   and name HG11))
   (  segid "UBI " and resid 61   and name HD1%)
      2.400     0.700     0.700 peak   116 spectrum    1 weight  0.10000E+01 volume  0.39331E-02 ppm1      0.401 ppm2      1.104 CV     1
 ASSI {  119}
   (( segid "UBI " and resid 59   and name HB2 ))
   (  segid "UBI " and resid 61   and name HD1%)
      2.900     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.19580E-02 ppm1      0.401 ppm2      2.482 CV     1
 ASSI {  125}
   (( segid "UBI " and resid 34   and name HB1 ))
   (  segid "UBI " and resid 36   and name HD1%)
      3.000     1.100     1.100 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12484E-02 ppm1      0.761 ppm2      2.254 CV     1
 ASSI {  126}
   (  segid "UBI " and resid 36   and name HG2%)
   (  segid "UBI " and resid 36   and name HD1%)
      2.200     0.600     0.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.93200E-02 ppm1      0.759 ppm2      0.920 CV     1
 ASSI {  127}
   (( segid "UBI " and resid 36   and name HG12))
   (  segid "UBI " and resid 36   and name HD1%)
      2.200     0.600     0.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.83963E-02 ppm1      0.759 ppm2      1.054 CV     1
 ASSI {  128}
   (( segid "UBI " and resid 36   and name HG11))
   (  segid "UBI " and resid 36   and name HD1%)
      2.300     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.73532E-02 ppm1      0.759 ppm2      1.374 CV     1
 OR {  128}
   (( segid "UBI " and resid 36   and name HB  ))
   (  segid "UBI " and resid 36   and name HD1%)
 ASSI {  131}
   (( segid "UBI " and resid 34   and name HG2 ))
   (  segid "UBI " and resid 13   and name HD1%)
      3.100     3.100     2.900 peak   131 spectrum    1 weight  0.10000E+01 volume  0.80626E-03 ppm1      0.694 ppm2      2.052 CV     1
 ASSI {  134}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 55   and name HB  ))
      2.800     0.900     0.900 peak   134 spectrum    1 weight  0.10000E+01 volume  0.21034E-02 ppm1      4.480 ppm2      5.183 CV     1
 ASSI {  138}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.33944E-02 ppm1      1.743 ppm2      4.134 CV     1
 ASSI {  140}
   (( segid "UBI " and resid 50   and name HB1 ))
   (( segid "UBI " and resid 50   and name HB2 ))
      1.900     0.400     0.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.15732E-01 ppm1      0.986 ppm2      1.450 CV     1
 ASSI {  145}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 21   and name HB1 ))
      1.800     0.400     0.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.18811E-01 ppm1      2.526 ppm2      2.942 CV     1
 ASSI {  146}
   (( segid "UBI " and resid 58   and name HB1 ))
   (( segid "UBI " and resid 58   and name HB2 ))
      1.900     0.400     0.400 peak   146 spectrum    1 weight  0.10000E+01 volume  0.17271E-01 ppm1      2.233 ppm2      2.965 CV     1
 ASSI {  147}
   (( segid "UBI " and resid 59   and name HB1 ))
   (( segid "UBI " and resid 59   and name HB2 ))
      1.900     0.400     0.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.13937E-01 ppm1      2.489 ppm2      3.457 CV     1
 ASSI {  149}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 32   and name HB2 ))
      3.300     1.400     1.400 peak   149 spectrum    1 weight  0.10000E+01 volume  0.76609E-03 ppm1      2.719 ppm2      4.186 CV     1
 ASSI {  151}
   (( segid "UBI " and resid 56   and name HB2 ))
   (( segid "UBI " and resid 56   and name HB1 ))
      1.800     0.400     0.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.17528E-01 ppm1      1.247 ppm2      2.046 CV     1
 ASSI {  158}
   (( segid "UBI " and resid 56   and name HB1 ))
   (  segid "UBI " and resid 1    and name HE% )
      3.200     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.93200E-03 ppm1      1.663 ppm2      1.243 CV     1
 ASSI {  159}
   (( segid "UBI " and resid 61   and name HB  ))
   (  segid "UBI " and resid 1    and name HE% )
      3.500     1.500     1.500 peak   159 spectrum    1 weight  0.10000E+01 volume  0.53610E-03 ppm1      1.663 ppm2      1.381 CV     1
 ASSI {  160}
   (( segid "UBI " and resid 61   and name HG12))
   (  segid "UBI " and resid 61   and name HG2%)
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.22231E-02 ppm1      0.456 ppm2     -0.409 CV     1
 ASSI {  165}
   (( segid "UBI " and resid 15   and name HB2 ))
   (( segid "UBI " and resid 15   and name HB1 ))
      1.800     0.400     0.400 peak   165 spectrum    1 weight  0.10000E+01 volume  0.17870E-01 ppm1      1.339 ppm2      1.180 CV     1
 ASSI {  168}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 43   and name HB1 ))
      2.700     0.900     0.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.24026E-02 ppm1      1.526 ppm2      0.747 CV     1
 OR {  168}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 43   and name HB1 ))
 ASSI {  170}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 43   and name HB2 ))
      2.600     0.800     0.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.34457E-02 ppm1      1.127 ppm2      0.754 CV     1
 OR {  170}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 43   and name HB2 ))
 ASSI {  175}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak   175 spectrum    1 weight  0.10000E+01 volume  0.28900E-02 ppm1      1.607 ppm2      0.774 CV     1
 OR {  175}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 67   and name HB2 ))
 ASSI {  177}
   (( segid "UBI " and resid 61   and name HG12))
   (  segid "UBI " and resid 61   and name HD1%)
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.36424E-02 ppm1      0.401 ppm2     -0.410 CV     1
 ASSI {  178}
   (  segid "UBI " and resid 50   and name HD1%)
   (  segid "UBI " and resid 61   and name HD1%)
      3.000     1.100     1.100 peak   178 spectrum    1 weight  0.10000E+01 volume  0.12997E-02 ppm1      0.402 ppm2     -0.187 CV     1
 ASSI {  179}
   (( segid "UBI " and resid 72   and name HG1 ))
   (( segid "UBI " and resid 72   and name HD2 ))
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.88921E-02 ppm1      3.141 ppm2      1.512 CV     1
 OR {  179}
   (( segid "UBI " and resid 72   and name HG2 ))
   (( segid "UBI " and resid 72   and name HD1 ))
 OR {  179}
   (( segid "UBI " and resid 72   and name HG2 ))
   (( segid "UBI " and resid 72   and name HD2 ))
 OR {  179}
   (( segid "UBI " and resid 72   and name HG1 ))
   (( segid "UBI " and resid 72   and name HD1 ))
 ASSI {  180}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HD1 ))
      2.700     0.900     0.900 peak   180 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      3.138 ppm2      1.762 CV     1
 OR {  180}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HD2 ))
 ASSI {  181}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 42   and name HD1 ))
      3.000     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      3.059 ppm2      1.570 CV     1
 ASSI {  196}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HD2 ))
      3.400     1.400     1.400 peak   196 spectrum    1 weight  0.10000E+01 volume  0.75242E-03 ppm1      3.181 ppm2      1.861 CV     1
 OR {  196}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HD1 ))
 ASSI {  197}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 55   and name HB  ))
      2.300     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.62844E-02 ppm1      4.482 ppm2      1.122 CV     1
 ASSI {  199}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HE2 ))
      2.700     0.900     0.900 peak   199 spectrum    1 weight  0.10000E+01 volume  0.24283E-02 ppm1      3.153 ppm2      1.410 CV     1
 ASSI {  202}
   (( segid "UBI " and resid 48   and name HD2 ))
   (( segid "UBI " and resid 48   and name HE1 ))
      2.500     0.800     0.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.38733E-02 ppm1      3.127 ppm2      1.850 CV     1
 OR {  202}
   (( segid "UBI " and resid 48   and name HD2 ))
   (( segid "UBI " and resid 48   and name HE2 ))
 OR {  202}
   (( segid "UBI " and resid 48   and name HD1 ))
   (( segid "UBI " and resid 48   and name HE1 ))
 OR {  202}
   (( segid "UBI " and resid 48   and name HD1 ))
   (( segid "UBI " and resid 48   and name HE2 ))
 ASSI {  205}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 27   and name HE1 ))
      2.800     1.000     1.000 peak   205 spectrum    1 weight  0.10000E+01 volume  0.23086E-02 ppm1      2.596 ppm2      1.552 CV     1
 OR {  205}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 27   and name HE1 ))
 OR {  205}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 27   and name HE2 ))
 OR {  205}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 27   and name HE2 ))
 ASSI {  206}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 27   and name HE2 ))
      2.300     0.700     0.700 peak   206 spectrum    1 weight  0.10000E+01 volume  0.53353E-02 ppm1      2.595 ppm2      1.698 CV     1
 OR {  206}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 27   and name HE2 ))
 OR {  206}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 27   and name HE1 ))
 ASSI {  208}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HE1 ))
      3.000     1.200     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      2.951 ppm2      1.405 CV     1
 ASSI {  209}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HE1 ))
      3.200     1.300     1.300 peak   209 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      2.948 ppm2      1.564 CV     1
 ASSI {  210}
   (( segid "UBI " and resid 29   and name HD1 ))
   (( segid "UBI " and resid 29   and name HE1 ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      2.947 ppm2      1.745 CV     1
 OR {  210}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 29   and name HE1 ))
 ASSI {  218}
   (  segid "UBI " and resid 73   and name HD2%)
   (( segid "UBI " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      1.547 ppm2      0.905 CV     1
 ASSI {  220}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HE1 ))
      2.900     1.000     1.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.21461E-02 ppm1      2.886 ppm2      1.380 CV     1
 OR {  220}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HE2 ))
 ASSI {  223}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HE2 ))
      2.900     1.000     1.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      3.097 ppm2      1.574 CV     1
 OR {  223}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HE2 ))
 ASSI {  228}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 11   and name HE1 ))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.24539E-03 ppm1      2.881 ppm2      0.689 CV     1
 OR {  228}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 11   and name HE2 ))
 ASSI {  229}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 63   and name HE1 ))
      3.900     1.900     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.39160E-03 ppm1      3.009 ppm2      1.862 CV     1
 OR {  229}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 63   and name HE2 ))
 ASSI {  230}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HE1 ))
      3.300     1.300     1.300 peak   230 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      3.005 ppm2      2.005 CV     1
 OR {  230}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HE2 ))
 ASSI {  231}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 22   and name HB  ))
      2.300     0.700     0.700 peak   231 spectrum    1 weight  0.10000E+01 volume  0.65238E-02 ppm1      4.740 ppm2      1.233 CV     1
 ASSI {  232}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HE2 ))
      2.600     0.800     0.800 peak   232 spectrum    1 weight  0.10000E+01 volume  0.37450E-02 ppm1      3.008 ppm2      1.468 CV     1
 OR {  232}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HE1 ))
 OR {  232}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HE2 ))
 OR {  232}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HE1 ))
 ASSI {  235}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 44   and name HB  ))
      2.200     0.600     0.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.86360E-02 ppm1      1.685 ppm2      0.663 CV     1
 OR {  235}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 44   and name HB  ))
 ASSI {  240}
   (  segid "UBI " and resid 8    and name HD1%)
   (( segid "UBI " and resid 8    and name HB1 ))
      2.900     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.17442E-02 ppm1      1.911 ppm2      1.037 CV     1
 ASSI {  241}
   (  segid "UBI " and resid 8    and name HD2%)
   (( segid "UBI " and resid 8    and name HB1 ))
      3.300     1.400     1.400 peak   241 spectrum    1 weight  0.10000E+01 volume  0.80028E-03 ppm1      1.915 ppm2      0.941 CV     1
 ASSI {  246}
   (( segid "UBI " and resid 44   and name HG11))
   (( segid "UBI " and resid 44   and name HB  ))
      2.700     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.21547E-02 ppm1      1.684 ppm2      1.315 CV     1
 ASSI {  247}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 50   and name HB1 ))
      2.700     0.900     0.900 peak   247 spectrum    1 weight  0.10000E+01 volume  0.26078E-02 ppm1      1.455 ppm2      0.498 CV     1
 ASSI {  250}
   (( segid "UBI " and resid 7    and name HA  ))
   (( segid "UBI " and resid 7    and name HB  ))
      2.900     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.17357E-02 ppm1      4.808 ppm2      5.008 CV     1
 ASSI {  255}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   255 spectrum    1 weight  0.10000E+01 volume  0.56688E-02 ppm1      4.808 ppm2      1.162 CV     1
 ASSI {  256}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 12   and name HB  ))
      2.300     0.700     0.700 peak   256 spectrum    1 weight  0.10000E+01 volume  0.63870E-02 ppm1      3.913 ppm2      1.050 CV     1
 ASSI {  257}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 59   and name HB1 ))
      2.700     0.900     0.900 peak   257 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      3.457 ppm2      0.609 CV     1
 ASSI {  258}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 59   and name HB1 ))
      3.200     1.300     1.300 peak   258 spectrum    1 weight  0.10000E+01 volume  0.13595E-02 ppm1      3.461 ppm2      0.400 CV     1
 ASSI {  261}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 13   and name HB  ))
      2.600     0.800     0.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.44632E-02 ppm1      1.834 ppm2      0.690 CV     1
 ASSI {  263}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 36   and name HB  ))
      2.800     1.000     1.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.20948E-02 ppm1      1.402 ppm2      0.674 CV     1
 ASSI {  264}
   (  segid "UBI " and resid 36   and name HD1%)
   (( segid "UBI " and resid 36   and name HB  ))
      2.700     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.28045E-02 ppm1      1.404 ppm2      0.757 CV     1
 ASSI {  265}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 36   and name HB  ))
      2.200     0.600     0.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.76526E-02 ppm1      1.402 ppm2      0.919 CV     1
 ASSI {  266}
   (( segid "UBI " and resid 36   and name HG12))
   (( segid "UBI " and resid 36   and name HB  ))
      2.900     1.100     1.100 peak   266 spectrum    1 weight  0.10000E+01 volume  0.22744E-02 ppm1      1.407 ppm2      1.073 CV     1
 ASSI {  271}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 59   and name HB2 ))
      2.700     0.900     0.900 peak   271 spectrum    1 weight  0.10000E+01 volume  0.34030E-02 ppm1      2.488 ppm2      0.608 CV     1
 ASSI {  275}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 14   and name HB  ))
      2.300     0.700     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.65751E-02 ppm1      4.008 ppm2      1.105 CV     1
 ASSI {  276}
   (  segid "UBI " and resid 9    and name HG2%)
   (( segid "UBI " and resid 9    and name HB  ))
      2.300     0.700     0.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.63186E-02 ppm1      4.565 ppm2      1.231 CV     1
 ASSI {  278}
   (( segid "UBI " and resid 23   and name HA  ))
   (  segid "UBI " and resid 23   and name HD1%)
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.42922E-02 ppm1      0.551 ppm2      3.598 CV     1
 ASSI {  282}
   (( segid "UBI " and resid 23   and name HG11))
   (  segid "UBI " and resid 23   and name HD1%)
      2.500     0.800     0.800 peak   282 spectrum    1 weight  0.10000E+01 volume  0.34030E-02 ppm1      0.552 ppm2      1.285 CV     1
 ASSI {  284}
   (( segid "UBI " and resid 23   and name HG12))
   (  segid "UBI " and resid 23   and name HD1%)
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.38989E-02 ppm1      0.551 ppm2      1.832 CV     1
 ASSI {  291}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.48822E-02 ppm1      3.334 ppm2      0.670 CV     1
 ASSI {  292}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 26   and name HA  ))
      2.500     0.800     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.44546E-02 ppm1      3.335 ppm2      0.952 CV     1
 ASSI {  297}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11030E-02 ppm1      3.335 ppm2      1.736 CV     1
 OR {  297}
   (( segid "UBI " and resid 29   and name HD1 ))
   (( segid "UBI " and resid 26   and name HA  ))
 ASSI {  298}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 26   and name HA  ))
      2.900     2.900     3.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      3.336 ppm2      2.100 CV     1
 ASSI {  299}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 26   and name HA  ))
      3.300     1.300     1.300 peak   299 spectrum    1 weight  0.10000E+01 volume  0.91490E-03 ppm1      3.339 ppm2      2.342 CV     1
 ASSI {  312}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 61   and name HB  ))
      2.400     0.700     0.700 peak   312 spectrum    1 weight  0.10000E+01 volume  0.57629E-02 ppm1      1.368 ppm2      0.404 CV     1
 ASSI {  314}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 61   and name HB  ))
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.21034E-02 ppm1      1.369 ppm2      1.097 CV     1
 ASSI {  316}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 30   and name HA  ))
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.80028E-02 ppm1      3.487 ppm2      0.674 CV     1
 OR {  316}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 30   and name HA  ))
 ASSI {  318}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 38   and name HA  ))
      3.400     1.400     1.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      4.100 ppm2      1.413 CV     1
 ASSI {  320}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 38   and name HA  ))
      2.900     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.23428E-02 ppm1      4.098 ppm2      1.989 CV     1
 ASSI {  321}
   (( segid "UBI " and resid 38   and name HB1 ))
   (( segid "UBI " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.31807E-02 ppm1      4.101 ppm2      2.246 CV     1
 ASSI {  322}
   (( segid "UBI " and resid 41   and name HG1 ))
   (( segid "UBI " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak   322 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      4.098 ppm2      2.493 CV     1
 ASSI {  324}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak   324 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      3.487 ppm2      1.829 CV     1
 ASSI {  326}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 30   and name HA  ))
      3.500     1.600     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.98329E-03 ppm1      3.486 ppm2      0.861 CV     1
 ASSI {  331}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 18   and name HG2 ))
      2.500     0.800     0.800 peak   331 spectrum    1 weight  0.10000E+01 volume  0.46513E-02 ppm1      2.207 ppm2      1.661 CV     1
 ASSI {  332}
   (  segid "UBI " and resid 70   and name HG1%)
   (( segid "UBI " and resid 70   and name HB  ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.43435E-02 ppm1      1.901 ppm2      0.807 CV     1
 ASSI {  335}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HB1 ))
      3.700     1.700     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.54465E-03 ppm1      1.637 ppm2      0.859 CV     1
 ASSI {  336}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 65   and name HB1 ))
      3.100     1.200     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.11372E-02 ppm1      3.881 ppm2      0.448 CV     1
 ASSI {  338}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 65   and name HB2 ))
      2.600     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.30183E-02 ppm1      3.620 ppm2      0.448 CV     1
 ASSI {  341}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 23   and name HB  ))
      2.800     1.000     1.000 peak   341 spectrum    1 weight  0.10000E+01 volume  0.16758E-02 ppm1      2.468 ppm2      1.282 CV     1
 ASSI {  342}
   (( segid "UBI " and resid 40   and name HA  ))
   (( segid "UBI " and resid 40   and name HG1 ))
      2.900     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.17955E-02 ppm1      2.390 ppm2      4.397 CV     1
 OR {  342}
   (( segid "UBI " and resid 40   and name HA  ))
   (( segid "UBI " and resid 40   and name HG2 ))
 ASSI {  343}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 23   and name HB  ))
      2.500     0.800     0.800 peak   343 spectrum    1 weight  0.10000E+01 volume  0.28900E-02 ppm1      2.468 ppm2      4.293 CV     1
 ASSI {  345}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 2    and name HG2 ))
      1.900     0.400     0.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.16587E-01 ppm1      1.855 ppm2      2.201 CV     1
 ASSI {  346}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 2    and name HG2 ))
      3.400     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.73446E-03 ppm1      1.849 ppm2      1.096 CV     1
 ASSI {  347}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 2    and name HG1 ))
      3.400     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.80461E-03 ppm1      2.213 ppm2      1.111 CV     1
 ASSI {  348}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 5    and name HB  ))
      2.000     0.500     0.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.14706E-01 ppm1      1.885 ppm2      0.685 CV     1
 OR {  348}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 5    and name HB  ))
 ASSI {  354}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HB1 ))
      2.300     0.700     0.700 peak   354 spectrum    1 weight  0.10000E+01 volume  0.56774E-02 ppm1      1.991 ppm2      1.581 CV     1
 OR {  354}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HB1 ))
 ASSI {  355}
   (( segid "UBI " and resid 33   and name HD1 ))
   (( segid "UBI " and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      1.986 ppm2      1.681 CV     1
 OR {  355}
   (( segid "UBI " and resid 33   and name HD2 ))
   (( segid "UBI " and resid 33   and name HB1 ))
 ASSI {  357}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 40   and name HG1 ))
      2.200     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.85076E-02 ppm1      2.390 ppm2      1.826 CV     1
 OR {  357}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 40   and name HG2 ))
 ASSI {  362}
   (( segid "UBI " and resid 35   and name HA2 ))
   (( segid "UBI " and resid 35   and name HA1 ))
      1.900     0.400     0.400 peak   362 spectrum    1 weight  0.10000E+01 volume  0.16416E-01 ppm1      3.890 ppm2      4.110 CV     1
 ASSI {  369}
   (( segid "UBI " and resid 45   and name HB2 ))
   (( segid "UBI " and resid 45   and name HB1 ))
      2.000     0.500     0.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.10944E-01 ppm1      2.744 ppm2      3.098 CV     1
 ASSI {  371}
   (  segid "UBI " and resid 13   and name HG2%)
   (  segid "UBI " and resid 13   and name HD1%)
      2.300     0.600     0.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.74301E-02 ppm1      0.694 ppm2      0.853 CV     1
 ASSI {  381}
   (( segid "UBI " and resid 29   and name HE1 ))
   (( segid "UBI " and resid 29   and name HE2 ))
      1.600     0.300     0.600 peak   381 spectrum    1 weight  0.10000E+01 volume  0.36937E-01 ppm1      3.156 ppm2      2.949 CV     1
 ASSI {  383}
   (( segid "UBI " and resid 8    and name HB1 ))
   (( segid "UBI " and resid 8    and name HB2 ))
      1.600     0.300     0.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.45316E-01 ppm1      1.752 ppm2      1.906 CV     1
 ASSI {  386}
   (( segid "UBI " and resid 52   and name HB1 ))
   (( segid "UBI " and resid 52   and name HB2 ))
      1.900     0.400     0.400 peak   386 spectrum    1 weight  0.10000E+01 volume  0.18982E-01 ppm1      2.778 ppm2      2.456 CV     1
 ASSI {  392}
   (( segid "UBI " and resid 32   and name HB1 ))
   (( segid "UBI " and resid 32   and name HB2 ))
      1.500     0.300     0.700 peak   392 spectrum    1 weight  0.10000E+01 volume  0.64127E-01 ppm1      2.721 ppm2      2.835 CV     1
 ASSI {  396}
   (( segid "UBI " and resid 39   and name HB1 ))
   (( segid "UBI " and resid 39   and name HB2 ))
      1.600     0.300     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.46342E-01 ppm1      2.643 ppm2      2.752 CV     1
 ASSI {  398}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 66   and name HB  ))
      2.200     0.600     0.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.78834E-02 ppm1      4.032 ppm2      0.861 CV     1
 ASSI {  400}
   (( segid "UBI " and resid 9    and name HA  ))
   (( segid "UBI " and resid 9    and name HB  ))
      2.600     0.800     0.800 peak   400 spectrum    1 weight  0.10000E+01 volume  0.36851E-02 ppm1      4.565 ppm2      4.416 CV     1
 ASSI {  401}
   (( segid "UBI " and resid 25   and name HB1 ))
   (( segid "UBI " and resid 25   and name HB2 ))
      1.900     0.400     0.400 peak   401 spectrum    1 weight  0.10000E+01 volume  0.16587E-01 ppm1      2.865 ppm2      3.183 CV     1
 ASSI {  403}
   (( segid "UBI " and resid 64   and name HB1 ))
   (( segid "UBI " and resid 64   and name HG2 ))
      2.300     0.700     0.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.67547E-02 ppm1      2.229 ppm2      2.513 CV     1
 OR {  403}
   (( segid "UBI " and resid 64   and name HB1 ))
   (( segid "UBI " and resid 64   and name HG1 ))
 ASSI {  404}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 64   and name HG1 ))
      2.100     0.500     0.500 peak   404 spectrum    1 weight  0.10000E+01 volume  0.14108E-01 ppm1      2.230 ppm2      2.393 CV     1
 OR {  404}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 64   and name HG2 ))
 ASSI {  410}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 51   and name HG2 ))
      2.900     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      2.411 ppm2      1.960 CV     1
 ASSI {  412}
   (( segid "UBI " and resid 60   and name HB2 ))
   (( segid "UBI " and resid 60   and name HB1 ))
      1.900     0.400     0.400 peak   412 spectrum    1 weight  0.10000E+01 volume  0.16587E-01 ppm1      3.302 ppm2      2.768 CV     1
 ASSI {  416}
   (( segid "UBI " and resid 18   and name HG2 ))
   (( segid "UBI " and resid 18   and name HG1 ))
      1.500     0.300     0.700 peak   416 spectrum    1 weight  0.10000E+01 volume  0.57030E-01 ppm1      2.328 ppm2      2.204 CV     1
 ASSI {  417}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 16   and name HG2 ))
      1.500     0.300     0.700 peak   417 spectrum    1 weight  0.10000E+01 volume  0.66435E-01 ppm1      2.215 ppm2      2.045 CV     1
 ASSI {  421}
   (( segid "UBI " and resid 16   and name HB2 ))
   (( segid "UBI " and resid 16   and name HG1 ))
      2.300     0.600     0.600 peak   421 spectrum    1 weight  0.10000E+01 volume  0.67718E-02 ppm1      2.054 ppm2      1.802 CV     1
 ASSI {  427}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 6    and name HB1 ))
      1.900     0.400     0.400 peak   427 spectrum    1 weight  0.10000E+01 volume  0.15305E-01 ppm1      1.633 ppm2      1.294 CV     1
 ASSI {  429}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 6    and name HB2 ))
      2.200     0.600     0.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.63614E-02 ppm1      1.301 ppm2      1.454 CV     1
 ASSI {  430}
   (( segid "UBI " and resid 65   and name HB2 ))
   (( segid "UBI " and resid 65   and name HB1 ))
      1.900     0.500     0.500 peak   430 spectrum    1 weight  0.10000E+01 volume  0.14023E-01 ppm1      3.884 ppm2      3.614 CV     1
 ASSI {  432}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HB1 ))
      2.200     0.600     0.600 peak   432 spectrum    1 weight  0.10000E+01 volume  0.80200E-02 ppm1      1.859 ppm2      1.492 CV     1
 OR {  432}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HB2 ))
 OR {  432}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HB2 ))
 OR {  432}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HB1 ))
 ASSI {  436}
   (( segid "UBI " and resid 20   and name HB2 ))
   (( segid "UBI " and resid 20   and name HB1 ))
      1.900     0.500     0.500 peak   436 spectrum    1 weight  0.10000E+01 volume  0.13852E-01 ppm1      3.746 ppm2      4.131 CV     1
 ASSI {  440}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 41   and name HG1 ))
      1.900     0.400     0.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.14193E-01 ppm1      2.495 ppm2      1.621 CV     1
 ASSI {  441}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 34   and name HB1 ))
      1.800     0.400     0.400 peak   441 spectrum    1 weight  0.10000E+01 volume  0.22744E-01 ppm1      2.258 ppm2      1.653 CV     1
 ASSI {  445}
   (( segid "UBI " and resid 34   and name HG2 ))
   (( segid "UBI " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   445 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      1.652 ppm2      2.059 CV     1
 ASSI {  446}
   (( segid "UBI " and resid 34   and name HG1 ))
   (( segid "UBI " and resid 34   and name HB2 ))
      2.300     0.600     0.600 peak   446 spectrum    1 weight  0.10000E+01 volume  0.61306E-02 ppm1      1.652 ppm2      2.145 CV     1
 ASSI {  447}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HB1 ))
      1.700     0.300     0.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.30012E-01 ppm1      1.915 ppm2      2.101 CV     1
 ASSI {  449}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   449 spectrum    1 weight  0.10000E+01 volume  0.19067E-02 ppm1      1.793 ppm2      1.212 CV     1
 ASSI {  453}
   (( segid "UBI " and resid 68   and name HB1 ))
   (( segid "UBI " and resid 68   and name HB2 ))
      1.800     0.400     0.400 peak   453 spectrum    1 weight  0.10000E+01 volume  0.20179E-01 ppm1      2.844 ppm2      3.000 CV     1
 ASSI {  457}
   (( segid "UBI " and resid 57   and name HB2 ))
   (( segid "UBI " and resid 57   and name HB1 ))
      1.600     0.300     0.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.41555E-01 ppm1      3.755 ppm2      3.848 CV     1
 ASSI {  460}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 18   and name HB1 ))
      1.700     0.400     0.500 peak   460 spectrum    1 weight  0.10000E+01 volume  0.26420E-01 ppm1      2.170 ppm2      1.658 CV     1
 ASSI {  461}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HB1 ))
      2.500     0.800     0.800 peak   461 spectrum    1 weight  0.10000E+01 volume  0.42837E-02 ppm1      2.029 ppm2      1.477 CV     1
 OR {  461}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HB1 ))
 ASSI {  462}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HB2 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.28216E-02 ppm1      1.868 ppm2      1.473 CV     1
 OR {  462}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HB2 ))
 ASSI {  466}
   (( segid "UBI " and resid 63   and name HD1 ))
   (( segid "UBI " and resid 63   and name HB1 ))
      2.400     0.700     0.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.64554E-02 ppm1      2.024 ppm2      1.716 CV     1
 OR {  466}
   (( segid "UBI " and resid 63   and name HD2 ))
   (( segid "UBI " and resid 63   and name HB1 ))
 ASSI {  469}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   469 spectrum    1 weight  0.10000E+01 volume  0.36167E-02 ppm1      3.602 ppm2      0.747 CV     1
 ASSI {  470}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   470 spectrum    1 weight  0.10000E+01 volume  0.17955E-02 ppm1      3.603 ppm2      0.951 CV     1
 ASSI {  471}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 23   and name HA  ))
      2.500     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.34628E-02 ppm1      3.602 ppm2      2.333 CV     1
 ASSI {  475}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 34   and name HB2 ))
      2.500     0.800     0.800 peak   475 spectrum    1 weight  0.10000E+01 volume  0.30781E-02 ppm1      1.650 ppm2      0.682 CV     1
 ASSI {  476}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 31   and name HG1 ))
      1.800     0.400     0.400 peak   476 spectrum    1 weight  0.10000E+01 volume  0.24881E-01 ppm1      2.265 ppm2      1.881 CV     1
 ASSI {  478}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HB1 ))
      1.500     0.300     0.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.50532E-01 ppm1      1.793 ppm2      1.685 CV     1
 ASSI {  488}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 29   and name HB2 ))
      2.100     0.500     0.500 peak   488 spectrum    1 weight  0.10000E+01 volume  0.10773E-01 ppm1      2.100 ppm2      1.726 CV     1
 OR {  488}
   (( segid "UBI " and resid 29   and name HD1 ))
   (( segid "UBI " and resid 29   and name HB2 ))
 ASSI {  489}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 38   and name HB1 ))
      1.600     0.300     0.600 peak   489 spectrum    1 weight  0.10000E+01 volume  0.40015E-01 ppm1      2.253 ppm2      2.007 CV     1
 ASSI {  491}
   (( segid "UBI " and resid 1    and name HA  ))
   (( segid "UBI " and resid 1    and name HB2 ))
      2.700     0.900     0.900 peak   491 spectrum    1 weight  0.10000E+01 volume  0.24454E-02 ppm1      2.013 ppm2      4.198 CV     1
 ASSI {  495}
   (( segid "UBI " and resid 1    and name HB2 ))
   (( segid "UBI " and resid 1    and name HB1 ))
      1.600     0.300     0.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.52413E-01 ppm1      2.152 ppm2      2.013 CV     1
 ASSI {  496}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HB2 ))
      1.600     0.300     0.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.46684E-01 ppm1      1.864 ppm2      2.025 CV     1
 ASSI {  503}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 66   and name HA  ))
      2.600     0.900     0.900 peak   503 spectrum    1 weight  0.10000E+01 volume  0.29156E-02 ppm1      5.250 ppm2      0.859 CV     1
 ASSI {  504}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   504 spectrum    1 weight  0.10000E+01 volume  0.36680E-02 ppm1      5.026 ppm2      1.052 CV     1
 ASSI {  505}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   505 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      4.932 ppm2      1.109 CV     1
 ASSI {  507}
   (( segid "UBI " and resid 4    and name HB1 ))
   (( segid "UBI " and resid 66   and name HA  ))
      2.800     1.000     1.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      5.246 ppm2      3.016 CV     1
 ASSI {  508}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 61   and name HA  ))
      2.900     1.000     1.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.20948E-02 ppm1      3.367 ppm2      1.105 CV     1
 ASSI {  509}
   (( segid "UBI " and resid 61   and name HB  ))
   (( segid "UBI " and resid 61   and name HA  ))
      3.300     1.300     1.300 peak   509 spectrum    1 weight  0.10000E+01 volume  0.82940E-03 ppm1      3.366 ppm2      1.367 CV     1
 ASSI {  510}
   (( segid "UBI " and resid 61   and name HG12))
   (( segid "UBI " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.28472E-02 ppm1      3.372 ppm2     -0.416 CV     1
 ASSI {  511}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 54   and name HB1 ))
      2.700     0.900     0.900 peak   511 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      2.207 ppm2      0.257 CV     1
 ASSI {  512}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 54   and name HB2 ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.11885E-02 ppm1      2.070 ppm2      0.260 CV     1
 ASSI {  514}
   (( segid "UBI " and resid 12   and name HB  ))
   (( segid "UBI " and resid 12   and name HA  ))
      3.300     1.400     1.400 peak   514 spectrum    1 weight  0.10000E+01 volume  0.78408E-03 ppm1      5.028 ppm2      3.914 CV     1
 ASSI {  515}
   (( segid "UBI " and resid 14   and name HB  ))
   (( segid "UBI " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak   515 spectrum    1 weight  0.10000E+01 volume  0.88070E-03 ppm1      4.931 ppm2      4.009 CV     1
 ASSI {  516}
   (( segid "UBI " and resid 38   and name HD1 ))
   (( segid "UBI " and resid 37   and name HA  ))
      2.300     0.600     0.600 peak   516 spectrum    1 weight  0.10000E+01 volume  0.68146E-02 ppm1      4.611 ppm2      3.725 CV     1
 OR {  516}
   (( segid "UBI " and resid 38   and name HD2 ))
   (( segid "UBI " and resid 37   and name HA  ))
 ASSI {  518}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 28   and name HB1 ))
      1.800     1.800     4.200 peak   518 spectrum    1 weight  0.10000E+01 volume  0.30952E-01 ppm1      4.091 ppm2      4.195 CV     1
 OR {  518}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 28   and name HB2 ))
 ASSI {  522}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.37022E-02 ppm1      5.019 ppm2      5.349 CV     1
 ASSI {  523}
   (( segid "UBI " and resid 56   and name HB2 ))
   (( segid "UBI " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   523 spectrum    1 weight  0.10000E+01 volume  0.24026E-02 ppm1      3.930 ppm2      2.049 CV     1
 ASSI {  526}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 37   and name HB2 ))
      1.800     0.400     0.400 peak   526 spectrum    1 weight  0.10000E+01 volume  0.20948E-01 ppm1      1.941 ppm2      2.393 CV     1
 ASSI {  527}
   (( segid "UBI " and resid 62   and name HB1 ))
   (( segid "UBI " and resid 62   and name HB2 ))
      1.800     0.400     0.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.25394E-01 ppm1      1.865 ppm2      2.224 CV     1
 ASSI {  531}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 51   and name HB1 ))
      1.600     0.300     0.600 peak   531 spectrum    1 weight  0.10000E+01 volume  0.41726E-01 ppm1      2.205 ppm2      1.959 CV     1
 ASSI {  532}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 42   and name HB2 ))
      1.800     0.400     0.400 peak   532 spectrum    1 weight  0.10000E+01 volume  0.20606E-01 ppm1      1.579 ppm2      1.731 CV     1
 ASSI {  535}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HB2 ))
      1.400     0.300     0.800 peak   535 spectrum    1 weight  0.10000E+01 volume  0.83112E-01 ppm1      1.767 ppm2      1.867 CV     1
 ASSI {  538}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 18   and name HB2 ))
      2.500     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.39502E-02 ppm1      1.664 ppm2      2.322 CV     1
 ASSI {  540}
   (  segid "UBI " and resid 9    and name HG2%)
   (( segid "UBI " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak   540 spectrum    1 weight  0.10000E+01 volume  0.39331E-02 ppm1      4.406 ppm2      1.231 CV     1
 ASSI {  542}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      4.615 ppm2      2.388 CV     1
 ASSI {  543}
   (( segid "UBI " and resid 37   and name HG1 ))
   (( segid "UBI " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   543 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      4.615 ppm2      2.003 CV     1
 ASSI {  544}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 30   and name HG11))
      1.800     0.400     0.400 peak   544 spectrum    1 weight  0.10000E+01 volume  0.20008E-01 ppm1      2.000 ppm2      0.668 CV     1
 ASSI {  547}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 30   and name HG12))
      2.200     0.600     0.600 peak   547 spectrum    1 weight  0.10000E+01 volume  0.70967E-02 ppm1      0.659 ppm2      0.867 CV     1
 ASSI {  549}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.14193E-02 ppm1      1.512 ppm2      3.136 CV     1
 OR {  549}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 72   and name HB1 ))
 ASSI {  551}
   (( segid "UBI " and resid 72   and name HA  ))
   (( segid "UBI " and resid 72   and name HB1 ))
      3.300     1.300     1.300 peak   551 spectrum    1 weight  0.10000E+01 volume  0.90631E-03 ppm1      1.507 ppm2      4.267 CV     1
 ASSI {  564}
   (( segid "UBI " and resid 70   and name HB  ))
   (( segid "UBI " and resid 70   and name HA  ))
      3.100     1.200     1.200 peak   564 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      4.262 ppm2      1.893 CV     1
 ASSI {  565}
   (  segid "UBI " and resid 70   and name HG2%)
   (( segid "UBI " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.35141E-02 ppm1      4.264 ppm2      0.906 CV     1
 ASSI {  566}
   (  segid "UBI " and resid 70   and name HG1%)
   (( segid "UBI " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   566 spectrum    1 weight  0.10000E+01 volume  0.36338E-02 ppm1      4.265 ppm2      0.806 CV     1
 ASSI {  567}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 5    and name HA  ))
      2.200     0.600     0.600 peak   567 spectrum    1 weight  0.10000E+01 volume  0.74817E-02 ppm1      4.766 ppm2      0.678 CV     1
 OR {  567}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 5    and name HA  ))
 ASSI {  570}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 1    and name HG1 ))
      2.600     2.600     3.400 peak   570 spectrum    1 weight  0.10000E+01 volume  0.21803E-02 ppm1      1.994 ppm2      0.411 CV     1
 ASSI {  574}
   (( segid "UBI " and resid 1    and name HG1 ))
   (( segid "UBI " and resid 1    and name HG2 ))
      1.900     0.500     0.500 peak   574 spectrum    1 weight  0.10000E+01 volume  0.14535E-01 ppm1      2.491 ppm2      1.993 CV     1
 ASSI {  576}
   (( segid "UBI " and resid 1    and name HB1 ))
   (( segid "UBI " and resid 1    and name HG1 ))
      2.300     0.700     0.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.93200E-02 ppm1      1.993 ppm2      2.150 CV     1
 ASSI {  578}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 2    and name HB1 ))
      3.500     1.500     1.500 peak   578 spectrum    1 weight  0.10000E+01 volume  0.75929E-03 ppm1      1.610 ppm2      2.199 CV     1
 ASSI {  579}
   (( segid "UBI " and resid 40   and name HB1 ))
   (( segid "UBI " and resid 40   and name HB2 ))
      1.800     0.400     0.400 peak   579 spectrum    1 weight  0.10000E+01 volume  0.23257E-01 ppm1      1.825 ppm2      2.437 CV     1
 OR {  579}
   (( segid "UBI " and resid 40   and name HG1 ))
   (( segid "UBI " and resid 40   and name HB2 ))
 ASSI {  583}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HB1 ))
      1.900     0.400     0.400 peak   583 spectrum    1 weight  0.10000E+01 volume  0.16758E-01 ppm1      1.507 ppm2      1.768 CV     1
 ASSI {  588}
   (( segid "UBI " and resid 30   and name HA  ))
   (( segid "UBI " and resid 30   and name HG11))
      3.100     1.200     1.200 peak   588 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      2.007 ppm2      3.478 CV     1
 ASSI {  591}
   (( segid "UBI " and resid 67   and name HB2 ))
   (( segid "UBI " and resid 5    and name HA  ))
      3.000     1.100     1.100 peak   591 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      4.769 ppm2      1.612 CV     1
 OR {  591}
   (( segid "UBI " and resid 67   and name HB1 ))
   (( segid "UBI " and resid 5    and name HA  ))
 ASSI {  592}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 74   and name HB2 ))
      1.700     1.700     4.300 peak   592 spectrum    1 weight  0.10000E+01 volume  0.45402E-01 ppm1      1.768 ppm2      1.608 CV     1
 OR {  592}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HB2 ))
 ASSI {  593}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   593 spectrum    1 weight  0.10000E+01 volume  0.30012E-02 ppm1      5.010 ppm2      1.160 CV     1
 ASSI {  594}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 13   and name HA  ))
      2.600     0.800     0.800 peak   594 spectrum    1 weight  0.10000E+01 volume  0.36937E-02 ppm1      4.462 ppm2      0.852 CV     1
 ASSI {  596}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.43863E-02 ppm1      4.137 ppm2      0.593 CV     1
 ASSI {  597}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   597 spectrum    1 weight  0.10000E+01 volume  0.31722E-02 ppm1      5.185 ppm2      1.124 CV     1
 ASSI {  598}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   598 spectrum    1 weight  0.10000E+01 volume  0.95761E-03 ppm1      4.461 ppm2      1.420 CV     1
 ASSI {  599}
   (( segid "UBI " and resid 13   and name HB  ))
   (( segid "UBI " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.15048E-02 ppm1      4.466 ppm2      1.833 CV     1
 ASSI {  600}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HA  ))
      2.600     0.800     0.800 peak   600 spectrum    1 weight  0.10000E+01 volume  0.30525E-02 ppm1      4.188 ppm2      1.561 CV     1
 ASSI {  601}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 29   and name HA  ))
      2.700     0.900     0.900 peak   601 spectrum    1 weight  0.10000E+01 volume  0.36766E-02 ppm1      4.185 ppm2      1.734 CV     1
 ASSI {  603}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 13   and name HA  ))
      2.900     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.20692E-02 ppm1      4.465 ppm2      1.054 CV     1
 ASSI {  604}
   (( segid "UBI " and resid 31   and name HG1 ))
   (( segid "UBI " and resid 31   and name HA  ))
      3.100     1.200     1.200 peak   604 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      3.804 ppm2      2.260 CV     1
 ASSI {  605}
   (( segid "UBI " and resid 29   and name HB1 ))
   (( segid "UBI " and resid 29   and name HA  ))
      2.500     0.800     0.800 peak   605 spectrum    1 weight  0.10000E+01 volume  0.34628E-02 ppm1      4.191 ppm2      1.912 CV     1
 ASSI {  606}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 31   and name HA  ))
      2.800     1.000     1.000 peak   606 spectrum    1 weight  0.10000E+01 volume  0.29242E-02 ppm1      3.807 ppm2      1.968 CV     1
 ASSI {  607}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 22   and name HA  ))
      2.500     0.800     0.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.38220E-02 ppm1      4.959 ppm2      1.232 CV     1
 ASSI {  608}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 7    and name HA  ))
      2.900     1.000     1.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      5.011 ppm2      1.529 CV     1
 ASSI {  609}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 55   and name HA  ))
      3.300     1.300     1.300 peak   609 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1      5.185 ppm2      1.233 CV     1
 ASSI {  610}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HA  ))
      3.300     1.300     1.300 peak   610 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      4.195 ppm2      2.095 CV     1
 ASSI {  613}
   (  segid "UBI " and resid 26   and name HG2%)
   (( segid "UBI " and resid 26   and name HB  ))
      2.400     0.700     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.49763E-02 ppm1      2.333 ppm2      0.956 CV     1
 ASSI {  616}
   (( segid "UBI " and resid 2    and name HB2 ))
   (( segid "UBI " and resid 2    and name HB1 ))
      1.700     0.400     0.500 peak   616 spectrum    1 weight  0.10000E+01 volume  0.29584E-01 ppm1      1.602 ppm2      1.833 CV     1
 ASSI {  618}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HD1 ))
      1.700     0.400     0.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.24197E-01 ppm1      1.752 ppm2      1.408 CV     1
 ASSI {  623}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 67   and name HG  ))
      2.400     0.700     0.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.48651E-02 ppm1      1.738 ppm2      0.615 CV     1
 ASSI {  624}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HD2 ))
      3.000     1.100     1.100 peak   624 spectrum    1 weight  0.10000E+01 volume  0.14108E-02 ppm1      1.548 ppm2      0.862 CV     1
 OR {  624}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HD1 ))
 ASSI {  626}
   (( segid "UBI " and resid 63   and name HE2 ))
   (( segid "UBI " and resid 63   and name HD2 ))
      2.600     0.800     0.800 peak   626 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      1.718 ppm2      3.000 CV     1
 OR {  626}
   (( segid "UBI " and resid 63   and name HE1 ))
   (( segid "UBI " and resid 63   and name HD1 ))
 OR {  626}
   (( segid "UBI " and resid 63   and name HE1 ))
   (( segid "UBI " and resid 63   and name HD2 ))
 OR {  626}
   (( segid "UBI " and resid 63   and name HE2 ))
   (( segid "UBI " and resid 63   and name HD1 ))
 ASSI {  627}
   (( segid "UBI " and resid 26   and name HA  ))
   (( segid "UBI " and resid 29   and name HD2 ))
      3.200     1.300     1.300 peak   627 spectrum    1 weight  0.10000E+01 volume  0.86360E-03 ppm1      1.404 ppm2      3.334 CV     1
 ASSI {  631}
   (( segid "UBI " and resid 32   and name HB1 ))
   (( segid "UBI " and resid 29   and name HA  ))
      2.900     1.100     1.100 peak   631 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      4.190 ppm2      2.837 CV     1
 ASSI {  633}
   (( segid "UBI " and resid 29   and name HE2 ))
   (( segid "UBI " and resid 29   and name HD1 ))
      3.000     1.100     1.100 peak   633 spectrum    1 weight  0.10000E+01 volume  0.13937E-02 ppm1      1.750 ppm2      3.141 CV     1
 ASSI {  634}
   (( segid "UBI " and resid 55   and name HA  ))
   (( segid "UBI " and resid 22   and name HA  ))
      2.400     0.700     0.700 peak   634 spectrum    1 weight  0.10000E+01 volume  0.44889E-02 ppm1      4.957 ppm2      5.184 CV     1
 ASSI {  636}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 27   and name HA  ))
      2.800     1.000     1.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.19495E-02 ppm1      4.611 ppm2      0.867 CV     1
 ASSI {  637}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HA  ))
      2.600     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.43777E-02 ppm1      4.612 ppm2      1.390 CV     1
 ASSI {  638}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 27   and name HA  ))
      2.700     0.900     0.900 peak   638 spectrum    1 weight  0.10000E+01 volume  0.24283E-02 ppm1      4.611 ppm2      2.325 CV     1
 ASSI {  640}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 22   and name HA  ))
      2.900     1.100     1.100 peak   640 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1      4.958 ppm2      1.123 CV     1
 ASSI {  642}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 40   and name HB1 ))
      1.800     0.400     0.400 peak   642 spectrum    1 weight  0.10000E+01 volume  0.18554E-01 ppm1      2.445 ppm2      1.822 CV     1
 ASSI {  655}
   (( segid "UBI " and resid 49   and name HG2 ))
   (( segid "UBI " and resid 49   and name HB2 ))
      2.200     0.600     0.600 peak   655 spectrum    1 weight  0.10000E+01 volume  0.79259E-02 ppm1      2.007 ppm2      2.232 CV     1
 ASSI {  659}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HD1 ))
      1.900     0.400     0.400 peak   659 spectrum    1 weight  0.10000E+01 volume  0.22744E-01 ppm1      1.596 ppm2      1.382 CV     1
 OR {  659}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HD2 ))
 ASSI {  661}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HD1 ))
      2.400     0.700     0.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.52157E-02 ppm1      1.849 ppm2      1.499 CV     1
 OR {  661}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HD2 ))
 OR {  661}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HD2 ))
 OR {  661}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HD1 ))
 ASSI {  662}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 56   and name HA  ))
      2.900     1.000     1.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.20435E-02 ppm1      4.028 ppm2      0.396 CV     1
 ASSI {  664}
   (( segid "UBI " and resid 56   and name HB1 ))
   (( segid "UBI " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.31038E-02 ppm1      4.034 ppm2      1.246 CV     1
 ASSI {  665}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.22830E-02 ppm1      4.286 ppm2      1.577 CV     1
 OR {  665}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HA  ))
 ASSI {  666}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 44   and name HA  ))
      2.500     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.42666E-02 ppm1      5.000 ppm2      0.659 CV     1
 ASSI {  668}
   (( segid "UBI " and resid 44   and name HG11))
   (( segid "UBI " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   668 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      5.004 ppm2      1.314 CV     1
 ASSI {  669}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.22915E-03 ppm1      5.002 ppm2      1.677 CV     1
 ASSI {  670}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 17   and name HA  ))
      2.300     0.600     0.600 peak   670 spectrum    1 weight  0.10000E+01 volume  0.75070E-02 ppm1      4.676 ppm2      0.679 CV     1
 ASSI {  671}
   (( segid "UBI " and resid 17   and name HB  ))
   (( segid "UBI " and resid 17   and name HA  ))
      2.400     0.700     0.700 peak   671 spectrum    1 weight  0.10000E+01 volume  0.54892E-02 ppm1      4.676 ppm2      2.327 CV     1
 ASSI {  673}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 6    and name HD1 ))
      2.300     0.700     0.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.66863E-02 ppm1      1.553 ppm2      1.256 CV     1
 OR {  673}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 6    and name HD2 ))
 OR {  673}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 6    and name HD2 ))
 ASSI {  674}
   (( segid "UBI " and resid 33   and name HA  ))
   (( segid "UBI " and resid 33   and name HD2 ))
      3.400     1.400     1.400 peak   674 spectrum    1 weight  0.10000E+01 volume  0.94051E-03 ppm1      1.689 ppm2      4.285 CV     1
 OR {  674}
   (( segid "UBI " and resid 33   and name HA  ))
   (( segid "UBI " and resid 33   and name HD1 ))
 ASSI {  676}
   (( segid "UBI " and resid 56   and name HB2 ))
   (( segid "UBI " and resid 56   and name HA  ))
      3.200     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      4.030 ppm2      2.049 CV     1
 ASSI {  677}
   (( segid "UBI " and resid 33   and name HB1 ))
   (( segid "UBI " and resid 33   and name HA  ))
      2.600     0.800     0.800 peak   677 spectrum    1 weight  0.10000E+01 volume  0.35911E-02 ppm1      4.285 ppm2      1.990 CV     1
 ASSI {  678}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak   678 spectrum    1 weight  0.10000E+01 volume  0.25650E-02 ppm1      4.286 ppm2      1.827 CV     1
 ASSI {  680}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 17   and name HA  ))
      3.200     1.300     1.300 peak   680 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      4.673 ppm2      0.402 CV     1
 ASSI {  681}
   (( segid "UBI " and resid 64   and name HG2 ))
   (( segid "UBI " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   681 spectrum    1 weight  0.10000E+01 volume  0.42238E-02 ppm1      3.335 ppm2      2.228 CV     1
 OR {  681}
   (( segid "UBI " and resid 64   and name HG1 ))
   (( segid "UBI " and resid 64   and name HA  ))
 ASSI {  682}
   (( segid "UBI " and resid 64   and name HB1 ))
   (( segid "UBI " and resid 64   and name HA  ))
      2.600     0.900     0.900 peak   682 spectrum    1 weight  0.10000E+01 volume  0.27788E-02 ppm1      3.335 ppm2      2.519 CV     1
 ASSI {  684}
   (( segid "UBI " and resid 44   and name HG12))
   (( segid "UBI " and resid 44   and name HG11))
      1.900     0.400     0.400 peak   684 spectrum    1 weight  0.10000E+01 volume  0.14792E-01 ppm1      1.299 ppm2      1.052 CV     1
 ASSI {  685}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 44   and name HG11))
      2.500     0.800     0.800 peak   685 spectrum    1 weight  0.10000E+01 volume  0.42751E-02 ppm1      1.311 ppm2      0.674 CV     1
 ASSI {  689}
   (( segid "UBI " and resid 61   and name HG12))
   (( segid "UBI " and resid 61   and name HG11))
      1.800     0.400     0.400 peak   689 spectrum    1 weight  0.10000E+01 volume  0.15476E-01 ppm1      1.109 ppm2     -0.413 CV     1
 ASSI {  691}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 23   and name HG12))
      1.800     0.400     0.400 peak   691 spectrum    1 weight  0.10000E+01 volume  0.16502E-01 ppm1      1.837 ppm2      1.288 CV     1
 ASSI {  699}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 44   and name HG12))
      2.500     0.800     0.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.35141E-02 ppm1      1.055 ppm2      0.679 CV     1
 OR {  699}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 44   and name HG12))
 ASSI {  700}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 37   and name HG2 ))
      2.800     1.000     1.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.27703E-02 ppm1      2.088 ppm2      2.387 CV     1
 ASSI {  701}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 37   and name HG1 ))
      2.500     0.800     0.800 peak   701 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      2.017 ppm2      2.387 CV     1
 ASSI {  703}
   (( segid "UBI " and resid 59   and name HB1 ))
   (( segid "UBI " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.20521E-02 ppm1      4.665 ppm2      3.457 CV     1
 ASSI {  705}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 36   and name HA  ))
      2.600     0.800     0.800 peak   705 spectrum    1 weight  0.10000E+01 volume  0.33688E-02 ppm1      4.391 ppm2      0.917 CV     1
 ASSI {  706}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.36338E-02 ppm1      3.949 ppm2      1.864 CV     1
 ASSI {  707}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HA  ))
      2.300     0.700     0.700 peak   707 spectrum    1 weight  0.10000E+01 volume  0.69599E-02 ppm1      3.948 ppm2      2.013 CV     1
 ASSI {  709}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 23   and name HG12))
      3.300     1.300     1.300 peak   709 spectrum    1 weight  0.10000E+01 volume  0.17870E-02 ppm1      1.834 ppm2      0.752 CV     1
 ASSI {  710}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 38   and name HG2 ))
      1.900     0.500     0.500 peak   710 spectrum    1 weight  0.10000E+01 volume  0.12484E-01 ppm1      2.162 ppm2      1.585 CV     1
 ASSI {  711}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 23   and name HG12))
      2.600     0.800     0.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      1.827 ppm2      2.464 CV     1
 ASSI {  714}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 71   and name HG  ))
      2.500     0.800     0.800 peak   714 spectrum    1 weight  0.10000E+01 volume  0.40956E-02 ppm1      1.647 ppm2      0.834 CV     1
 ASSI {  715}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 54   and name HG1 ))
      1.800     0.400     0.400 peak   715 spectrum    1 weight  0.10000E+01 volume  0.22316E-01 ppm1      1.810 ppm2      1.597 CV     1
 ASSI {  716}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HG2 ))
      1.700     1.700     4.300 peak   716 spectrum    1 weight  0.10000E+01 volume  0.41640E-01 ppm1      1.605 ppm2      1.855 CV     1
 OR {  716}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HG1 ))
 ASSI {  721}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 64   and name HA  ))
      3.100     1.200     1.200 peak   721 spectrum    1 weight  0.10000E+01 volume  0.15219E-02 ppm1      3.332 ppm2      2.400 CV     1
 ASSI {  722}
   (( segid "UBI " and resid 3    and name HA  ))
   (( segid "UBI " and resid 64   and name HA  ))
      2.900     1.100     1.100 peak   722 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      3.340 ppm2      4.135 CV     1
 ASSI {  725}
   (  segid "UBI " and resid 36   and name HD1%)
   (( segid "UBI " and resid 36   and name HA  ))
      4.400     2.400     1.600 peak   725 spectrum    1 weight  0.10000E+01 volume  0.31294E-03 ppm1      4.386 ppm2      0.759 CV     1
 ASSI {  726}
   (( segid "UBI " and resid 36   and name HB  ))
   (( segid "UBI " and resid 36   and name HA  ))
      2.800     1.000     1.000 peak   726 spectrum    1 weight  0.10000E+01 volume  0.22231E-02 ppm1      4.389 ppm2      1.374 CV     1
 OR {  726}
   (( segid "UBI " and resid 36   and name HG11))
   (( segid "UBI " and resid 36   and name HA  ))
 ASSI {  731}
   (( segid "UBI " and resid 36   and name HG12))
   (( segid "UBI " and resid 36   and name HA  ))
      2.900     1.000     1.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      4.394 ppm2      1.059 CV     1
 ASSI {  732}
   (( segid "UBI " and resid 37   and name HD2 ))
   (( segid "UBI " and resid 36   and name HA  ))
      2.600     0.900     0.900 peak   732 spectrum    1 weight  0.10000E+01 volume  0.30781E-02 ppm1      4.389 ppm2      3.545 CV     1
 ASSI {  733}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   733 spectrum    1 weight  0.10000E+01 volume  0.11030E-02 ppm1      3.953 ppm2      0.593 CV     1
 ASSI {  734}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HA  ))
      3.100     1.200     1.200 peak   734 spectrum    1 weight  0.10000E+01 volume  0.12484E-02 ppm1      3.947 ppm2      1.466 CV     1
 OR {  734}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HA  ))
 ASSI {  735}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 63   and name HA  ))
      3.500     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.56004E-03 ppm1      3.945 ppm2      1.665 CV     1
 ASSI {  738}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 31   and name HB2 ))
      1.900     0.500     0.500 peak   738 spectrum    1 weight  0.10000E+01 volume  0.12398E-01 ppm1      2.535 ppm2      1.972 CV     1
 ASSI {  740}
   (  segid "UBI " and resid 71   and name HD2%)
   (( segid "UBI " and resid 71   and name HG  ))
      2.900     1.000     1.000 peak   740 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      1.641 ppm2      0.935 CV     1
 ASSI {  746}
   (( segid "UBI " and resid 58   and name HB2 ))
   (( segid "UBI " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   746 spectrum    1 weight  0.10000E+01 volume  0.40614E-02 ppm1      4.245 ppm2      2.229 CV     1
 ASSI {  747}
   (( segid "UBI " and resid 32   and name HB1 ))
   (( segid "UBI " and resid 32   and name HA  ))
      2.700     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.31380E-02 ppm1      4.295 ppm2      2.832 CV     1
 ASSI {  748}
   (( segid "UBI " and resid 58   and name HB1 ))
   (( segid "UBI " and resid 58   and name HA  ))
      3.100     1.200     1.200 peak   748 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      4.249 ppm2      2.968 CV     1
 ASSI {  752}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 13   and name HG11))
      1.800     0.400     0.400 peak   752 spectrum    1 weight  0.10000E+01 volume  0.21889E-01 ppm1      1.064 ppm2      1.421 CV     1
 ASSI {  757}
   (( segid "UBI " and resid 20   and name HB1 ))
   (( segid "UBI " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.35398E-02 ppm1      4.379 ppm2      3.741 CV     1
 ASSI {  758}
   (( segid "UBI " and resid 20   and name HB2 ))
   (( segid "UBI " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.47454E-02 ppm1      4.373 ppm2      4.133 CV     1
 ASSI {  762}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 72   and name HG2 ))
      2.600     0.900     0.900 peak   762 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1      1.455 ppm2      3.129 CV     1
 OR {  762}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 72   and name HG2 ))
 ASSI {  765}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 54   and name HG1 ))
      2.600     0.800     0.800 peak   765 spectrum    1 weight  0.10000E+01 volume  0.32919E-02 ppm1      1.815 ppm2      2.201 CV     1
 ASSI {  767}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 54   and name HG1 ))
      2.500     0.800     0.800 peak   767 spectrum    1 weight  0.10000E+01 volume  0.44632E-02 ppm1      1.813 ppm2      2.065 CV     1
 ASSI {  772}
   (( segid "UBI " and resid 24   and name HB2 ))
   (( segid "UBI " and resid 24   and name HA  ))
      2.400     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.50019E-02 ppm1      4.167 ppm2      2.593 CV     1
 OR {  772}
   (( segid "UBI " and resid 24   and name HB1 ))
   (( segid "UBI " and resid 24   and name HA  ))
 ASSI {  773}
   (  segid "UBI " and resid 8    and name HD2%)
   (( segid "UBI " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak   773 spectrum    1 weight  0.10000E+01 volume  0.37108E-02 ppm1      4.303 ppm2      0.939 CV     1
 ASSI {  774}
   (  segid "UBI " and resid 55   and name HG2%)
   (( segid "UBI " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   774 spectrum    1 weight  0.10000E+01 volume  0.17186E-02 ppm1      4.375 ppm2      1.123 CV     1
 ASSI {  777}
   (( segid "UBI " and resid 54   and name HD1 ))
   (( segid "UBI " and resid 54   and name HG1 ))
      3.500     1.500     1.500 peak   777 spectrum    1 weight  0.10000E+01 volume  0.70625E-03 ppm1      1.818 ppm2      3.122 CV     1
 ASSI {  778}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 69   and name HG  ))
      2.400     0.700     0.700 peak   778 spectrum    1 weight  0.10000E+01 volume  0.46941E-02 ppm1      1.271 ppm2      1.530 CV     1
 ASSI {  781}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 13   and name HG12))
      1.900     0.500     0.500 peak   781 spectrum    1 weight  0.10000E+01 volume  0.20264E-01 ppm1      1.396 ppm2      0.685 CV     1
 ASSI {  783}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 15   and name HD2%)
      2.100     0.500     0.500 peak   783 spectrum    1 weight  0.10000E+01 volume  0.11543E-01 ppm1      0.686 ppm2      1.392 CV     1
 ASSI {  790}
   (( segid "UBI " and resid 8    and name HB2 ))
   (( segid "UBI " and resid 8    and name HA  ))
      2.600     0.800     0.800 peak   790 spectrum    1 weight  0.10000E+01 volume  0.46000E-02 ppm1      4.298 ppm2      1.754 CV     1
 ASSI {  791}
   (( segid "UBI " and resid 8    and name HB1 ))
   (( segid "UBI " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.39331E-02 ppm1      4.298 ppm2      1.910 CV     1
 ASSI {  800}
   (( segid "UBI " and resid 29   and name HB2 ))
   (  segid "UBI " and resid 15   and name HD2%)
      3.200     1.300     1.300 peak   800 spectrum    1 weight  0.10000E+01 volume  0.96619E-03 ppm1      0.684 ppm2      2.110 CV     1
 ASSI {  801}
   (( segid "UBI " and resid 30   and name HG11))
   (  segid "UBI " and resid 15   and name HD2%)
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      0.682 ppm2      1.998 CV     1
 ASSI {  802}
   (( segid "UBI " and resid 29   and name HB1 ))
   (  segid "UBI " and resid 15   and name HD2%)
      3.200     1.300     1.300 peak   802 spectrum    1 weight  0.10000E+01 volume  0.88070E-03 ppm1      0.685 ppm2      1.921 CV     1
 ASSI {  807}
   (( segid "UBI " and resid 13   and name HB  ))
   (( segid "UBI " and resid 13   and name HG11))
      3.000     1.100     1.100 peak   807 spectrum    1 weight  0.10000E+01 volume  0.13510E-02 ppm1      1.065 ppm2      1.850 CV     1
 ASSI {  815}
   (( segid "UBI " and resid 68   and name HB2 ))
   (( segid "UBI " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   815 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      5.155 ppm2      2.839 CV     1
 ASSI {  816}
   (( segid "UBI " and resid 68   and name HB1 ))
   (( segid "UBI " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak   816 spectrum    1 weight  0.10000E+01 volume  0.29413E-02 ppm1      5.173 ppm2      2.997 CV     1
 ASSI {  817}
   (( segid "UBI " and resid 43   and name HG  ))
   (  segid "UBI " and resid 43   and name HD2%)
      2.300     0.600     0.600 peak   817 spectrum    1 weight  0.10000E+01 volume  0.73874E-02 ppm1      0.746 ppm2      1.431 CV     1
 ASSI {  819}
   (  segid "UBI " and resid 61   and name HD1%)
   (  segid "UBI " and resid 56   and name HD2%)
      2.300     0.700     0.700 peak   819 spectrum    1 weight  0.10000E+01 volume  0.63015E-02 ppm1      0.725 ppm2      0.411 CV     1
 ASSI {  825}
   (( segid "UBI " and resid 56   and name HB1 ))
   (  segid "UBI " and resid 56   and name HD2%)
      2.400     0.700     0.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.40186E-02 ppm1      0.723 ppm2      1.248 CV     1
 ASSI {  826}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 43   and name HD2%)
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.32406E-02 ppm1      0.743 ppm2      1.129 CV     1
 ASSI {  828}
   (( segid "UBI " and resid 43   and name HB1 ))
   (  segid "UBI " and resid 43   and name HD2%)
      2.400     0.700     0.700 peak   828 spectrum    1 weight  0.10000E+01 volume  0.53097E-02 ppm1      0.746 ppm2      1.541 CV     1
 ASSI {  829}
   (( segid "UBI " and resid 27   and name HE2 ))
   (  segid "UBI " and resid 43   and name HD2%)
      3.000     1.100     1.100 peak   829 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      0.743 ppm2      2.592 CV     1
 OR {  829}
   (( segid "UBI " and resid 27   and name HE1 ))
   (  segid "UBI " and resid 43   and name HD2%)
 ASSI {  830}
   (( segid "UBI " and resid 36   and name HG12))
   (( segid "UBI " and resid 36   and name HG11))
      1.700     0.300     0.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.30952E-01 ppm1      1.369 ppm2      1.064 CV     1
 ASSI {  837}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   837 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      5.033 ppm2      0.645 CV     1
 ASSI {  839}
   (  segid "UBI " and resid 8    and name HD1%)
   (( segid "UBI " and resid 8    and name HA  ))
      3.300     1.300     1.300 peak   839 spectrum    1 weight  0.10000E+01 volume  0.98329E-03 ppm1      4.300 ppm2      1.039 CV     1
 ASSI {  850}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.44718E-02 ppm1      4.343 ppm2      1.684 CV     1
 ASSI {  856}
   (  segid "UBI " and resid 36   and name HD1%)
   (( segid "UBI " and resid 36   and name HG11))
      2.000     0.500     0.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.13082E-01 ppm1      1.368 ppm2      0.755 CV     1
 ASSI {  857}
   (( segid "UBI " and resid 56   and name HB2 ))
   (  segid "UBI " and resid 56   and name HD2%)
      2.900     1.100     1.100 peak   857 spectrum    1 weight  0.10000E+01 volume  0.32491E-02 ppm1      0.726 ppm2      2.049 CV     1
 ASSI {  859}
   (( segid "UBI " and resid 19   and name HA  ))
   (  segid "UBI " and resid 56   and name HD2%)
      3.800     1.900     1.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.59596E-03 ppm1      0.730 ppm2      3.925 CV     1
 OR {  859}
   (( segid "UBI " and resid 19   and name HB2 ))
   (  segid "UBI " and resid 56   and name HD2%)
 ASSI {  861}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.83792E-03 ppm1      4.342 ppm2      1.208 CV     1
 ASSI {  862}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 51   and name HA  ))
      2.900     1.100     1.100 peak   862 spectrum    1 weight  0.10000E+01 volume  0.23171E-02 ppm1      4.433 ppm2      1.970 CV     1
 ASSI {  863}
   (( segid "UBI " and resid 51   and name HB1 ))
   (( segid "UBI " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   863 spectrum    1 weight  0.10000E+01 volume  0.35312E-02 ppm1      4.429 ppm2      2.200 CV     1
 ASSI {  864}
   (( segid "UBI " and resid 51   and name HG1 ))
   (( segid "UBI " and resid 51   and name HA  ))
      2.700     0.900     0.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.35740E-02 ppm1      4.428 ppm2      2.313 CV     1
 ASSI {  865}
   (( segid "UBI " and resid 51   and name HG2 ))
   (( segid "UBI " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   865 spectrum    1 weight  0.10000E+01 volume  0.43692E-02 ppm1      4.419 ppm2      2.417 CV     1
 ASSI {  867}
   (( segid "UBI " and resid 25   and name HB1 ))
   (( segid "UBI " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.22744E-02 ppm1      4.468 ppm2      3.188 CV     1
 ASSI {  872}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD2%)
      2.900     1.100     1.100 peak   872 spectrum    1 weight  0.10000E+01 volume  0.25394E-02 ppm1      0.503 ppm2      1.124 CV     1
 ASSI {  873}
   (( segid "UBI " and resid 50   and name HG  ))
   (  segid "UBI " and resid 50   and name HD2%)
      1.900     0.400     0.400 peak   873 spectrum    1 weight  0.10000E+01 volume  0.21718E-01 ppm1      0.504 ppm2      1.449 CV     1
 OR {  873}
   (( segid "UBI " and resid 50   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD2%)
 ASSI {  874}
   (( segid "UBI " and resid 67   and name HG  ))
   (  segid "UBI " and resid 50   and name HD2%)
      3.600     1.600     1.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.60023E-03 ppm1      0.505 ppm2      1.741 CV     1
 ASSI {  880}
   (( segid "UBI " and resid 64   and name HB2 ))
   (( segid "UBI " and resid 64   and name HB1 ))
      1.800     0.400     0.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.23086E-01 ppm1      2.510 ppm2      2.392 CV     1
 ASSI {  883}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HG1 ))
      2.200     0.600     0.600 peak   883 spectrum    1 weight  0.10000E+01 volume  0.69001E-02 ppm1      1.733 ppm2      1.404 CV     1
 ASSI {  884}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HG1 ))
      1.600     0.300     0.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.37621E-01 ppm1      1.730 ppm2      1.564 CV     1
 ASSI {  885}
   (( segid "UBI " and resid 39   and name HB2 ))
   (( segid "UBI " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   885 spectrum    1 weight  0.10000E+01 volume  0.44204E-02 ppm1      4.386 ppm2      2.640 CV     1
 ASSI {  886}
   (( segid "UBI " and resid 39   and name HB1 ))
   (( segid "UBI " and resid 39   and name HA  ))
      2.500     0.800     0.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.45915E-02 ppm1      4.385 ppm2      2.753 CV     1
 ASSI {  887}
   (( segid "UBI " and resid 28   and name HB2 ))
   (( segid "UBI " and resid 25   and name HA  ))
      2.800     1.000     1.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.23086E-02 ppm1      4.471 ppm2      4.091 CV     1
 OR {  887}
   (( segid "UBI " and resid 28   and name HB1 ))
   (( segid "UBI " and resid 25   and name HA  ))
 ASSI {  888}
   (  segid "UBI " and resid 50   and name HD1%)
   (( segid "UBI " and resid 50   and name HG  ))
      2.600     0.900     0.900 peak   888 spectrum    1 weight  0.10000E+01 volume  0.27446E-02 ppm1      1.447 ppm2     -0.182 CV     1
 ASSI {  893}
   (( segid "UBI " and resid 69   and name HB2 ))
   (  segid "UBI " and resid 69   and name HD1%)
      3.000     1.100     1.100 peak   893 spectrum    1 weight  0.10000E+01 volume  0.13339E-02 ppm1      0.694 ppm2      1.057 CV     1
 ASSI {  894}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD2%)
      3.100     1.200     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      0.501 ppm2      3.099 CV     1
 ASSI {  895}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD2%)
      3.100     1.200     1.200 peak   895 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      0.500 ppm2      2.750 CV     1
 ASSI {  897}
   (( segid "UBI " and resid 50   and name HA  ))
   (  segid "UBI " and resid 50   and name HD2%)
      3.900     1.900     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.30610E-03 ppm1      0.499 ppm2      4.032 CV     1
 ASSI {  901}
   (( segid "UBI " and resid 49   and name HB2 ))
   (( segid "UBI " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   901 spectrum    1 weight  0.10000E+01 volume  0.34714E-02 ppm1      4.561 ppm2      2.004 CV     1
 ASSI {  904}
   (( segid "UBI " and resid 21   and name HB1 ))
   (( segid "UBI " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.31465E-02 ppm1      4.667 ppm2      2.528 CV     1
 ASSI {  906}
   (( segid "UBI " and resid 72   and name HB1 ))
   (( segid "UBI " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   906 spectrum    1 weight  0.10000E+01 volume  0.20948E-02 ppm1      4.408 ppm2      1.509 CV     1
 ASSI {  907}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HA  ))
      3.100     1.200     1.200 peak   907 spectrum    1 weight  0.10000E+01 volume  0.15305E-02 ppm1      4.340 ppm2      1.382 CV     1
 ASSI {  908}
   (( segid "UBI " and resid 72   and name HB1 ))
   (( segid "UBI " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   908 spectrum    1 weight  0.10000E+01 volume  0.41726E-02 ppm1      4.265 ppm2      1.473 CV     1
 OR {  908}
   (( segid "UBI " and resid 72   and name HG2 ))
   (( segid "UBI " and resid 72   and name HA  ))
 ASSI {  910}
   (( segid "UBI " and resid 74   and name HB1 ))
   (( segid "UBI " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.32577E-02 ppm1      4.308 ppm2      1.857 CV     1
 ASSI {  911}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.55320E-02 ppm1      4.344 ppm2      1.787 CV     1
 ASSI {  913}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 49   and name HA  ))
      3.100     1.200     1.200 peak   913 spectrum    1 weight  0.10000E+01 volume  0.16844E-02 ppm1      4.567 ppm2      0.672 CV     1
 OR {  913}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 49   and name HA  ))
 ASSI {  915}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   915 spectrum    1 weight  0.10000E+01 volume  0.21632E-02 ppm1      4.551 ppm2      1.657 CV     1
 ASSI {  917}
   (( segid "UBI " and resid 34   and name HB1 ))
   (( segid "UBI " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak   917 spectrum    1 weight  0.10000E+01 volume  0.44718E-02 ppm1      4.552 ppm2      2.251 CV     1
 ASSI {  920}
   (( segid "UBI " and resid 25   and name HB2 ))
   (( segid "UBI " and resid 25   and name HA  ))
      2.600     0.800     0.800 peak   920 spectrum    1 weight  0.10000E+01 volume  0.34372E-02 ppm1      4.473 ppm2      2.868 CV     1
 ASSI {  921}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak   921 spectrum    1 weight  0.10000E+01 volume  0.12826E-02 ppm1      4.668 ppm2      2.933 CV     1
 ASSI {  922}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 40   and name HA  ))
      3.300     1.400     1.400 peak   922 spectrum    1 weight  0.10000E+01 volume  0.88070E-03 ppm1      4.395 ppm2      3.138 CV     1
 OR {  922}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 40   and name HA  ))
 ASSI {  923}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 72   and name HA  ))
      3.500     1.600     1.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.68317E-03 ppm1      4.267 ppm2      3.131 CV     1
 OR {  923}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 72   and name HA  ))
 ASSI {  924}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 40   and name HA  ))
      2.900     1.000     1.000 peak   924 spectrum    1 weight  0.10000E+01 volume  0.17100E-02 ppm1      4.403 ppm2      1.825 CV     1
 ASSI {  930}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HG1 ))
      2.100     0.500     0.500 peak   930 spectrum    1 weight  0.10000E+01 volume  0.12655E-01 ppm1      1.581 ppm2      1.819 CV     1
 OR {  930}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HG2 ))
 ASSI {  931}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 13   and name HG12))
      2.200     2.200     3.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.10089E-01 ppm1      1.398 ppm2      1.177 CV     1
 ASSI {  934}
   (( segid "UBI " and resid 11   and name HG2 ))
   (( segid "UBI " and resid 11   and name HG1 ))
      1.700     0.400     0.500 peak   934 spectrum    1 weight  0.10000E+01 volume  0.28900E-01 ppm1      1.212 ppm2      1.376 CV     1
 ASSI {  939}
   (( segid "UBI " and resid 67   and name HB1 ))
   (  segid "UBI " and resid 67   and name HD2%)
      2.600     0.800     0.800 peak   939 spectrum    1 weight  0.10000E+01 volume  0.34030E-02 ppm1      0.657 ppm2      1.615 CV     1
 OR {  939}
   (( segid "UBI " and resid 67   and name HB2 ))
   (  segid "UBI " and resid 67   and name HD2%)
 ASSI {  941}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 11   and name HG1 ))
      2.200     0.600     0.600 peak   941 spectrum    1 weight  0.10000E+01 volume  0.10346E-01 ppm1      1.218 ppm2      1.590 CV     1
 OR {  941}
   (( segid "UBI " and resid 11   and name HD1 ))
   (( segid "UBI " and resid 11   and name HG1 ))
 ASSI {  943}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak   943 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      4.356 ppm2      0.843 CV     1
 ASSI {  945}
   (( segid "UBI " and resid 2    and name HB1 ))
   (( segid "UBI " and resid 2    and name HA  ))
      2.900     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      5.262 ppm2      1.605 CV     1
 ASSI {  953}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 50   and name HG  ))
      1.900     0.500     0.500 peak   953 spectrum    1 weight  0.10000E+01 volume  0.18383E-01 ppm1      1.454 ppm2      0.499 CV     1
 ASSI {  959}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 3    and name HG12))
      1.900     0.500     0.500 peak   959 spectrum    1 weight  0.10000E+01 volume  0.13339E-01 ppm1      0.795 ppm2      1.023 CV     1
 ASSI {  960}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 67   and name HD2%)
      3.300     1.300     1.300 peak   960 spectrum    1 weight  0.10000E+01 volume  0.73446E-03 ppm1      0.621 ppm2      3.093 CV     1
 ASSI {  961}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 67   and name HD1%)
      4.500     2.500     1.500 peak   961 spectrum    1 weight  0.10000E+01 volume  0.19922E-03 ppm1      0.610 ppm2      2.742 CV     1
 ASSI {  962}
   (( segid "UBI " and resid 11   and name HE1 ))
   (( segid "UBI " and resid 11   and name HG1 ))
      3.100     1.200     1.200 peak   962 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      1.206 ppm2      2.884 CV     1
 OR {  962}
   (( segid "UBI " and resid 11   and name HE2 ))
   (( segid "UBI " and resid 11   and name HG1 ))
 ASSI {  966}
   (( segid "UBI " and resid 8    and name HB2 ))
   (  segid "UBI " and resid 8    and name HD1%)
      2.700     0.900     0.900 peak   966 spectrum    1 weight  0.10000E+01 volume  0.25736E-02 ppm1      1.044 ppm2      1.754 CV     1
 ASSI {  967}
   (( segid "UBI " and resid 6    and name HD1 ))
   (( segid "UBI " and resid 6    and name HG2 ))
      2.400     0.700     0.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.56859E-02 ppm1      1.233 ppm2      1.532 CV     1
 OR {  967}
   (( segid "UBI " and resid 6    and name HD2 ))
   (( segid "UBI " and resid 6    and name HG2 ))
 ASSI {  970}
   (( segid "UBI " and resid 67   and name HA  ))
   (  segid "UBI " and resid 67   and name HD1%)
      3.500     1.500     1.500 peak   970 spectrum    1 weight  0.10000E+01 volume  0.70027E-03 ppm1      0.618 ppm2      5.070 CV     1
 ASSI {  973}
   (( segid "UBI " and resid 72   and name HG1 ))
   (( segid "UBI " and resid 72   and name HA  ))
      2.400     0.700     0.700 peak   973 spectrum    1 weight  0.10000E+01 volume  0.49335E-02 ppm1      4.267 ppm2      1.531 CV     1
 OR {  973}
   (( segid "UBI " and resid 72   and name HB1 ))
   (( segid "UBI " and resid 72   and name HA  ))
 ASSI {  976}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 42   and name HA  ))
      2.600     0.800     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.34970E-02 ppm1      4.505 ppm2      1.569 CV     1
 ASSI {  987}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   987 spectrum    1 weight  0.10000E+01 volume  0.22231E-02 ppm1      5.354 ppm2      1.294 CV     1
 ASSI {  989}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HG1 ))
      2.600     0.800     0.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.28387E-02 ppm1      1.217 ppm2      1.675 CV     1
 ASSI {  990}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 6    and name HG2 ))
      1.800     0.400     0.400 peak   990 spectrum    1 weight  0.10000E+01 volume  0.19238E-01 ppm1      1.229 ppm2      1.446 CV     1
 ASSI {  993}
   (( segid "UBI " and resid 71   and name HG  ))
   (  segid "UBI " and resid 71   and name HD2%)
      2.300     0.700     0.700 peak   993 spectrum    1 weight  0.10000E+01 volume  0.66264E-02 ppm1      0.937 ppm2      1.657 CV     1
 OR {  993}
   (( segid "UBI " and resid 71   and name HB1 ))
   (  segid "UBI " and resid 71   and name HD2%)
 ASSI {  997}
   (( segid "UBI " and resid 16   and name HB1 ))
   (( segid "UBI " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.23000E-02 ppm1      4.875 ppm2      1.883 CV     1
 ASSI { 1008}
   (( segid "UBI " and resid 1    and name HB1 ))
   (( segid "UBI " and resid 1    and name HA  ))
      2.600     0.800     0.800 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.35312E-02 ppm1      4.205 ppm2      2.150 CV     1
 ASSI { 1010}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 54   and name HA  ))
      2.900     1.000     1.000 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.18554E-02 ppm1      4.667 ppm2      1.589 CV     1
 ASSI { 1011}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      4.666 ppm2      2.071 CV     1
 ASSI { 1012}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 54   and name HA  ))
      2.900     1.000     1.000 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      4.662 ppm2      2.209 CV     1
 ASSI { 1013}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 16   and name HA  ))
      2.900     1.100     1.100 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.13681E-02 ppm1      4.873 ppm2      5.258 CV     1
 ASSI { 1017}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 15   and name HD1%)
      2.500     0.800     0.800 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.41298E-02 ppm1      0.738 ppm2      1.391 CV     1
 ASSI { 1018}
   (( segid "UBI " and resid 71   and name HG  ))
   (  segid "UBI " and resid 71   and name HD1%)
      2.100     0.500     0.500 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.12484E-01 ppm1      0.831 ppm2      1.633 CV     1
 OR { 1018}
   (( segid "UBI " and resid 71   and name HB1 ))
   (  segid "UBI " and resid 71   and name HD1%)
 ASSI { 1020}
   (( segid "UBI " and resid 54   and name HD1 ))
   (( segid "UBI " and resid 54   and name HA  ))
      3.300     1.300     1.300 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.85076E-03 ppm1      4.658 ppm2      3.117 CV     1
 ASSI { 1023}
   (( segid "UBI " and resid 73   and name HB1 ))
   (( segid "UBI " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.45658E-02 ppm1      4.359 ppm2      1.542 CV     1
 ASSI { 1024}
   (( segid "UBI " and resid 73   and name HB2 ))
   (( segid "UBI " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.27617E-02 ppm1      4.355 ppm2      1.637 CV     1
 ASSI { 1027}
   (( segid "UBI " and resid 50   and name HB2 ))
   (( segid "UBI " and resid 50   and name HA  ))
      2.900     1.000     1.000 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.21205E-02 ppm1      4.042 ppm2      0.981 CV     1
 ASSI { 1028}
   (( segid "UBI " and resid 50   and name HB1 ))
   (( segid "UBI " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.19495E-02 ppm1      4.038 ppm2      1.449 CV     1
 OR { 1028}
   (( segid "UBI " and resid 50   and name HG  ))
   (( segid "UBI " and resid 50   and name HA  ))
 ASSI { 1031}
   (( segid "UBI " and resid 43   and name HA  ))
   (  segid "UBI " and resid 43   and name HD1%)
      2.600     0.800     0.800 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.36424E-02 ppm1      0.779 ppm2      5.340 CV     1
 ASSI { 1033}
   (( segid "UBI " and resid 18   and name HB1 ))
   (( segid "UBI " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.51473E-02 ppm1      4.824 ppm2      2.175 CV     1
 OR { 1033}
   (( segid "UBI " and resid 18   and name HG2 ))
   (( segid "UBI " and resid 18   and name HA  ))
 ASSI { 1035}
   (( segid "UBI " and resid 64   and name HG1 ))
   (( segid "UBI " and resid 63   and name HG1 ))
      2.700     0.900     0.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.23855E-02 ppm1      1.470 ppm2      2.227 CV     1
 OR { 1035}
   (( segid "UBI " and resid 64   and name HG1 ))
   (( segid "UBI " and resid 63   and name HG2 ))
 OR { 1035}
   (( segid "UBI " and resid 64   and name HG2 ))
   (( segid "UBI " and resid 63   and name HG1 ))
 ASSI { 1041}
   (( segid "UBI " and resid 30   and name HA  ))
   (  segid "UBI " and resid 15   and name HD1%)
      3.600     1.600     1.600 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.59767E-03 ppm1      0.738 ppm2      3.486 CV     1
 ASSI { 1043}
   (( segid "UBI " and resid 29   and name HE2 ))
   (  segid "UBI " and resid 15   and name HD1%)
      3.500     1.500     1.500 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.39502E-03 ppm1      0.740 ppm2      3.140 CV     1
 ASSI { 1047}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HA  ))
      3.000     1.100     1.100 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      5.063 ppm2      0.674 CV     1
 ASSI { 1049}
   (( segid "UBI " and resid 71   and name HB2 ))
   (( segid "UBI " and resid 71   and name HA  ))
      2.800     0.900     0.900 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      5.039 ppm2      1.490 CV     1
 ASSI { 1050}
   (( segid "UBI " and resid 67   and name HB1 ))
   (( segid "UBI " and resid 67   and name HA  ))
      2.300     0.700     0.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.61049E-02 ppm1      5.072 ppm2      1.595 CV     1
 OR { 1050}
   (( segid "UBI " and resid 67   and name HB2 ))
   (( segid "UBI " and resid 67   and name HA  ))
 ASSI { 1052}
   (( segid "UBI " and resid 1    and name HB2 ))
   (( segid "UBI " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.44889E-02 ppm1      4.209 ppm2      2.012 CV     1
 OR { 1052}
   (( segid "UBI " and resid 1    and name HG1 ))
   (( segid "UBI " and resid 1    and name HA  ))
 ASSI { 1053}
   (( segid "UBI " and resid 62   and name HB1 ))
   (( segid "UBI " and resid 62   and name HA  ))
      2.400     0.700     0.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.52413E-02 ppm1      4.465 ppm2      2.229 CV     1
 ASSI { 1058}
   (( segid "UBI " and resid 8    and name HG  ))
   (  segid "UBI " and resid 8    and name HD2%)
      2.500     0.800     0.800 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.41640E-02 ppm1      0.943 ppm2      1.861 CV     1
 ASSI { 1060}
   (( segid "UBI " and resid 41   and name HG1 ))
   (  segid "UBI " and resid 69   and name HD2%)
      3.100     1.200     1.200 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.14621E-02 ppm1      0.825 ppm2      2.481 CV     1
 ASSI { 1061}
   (( segid "UBI " and resid 69   and name HG  ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.300     0.600     0.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.67291E-02 ppm1      0.827 ppm2      1.275 CV     1
 ASSI { 1062}
   (( segid "UBI " and resid 71   and name HB1 ))
   (( segid "UBI " and resid 71   and name HA  ))
      2.300     0.700     0.700 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.61049E-02 ppm1      5.042 ppm2      1.658 CV     1
 OR { 1062}
   (( segid "UBI " and resid 71   and name HG  ))
   (( segid "UBI " and resid 71   and name HA  ))
 ASSI { 1063}
   (  segid "UBI " and resid 50   and name HD1%)
   (( segid "UBI " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.53524E-02 ppm1      4.039 ppm2     -0.186 CV     1
 ASSI { 1064}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.17784E-02 ppm1      4.607 ppm2      1.487 CV     1
 OR { 1064}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HA  ))
 ASSI { 1065}
   (( segid "UBI " and resid 48   and name HB1 ))
   (( segid "UBI " and resid 48   and name HA  ))
      2.300     0.700     0.700 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.69257E-02 ppm1      4.605 ppm2      1.852 CV     1
 OR { 1065}
   (( segid "UBI " and resid 48   and name HB2 ))
   (( segid "UBI " and resid 48   and name HA  ))
 ASSI { 1066}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 62   and name HA  ))
      3.300     1.400     1.400 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.83709E-03 ppm1      4.463 ppm2      1.652 CV     1
 ASSI { 1067}
   (( segid "UBI " and resid 62   and name HB2 ))
   (( segid "UBI " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.15561E-02 ppm1      4.463 ppm2      1.862 CV     1
 ASSI { 1068}
   (( segid "UBI " and resid 60   and name HB2 ))
   (( segid "UBI " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.28643E-02 ppm1      4.319 ppm2      2.770 CV     1
 ASSI { 1069}
   (( segid "UBI " and resid 60   and name HB1 ))
   (( segid "UBI " and resid 60   and name HA  ))
      2.600     0.900     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      4.320 ppm2      3.294 CV     1
 ASSI { 1075}
   (( segid "UBI " and resid 21   and name HB1 ))
   (  segid "UBI " and resid 26   and name HG2%)
      3.100     1.200     1.200 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      0.959 ppm2      2.529 CV     1
 ASSI { 1076}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 18   and name HA  ))
      3.400     1.500     1.500 peak  1076 spectrum    1 weight  0.10000E+01 volume  0.76183E-03 ppm1      4.823 ppm2      2.329 CV     1
 ASSI { 1080}
   (( segid "UBI " and resid 41   and name HB2 ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.600     0.800     0.800 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.38647E-02 ppm1      0.825 ppm2      1.859 CV     1
 ASSI { 1081}
   (( segid "UBI " and resid 56   and name HG  ))
   (  segid "UBI " and resid 56   and name HD1%)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.43008E-02 ppm1      0.594 ppm2      1.688 CV     1
 ASSI { 1082}
   (  segid "UBI " and resid 26   and name HG2%)
   (  segid "UBI " and resid 56   and name HD1%)
      2.700     0.900     0.900 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.23941E-02 ppm1      0.596 ppm2      0.955 CV     1
 ASSI { 1084}
   (( segid "UBI " and resid 56   and name HA  ))
   (  segid "UBI " and resid 56   and name HD1%)
      2.900     1.100     1.100 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.35056E-02 ppm1      0.595 ppm2      4.029 CV     1
 ASSI { 1085}
   (( segid "UBI " and resid 69   and name HA  ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.800     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.30952E-02 ppm1      0.826 ppm2      5.175 CV     1
 ASSI { 1087}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.26848E-02 ppm1      5.182 ppm2      1.055 CV     1
 ASSI { 1089}
   (( segid "UBI " and resid 56   and name HB1 ))
   (  segid "UBI " and resid 56   and name HD1%)
      2.800     1.000     1.000 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.19324E-02 ppm1      0.595 ppm2      1.249 CV     1
 ASSI { 1096}
   (( segid "UBI " and resid 61   and name HB  ))
   (  segid "UBI " and resid 56   and name HD1%)
      3.200     1.300     1.300 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.10517E-02 ppm1      0.592 ppm2      1.368 CV     1
 ASSI { 1097}
   (( segid "UBI " and resid 21   and name HB2 ))
   (  segid "UBI " and resid 26   and name HG2%)
      3.500     1.500     1.500 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.63443E-03 ppm1      0.957 ppm2      2.938 CV     1
 ASSI { 1098}
   (( segid "UBI " and resid 8    and name HB2 ))
   (  segid "UBI " and resid 8    and name HD2%)
      2.700     0.900     0.900 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      0.945 ppm2      1.753 CV     1
 ASSI { 1101}
   (( segid "UBI " and resid 18   and name HB2 ))
   (( segid "UBI " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      4.830 ppm2      1.658 CV     1
 ASSI { 1105}
   (( segid "UBI " and resid 43   and name HB2 ))
   (( segid "UBI " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.25052E-02 ppm1      5.348 ppm2      1.124 CV     1
 ASSI { 1106}
   (( segid "UBI " and resid 43   and name HB1 ))
   (( segid "UBI " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.20863E-02 ppm1      5.349 ppm2      1.543 CV     1
 ASSI { 1107}
   (( segid "UBI " and resid 27   and name HE2 ))
   (( segid "UBI " and resid 43   and name HA  ))
      2.600     2.600     3.400 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.45658E-02 ppm1      5.345 ppm2      2.553 CV     1
 OR { 1107}
   (( segid "UBI " and resid 27   and name HE1 ))
   (( segid "UBI " and resid 43   and name HA  ))
 ASSI { 1109}
   (( segid "UBI " and resid 15   and name HB2 ))
   (( segid "UBI " and resid 15   and name HA  ))
      2.600     0.900     0.900 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      4.759 ppm2      1.181 CV     1
 ASSI { 1110}
   (( segid "UBI " and resid 15   and name HB1 ))
   (( segid "UBI " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.13852E-02 ppm1      4.753 ppm2      1.340 CV     1
 ASSI { 1111}
   (( segid "UBI " and resid 62   and name HG2 ))
   (( segid "UBI " and resid 62   and name HA  ))
      3.100     1.200     1.200 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      4.467 ppm2      2.319 CV     1
 ASSI { 1113}
   (( segid "UBI " and resid 73   and name HB2 ))
   (  segid "UBI " and resid 73   and name HD1%)
      2.200     0.600     0.600 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.78662E-02 ppm1      0.847 ppm2      1.614 CV     1
 ASSI { 1115}
   (( segid "UBI " and resid 5    and name HB  ))
   (  segid "UBI " and resid 5    and name HG1%)
      2.300     0.700     0.700 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.58911E-02 ppm1      0.666 ppm2      1.880 CV     1
 ASSI { 1119}
   (( segid "UBI " and resid 69   and name HB2 ))
   (  segid "UBI " and resid 5    and name HG1%)
      2.400     0.700     0.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.47368E-02 ppm1      0.668 ppm2      1.061 CV     1
 ASSI { 1121}
   (( segid "UBI " and resid 26   and name HB  ))
   (  segid "UBI " and resid 26   and name HG1%)
      2.200     0.600     0.600 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.85419E-02 ppm1      0.668 ppm2      2.329 CV     1
 ASSI { 1122}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.57116E-02 ppm1      4.754 ppm2      0.736 CV     1
 ASSI { 1123}
   (( segid "UBI " and resid 15   and name HG  ))
   (( segid "UBI " and resid 15   and name HA  ))
      3.300     1.400     1.400 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.96619E-03 ppm1      4.753 ppm2      1.389 CV     1
 ASSI { 1133}
   (  segid "UBI " and resid 17   and name HG2%)
   (  segid "UBI " and resid 17   and name HG1%)
      2.200     0.600     0.600 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.91490E-02 ppm1      0.681 ppm2      0.406 CV     1
 ASSI { 1145}
   (  segid "UBI " and resid 4    and name HD% )
   (  segid "UBI " and resid 14   and name HG2%)
      3.300     1.400     1.400 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.89780E-03 ppm1      1.107 ppm2      0.435 CV     1
 ASSI { 1146}
   (  segid "UBI " and resid 4    and name HE% )
   (  segid "UBI " and resid 14   and name HG2%)
      2.900     1.100     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.16929E-02 ppm1      1.107 ppm2      0.605 CV     1
 OR { 1146}
   (( segid "UBI " and resid 4    and name HZ  ))
   (  segid "UBI " and resid 14   and name HG2%)
 ASSI { 1160}
   (( segid "UBI " and resid 70   and name HB  ))
   (  segid "UBI " and resid 70   and name HG2%)
      2.300     0.600     0.600 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.63015E-02 ppm1      0.903 ppm2      1.894 CV     1
 ASSI { 1164}
   (( segid "UBI " and resid 4    and name HB1 ))
   (  segid "UBI " and resid 12   and name HG2%)
      3.200     1.300     1.300 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.76437E-03 ppm1      1.056 ppm2      3.010 CV     1
 ASSI { 1169}
   (( segid "UBI " and resid 42   and name HB2 ))
   (  segid "UBI " and resid 70   and name HG1%)
      3.000     1.100     1.100 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1      0.807 ppm2      1.536 CV     1
 ASSI { 1174}
   (( segid "UBI " and resid 37   and name HD2 ))
   (( segid "UBI " and resid 37   and name HD1 ))
      1.900     0.500     0.500 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.12997E-01 ppm1      4.184 ppm2      3.538 CV     1
 ASSI { 1182}
   (( segid "UBI " and resid 5    and name HB  ))
   (  segid "UBI " and resid 5    and name HG2%)
      2.400     0.700     0.700 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.49848E-02 ppm1      0.708 ppm2      1.882 CV     1
 ASSI { 1183}
   (( segid "UBI " and resid 36   and name HA  ))
   (( segid "UBI " and resid 37   and name HD1 ))
      2.400     0.700     0.700 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.40785E-02 ppm1      4.179 ppm2      4.388 CV     1
 ASSI { 1186}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 37   and name HD2 ))
      2.700     0.900     0.900 peak  1186 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      3.546 ppm2      0.919 CV     1
 ASSI { 1187}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 38   and name HD1 ))
      2.600     0.800     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.32235E-02 ppm1      3.725 ppm2      1.584 CV     1
 OR { 1187}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 38   and name HD2 ))
 ASSI { 1189}
   (( segid "UBI " and resid 38   and name HG2 ))
   (( segid "UBI " and resid 38   and name HD2 ))
      2.600     0.800     0.800 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.32833E-02 ppm1      3.727 ppm2      2.160 CV     1
 OR { 1189}
   (( segid "UBI " and resid 38   and name HG2 ))
   (( segid "UBI " and resid 38   and name HD1 ))
 ASSI { 1193}
   (( segid "UBI " and resid 37   and name HG1 ))
   (( segid "UBI " and resid 37   and name HD1 ))
      2.700     0.900     0.900 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.20008E-02 ppm1      4.183 ppm2      2.017 CV     1
 ASSI { 1205}
   (  segid "UBI " and resid 56   and name HD2%)
   (  segid "UBI " and resid 1    and name HE% )
      2.800     2.800     3.200 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.29413E-02 ppm1      1.657 ppm2      0.721 CV     1
 ASSI { 1208}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.54208E-02 ppm1      0.597 ppm2      1.733 CV     1
 ASSI { 1212}
   (  segid "UBI " and resid 7    and name HG2%)
   (  segid "UBI " and resid 69   and name HD1%)
      2.800     1.000     1.000 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.25223E-02 ppm1      0.694 ppm2      1.161 CV     1
 ASSI { 1216}
   (  segid "UBI " and resid 26   and name HG2%)
   (  segid "UBI " and resid 26   and name HG1%)
      2.100     0.600     0.600 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.10260E-01 ppm1      0.669 ppm2      0.956 CV     1
 ASSI { 1219}
   (( segid "UBI " and resid 67   and name HB2 ))
   (  segid "UBI " and resid 67   and name HD1%)
      2.500     0.800     0.800 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.40699E-02 ppm1      0.617 ppm2      1.604 CV     1
 OR { 1219}
   (( segid "UBI " and resid 67   and name HB1 ))
   (  segid "UBI " and resid 67   and name HD1%)
 ASSI { 1222}
   (  segid "UBI " and resid 56   and name HD2%)
   (  segid "UBI " and resid 56   and name HD1%)
      2.000     0.500     0.500 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.16929E-01 ppm1      0.595 ppm2      0.718 CV     1
 ASSI { 1224}
   (( segid "UBI " and resid 33   and name HD2 ))
   (( segid "UBI " and resid 33   and name HG1 ))
      1.800     0.400     0.400 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.25479E-01 ppm1      1.578 ppm2      1.697 CV     1
 OR { 1224}
   (( segid "UBI " and resid 33   and name HD1 ))
   (( segid "UBI " and resid 33   and name HG2 ))
 OR { 1224}
   (( segid "UBI " and resid 33   and name HD2 ))
   (( segid "UBI " and resid 33   and name HG2 ))
 OR { 1224}
   (( segid "UBI " and resid 33   and name HD1 ))
   (( segid "UBI " and resid 33   and name HG1 ))
 ASSI { 1225}
   (( segid "UBI " and resid 11   and name HB1 ))
   (  segid "UBI " and resid 7    and name HG2%)
      2.800     1.000     1.000 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      1.163 ppm2      1.788 CV     1
 ASSI { 1226}
   (( segid "UBI " and resid 11   and name HB2 ))
   (  segid "UBI " and resid 7    and name HG2%)
      3.100     1.200     1.200 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      1.165 ppm2      1.677 CV     1
 ASSI { 1227}
   (( segid "UBI " and resid 69   and name HB1 ))
   (  segid "UBI " and resid 7    and name HG2%)
      2.500     0.800     0.800 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      1.163 ppm2      1.555 CV     1
 ASSI { 1228}
   (( segid "UBI " and resid 11   and name HG2 ))
   (  segid "UBI " and resid 7    and name HG2%)
      2.500     2.500     3.500 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.47197E-02 ppm1      1.164 ppm2      1.374 CV     1
 ASSI { 1229}
   (( segid "UBI " and resid 2    and name HB1 ))
   (  segid "UBI " and resid 14   and name HG2%)
      3.000     1.100     1.100 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.13766E-02 ppm1      1.108 ppm2      1.603 CV     1
 ASSI { 1231}
   (( segid "UBI " and resid 69   and name HB1 ))
   (  segid "UBI " and resid 5    and name HG1%)
      3.000     1.100     1.100 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.21290E-02 ppm1      0.666 ppm2      1.536 CV     1
 ASSI { 1235}
   (  segid "UBI " and resid 1    and name HE% )
   (  segid "UBI " and resid 3    and name HG2%)
      3.100     1.200     1.200 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.11201E-02 ppm1      0.579 ppm2      1.657 CV     1
 ASSI { 1243}
   (( segid "UBI " and resid 67   and name HB2 ))
   (  segid "UBI " and resid 5    and name HG2%)
      2.500     0.800     0.800 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.38904E-02 ppm1      0.708 ppm2      1.607 CV     1
 OR { 1243}
   (( segid "UBI " and resid 67   and name HB1 ))
   (  segid "UBI " and resid 5    and name HG2%)
 ASSI { 1244}
   (  segid "UBI " and resid 30   and name HD1%)
   (  segid "UBI " and resid 5    and name HG2%)
      2.100     0.500     0.500 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.11115E-01 ppm1      0.710 ppm2      0.868 CV     1
 ASSI { 1245}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 5    and name HG2%)
      2.900     1.100     1.100 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.17870E-02 ppm1      0.708 ppm2      1.391 CV     1
 ASSI { 1248}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HE1 ))
      3.100     3.100     2.900 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      2.597 ppm2      1.364 CV     1
 OR { 1248}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HE2 ))
 ASSI { 1250}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.31380E-02 ppm1      1.741 ppm2      1.027 CV     1
 ASSI { 1251}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HE2 ))
      2.900     1.000     1.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      3.135 ppm2      1.485 CV     1
 OR { 1251}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HE2 ))
 OR { 1251}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 48   and name HE1 ))
 OR { 1251}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 48   and name HE1 ))
 ASSI { 1253}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.25394E-02 ppm1      0.992 ppm2      0.497 CV     1
 ASSI { 1256}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 41   and name HG1 ))
      3.100     1.200     1.200 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      2.496 ppm2      0.919 CV     1
 ASSI { 1259}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 31   and name HA  ))
      2.700     0.900     0.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.29498E-02 ppm1      3.804 ppm2      1.895 CV     1
 ASSI { 1262}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HD2 ))
      1.700     0.400     0.500 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.35740E-01 ppm1      1.713 ppm2      1.471 CV     1
 OR { 1262}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HD1 ))
 OR { 1262}
   (( segid "UBI " and resid 63   and name HG2 ))
   (( segid "UBI " and resid 63   and name HD2 ))
 OR { 1262}
   (( segid "UBI " and resid 63   and name HG1 ))
   (( segid "UBI " and resid 63   and name HD1 ))
 ASSI { 1271}
   (( segid "UBI " and resid 37   and name HG2 ))
   (( segid "UBI " and resid 37   and name HD1 ))
      3.200     1.300     1.300 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.12484E-02 ppm1      4.175 ppm2      2.086 CV     1
 ASSI { 1273}
   (( segid "UBI " and resid 37   and name HG2 ))
   (( segid "UBI " and resid 37   and name HD2 ))
      2.600     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.24112E-02 ppm1      3.546 ppm2      2.085 CV     1
 ASSI { 1275}
   (( segid "UBI " and resid 5    and name HA  ))
   (  segid "UBI " and resid 5    and name HG1%)
      3.600     1.700     1.700 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.41726E-03 ppm1      0.662 ppm2      4.764 CV     1
 ASSI { 1276}
   (  segid "UBI " and resid 4    and name HD% )
   (( segid "UBI " and resid 4    and name HA  ))
      3.200     1.200     1.200 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      5.587 ppm2      0.439 CV     1
 ASSI { 1277}
   (( segid "UBI " and resid 4    and name HB2 ))
   (( segid "UBI " and resid 4    and name HA  ))
      2.900     1.100     1.100 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.18725E-02 ppm1      5.586 ppm2      2.837 CV     1
 ASSI { 1278}
   (( segid "UBI " and resid 4    and name HB1 ))
   (( segid "UBI " and resid 4    and name HA  ))
      3.300     1.400     1.400 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.66948E-03 ppm1      5.595 ppm2      3.012 CV     1
 ASSI { 1284}
   (( segid "UBI " and resid 71   and name HA  ))
   (  segid "UBI " and resid 71   and name HD2%)
      3.800     1.800     1.800 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      0.935 ppm2      5.038 CV     1
 ASSI { 1285}
   (( segid "UBI " and resid 33   and name HE1 ))
   (( segid "UBI " and resid 33   and name HG2 ))
      3.200     1.300     1.300 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      1.581 ppm2      3.147 CV     1
 OR { 1285}
   (( segid "UBI " and resid 33   and name HE1 ))
   (( segid "UBI " and resid 33   and name HG1 ))
 ASSI { 1286}
   (( segid "UBI " and resid 54   and name HD2 ))
   (( segid "UBI " and resid 54   and name HG2 ))
      3.300     1.400     1.400 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.93200E-03 ppm1      1.588 ppm2      3.062 CV     1
 ASSI { 1290}
   (( segid "UBI " and resid 72   and name HA  ))
   (( segid "UBI " and resid 72   and name HG2 ))
      3.300     1.400     1.400 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.84650E-03 ppm1      1.484 ppm2      4.262 CV     1
 ASSI { 1291}
   (( segid "UBI " and resid 72   and name HA  ))
   (( segid "UBI " and resid 72   and name HG1 ))
      3.400     1.500     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.58655E-03 ppm1      1.531 ppm2      4.264 CV     1
 ASSI { 1292}
   (( segid "UBI " and resid 74   and name HA  ))
   (( segid "UBI " and resid 74   and name HG1 ))
      3.700     1.700     1.700 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.41897E-03 ppm1      1.626 ppm2      4.306 CV     1
 OR { 1292}
   (( segid "UBI " and resid 74   and name HA  ))
   (( segid "UBI " and resid 74   and name HG2 ))
 ASSI { 1294}
   (( segid "UBI " and resid 38   and name HA  ))
   (( segid "UBI " and resid 38   and name HG1 ))
      3.400     1.400     1.400 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.85501E-03 ppm1      1.599 ppm2      4.089 CV     1
 ASSI { 1297}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 23   and name HG11))
      3.400     1.400     1.400 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.71053E-03 ppm1      1.294 ppm2      0.257 CV     1
 ASSI { 1300}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 43   and name HG  ))
      1.800     0.400     0.400 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.28387E-01 ppm1      1.433 ppm2      0.747 CV     1
 OR { 1300}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 43   and name HG  ))
 ASSI { 1301}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 13   and name HG12))
      2.400     0.700     0.700 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.55491E-02 ppm1      1.427 ppm2      0.851 CV     1
 ASSI { 1303}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 42   and name HG2 ))
      2.100     0.500     0.500 peak  1303 spectrum    1 weight  0.10000E+01 volume  0.12313E-01 ppm1      1.428 ppm2      1.726 CV     1
 OR { 1303}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 42   and name HG1 ))
 ASSI { 1308}
   (( segid "UBI " and resid 38   and name HB1 ))
   (( segid "UBI " and resid 38   and name HG1 ))
      2.300     0.700     0.700 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.46171E-02 ppm1      1.592 ppm2      2.242 CV     1
 ASSI { 1309}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.51473E-02 ppm1      4.663 ppm2      0.607 CV     1
 ASSI { 1311}
   (( segid "UBI " and resid 37   and name HD2 ))
   (( segid "UBI " and resid 37   and name HG1 ))
      3.300     1.400     1.400 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      2.018 ppm2      3.541 CV     1
 ASSI { 1314}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 44   and name HG12))
      3.500     1.500     1.500 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.75324E-03 ppm1      1.046 ppm2      1.680 CV     1
 ASSI { 1317}
   (( segid "UBI " and resid 41   and name HB1 ))
   (( segid "UBI " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.14963E-02 ppm1      4.213 ppm2      1.949 CV     1
 ASSI { 1318}
   (( segid "UBI " and resid 41   and name HB2 ))
   (( segid "UBI " and resid 41   and name HA  ))
      2.500     0.800     0.800 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.37279E-02 ppm1      4.212 ppm2      1.861 CV     1
 ASSI { 1326}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 33   and name HD1 ))
      3.800     1.800     1.800 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.40272E-03 ppm1      1.690 ppm2      0.750 CV     1
 OR { 1326}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 33   and name HD2 ))
 ASSI { 1328}
   (( segid "UBI " and resid 44   and name HG12))
   (( segid "UBI " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.87211E-03 ppm1      5.005 ppm2      1.053 CV     1
 ASSI { 1330}
   (( segid "UBI " and resid 5    and name HB  ))
   (( segid "UBI " and resid 5    and name HA  ))
      3.700     1.700     1.700 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.40870E-03 ppm1      4.770 ppm2      1.883 CV     1
 ASSI { 1332}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 2    and name HB2 ))
      3.200     1.300     1.300 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.95761E-03 ppm1      1.826 ppm2      5.259 CV     1
 ASSI { 1334}
   (( segid "UBI " and resid 65   and name HB2 ))
   (( segid "UBI " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.14279E-02 ppm1      4.619 ppm2      3.621 CV     1
 ASSI { 1335}
   (( segid "UBI " and resid 65   and name HB1 ))
   (( segid "UBI " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      4.616 ppm2      3.880 CV     1
 ASSI { 1342}
   (( segid "UBI " and resid 1    and name HG2 ))
   (( segid "UBI " and resid 1    and name HB1 ))
      2.900     1.000     1.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      2.152 ppm2      2.479 CV     1
 ASSI { 1343}
   (( segid "UBI " and resid 1    and name HG2 ))
   (( segid "UBI " and resid 1    and name HB2 ))
      3.400     1.400     1.400 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.98329E-03 ppm1      2.010 ppm2      2.470 CV     1
 ASSI { 1350}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 6    and name HB1 ))
      3.000     1.200     1.200 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.15476E-02 ppm1      1.634 ppm2      5.348 CV     1
 ASSI { 1357}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 40   and name HG2 ))
      3.600     1.600     1.600 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.49763E-03 ppm1      2.386 ppm2      0.924 CV     1
 OR { 1357}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 40   and name HG1 ))
 ASSI { 1358}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HB2 ))
      3.000     1.100     1.100 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      1.301 ppm2      0.856 CV     1
 ASSI { 1360}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 34   and name HG1 ))
      3.000     1.100     1.100 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.13424E-02 ppm1      2.147 ppm2      0.687 CV     1
 ASSI { 1367}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 30   and name HB  ))
      2.700     0.900     0.900 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.32064E-02 ppm1      2.328 ppm2      1.733 CV     1
 OR { 1367}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 30   and name HB  ))
 ASSI { 1372}
   (  segid "UBI " and resid 50   and name HD1%)
   (  segid "UBI " and resid 23   and name HD1%)
      3.900     1.900     1.900 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.32748E-03 ppm1      0.552 ppm2     -0.185 CV     1
 ASSI { 1373}
   (  segid "UBI " and resid 59   and name HE% )
   (  segid "UBI " and resid 23   and name HD1%)
      2.800     1.000     1.000 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.18468E-02 ppm1      0.554 ppm2      0.265 CV     1
 ASSI { 1374}
   (( segid "UBI " and resid 50   and name HB1 ))
   (  segid "UBI " and resid 23   and name HD1%)
      3.000     1.100     1.100 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      0.552 ppm2      1.440 CV     1
 ASSI { 1375}
   (( segid "UBI " and resid 26   and name HB  ))
   (  segid "UBI " and resid 23   and name HD1%)
      3.600     1.600     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.65153E-03 ppm1      0.552 ppm2      2.336 CV     1
 ASSI { 1376}
   (( segid "UBI " and resid 23   and name HB  ))
   (  segid "UBI " and resid 23   and name HD1%)
      3.500     1.500     1.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.89780E-03 ppm1      0.553 ppm2      2.469 CV     1
 ASSI { 1380}
   (( segid "UBI " and resid 56   and name HG  ))
   (( segid "UBI " and resid 56   and name HB2 ))
      2.800     1.000     1.000 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.17613E-02 ppm1      2.054 ppm2      1.693 CV     1
 ASSI { 1387}
   (( segid "UBI " and resid 61   and name HG11))
   (( segid "UBI " and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.11971E-02 ppm1      3.469 ppm2      1.099 CV     1
 ASSI { 1388}
   (( segid "UBI " and resid 66   and name HA  ))
   (( segid "UBI " and resid 66   and name HB  ))
      3.200     1.300     1.300 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.94909E-03 ppm1      4.034 ppm2      5.239 CV     1
 ASSI { 1389}
   (  segid "UBI " and resid 4    and name HD% )
   (( segid "UBI " and resid 4    and name HB1 ))
      2.800     1.000     1.000 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.19153E-02 ppm1      3.017 ppm2      0.443 CV     1
 ASSI { 1390}
   (  segid "UBI " and resid 4    and name HD% )
   (( segid "UBI " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak  1390 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      2.832 ppm2      0.438 CV     1
 ASSI { 1392}
   (( segid "UBI " and resid 66   and name HA  ))
   (( segid "UBI " and resid 4    and name HB2 ))
      3.400     1.400     1.400 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.58826E-03 ppm1      2.826 ppm2      5.240 CV     1
 ASSI { 1394}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 13   and name HB  ))
      2.800     1.000     1.000 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.24539E-02 ppm1      1.828 ppm2      1.424 CV     1
 ASSI { 1396}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 4    and name HB2 ))
      4.600     2.700     1.400 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.21889E-03 ppm1      2.784 ppm2      1.045 CV     1
 ASSI { 1399}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 6    and name HE1 ))
      3.000     1.100     1.100 peak  1399 spectrum    1 weight  0.10000E+01 volume  0.17870E-02 ppm1      2.857 ppm2      1.453 CV     1
 OR { 1399}
   (( segid "UBI " and resid 6    and name HG1 ))
   (( segid "UBI " and resid 6    and name HE2 ))
 ASSI { 1401}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 11   and name HE2 ))
      2.400     0.700     0.700 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.58142E-02 ppm1      2.847 ppm2      1.577 CV     1
 OR { 1401}
   (( segid "UBI " and resid 11   and name HD1 ))
   (( segid "UBI " and resid 11   and name HE1 ))
 OR { 1401}
   (( segid "UBI " and resid 11   and name HD1 ))
   (( segid "UBI " and resid 11   and name HE2 ))
 OR { 1401}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 11   and name HE1 ))
 ASSI { 1402}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HE2 ))
      3.400     1.400     1.400 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.95761E-03 ppm1      2.884 ppm2      1.675 CV     1
 OR { 1402}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HE1 ))
 ASSI { 1405}
   (( segid "UBI " and resid 71   and name HA  ))
   (( segid "UBI " and resid 71   and name HB1 ))
      3.200     1.200     1.200 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.88921E-03 ppm1      1.670 ppm2      5.036 CV     1
 ASSI { 1410}
   (( segid "UBI " and resid 42   and name HG2 ))
   (( segid "UBI " and resid 42   and name HD1 ))
      2.500     0.800     0.800 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.41298E-02 ppm1      3.062 ppm2      1.455 CV     1
 OR { 1410}
   (( segid "UBI " and resid 42   and name HG1 ))
   (( segid "UBI " and resid 42   and name HD1 ))
 ASSI { 1414}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 42   and name HD2 ))
      3.100     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      2.986 ppm2      1.559 CV     1
 ASSI { 1415}
   (( segid "UBI " and resid 42   and name HG1 ))
   (( segid "UBI " and resid 42   and name HD2 ))
      2.500     0.800     0.800 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.43008E-02 ppm1      2.983 ppm2      1.447 CV     1
 OR { 1415}
   (( segid "UBI " and resid 42   and name HG2 ))
   (( segid "UBI " and resid 42   and name HD2 ))
 ASSI { 1416}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 54   and name HD1 ))
      3.300     1.300     1.300 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.88070E-03 ppm1      3.129 ppm2      2.199 CV     1
 ASSI { 1417}
   (( segid "UBI " and resid 54   and name HB1 ))
   (( segid "UBI " and resid 54   and name HD2 ))
      3.300     1.300     1.300 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.97471E-03 ppm1      3.062 ppm2      2.209 CV     1
 ASSI { 1418}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 54   and name HD2 ))
      3.400     1.500     1.500 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.68744E-03 ppm1      3.064 ppm2      2.056 CV     1
 ASSI { 1422}
   (( segid "UBI " and resid 54   and name HG1 ))
   (( segid "UBI " and resid 54   and name HD2 ))
      3.100     1.200     1.200 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.10859E-02 ppm1      3.065 ppm2      1.813 CV     1
 ASSI { 1427}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HD1 ))
      2.700     0.900     0.900 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.24197E-02 ppm1      3.186 ppm2      1.642 CV     1
 OR { 1427}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 74   and name HD2 ))
 OR { 1427}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HD2 ))
 OR { 1427}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 74   and name HD1 ))
 ASSI { 1431}
   (( segid "UBI " and resid 44   and name HB  ))
   (  segid "UBI " and resid 44   and name HD1%)
      2.700     0.900     0.900 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.25992E-02 ppm1      0.700 ppm2      1.685 CV     1
 ASSI { 1433}
   (( segid "UBI " and resid 3    and name HG12))
   (  segid "UBI " and resid 3    and name HD1%)
      1.900     0.500     0.500 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.16758E-01 ppm1      0.564 ppm2      0.790 CV     1
 ASSI { 1437}
   (  segid "UBI " and resid 17   and name HG2%)
   (  segid "UBI " and resid 3    and name HD1%)
      2.100     0.500     0.500 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.12569E-01 ppm1      0.564 ppm2      0.418 CV     1
 ASSI { 1439}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 61   and name HD1%)
      3.400     1.400     1.400 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.79349E-03 ppm1      0.405 ppm2      3.096 CV     1
 ASSI { 1440}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 61   and name HD1%)
      3.700     1.700     1.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.41726E-03 ppm1      0.402 ppm2      2.749 CV     1
 ASSI { 1443}
   (  segid "UBI " and resid 4    and name HE% )
   (  segid "UBI " and resid 13   and name HD1%)
      2.100     2.100     3.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.17357E-01 ppm1      0.691 ppm2      0.575 CV     1
 OR { 1443}
   (( segid "UBI " and resid 4    and name HZ  ))
   (  segid "UBI " and resid 13   and name HD1%)
 ASSI { 1445}
   (( segid "UBI " and resid 69   and name HG  ))
   (( segid "UBI " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.47454E-02 ppm1      1.063 ppm2      1.275 CV     1
 ASSI { 1453}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 43   and name HB1 ))
      3.300     1.400     1.400 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.74045E-03 ppm1      1.526 ppm2      0.508 CV     1
 ASSI { 1458}
   (( segid "UBI " and resid 6    and name HE1 ))
   (( segid "UBI " and resid 10   and name HA1 ))
      4.300     2.300     1.700 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.27190E-03 ppm1      3.594 ppm2      2.845 CV     1
 OR { 1458}
   (( segid "UBI " and resid 6    and name HE2 ))
   (( segid "UBI " and resid 10   and name HA1 ))
 ASSI { 1463}
   (( segid "UBI " and resid 48   and name HG1 ))
   (  segid "UBI " and resid 46   and name HB% )
      3.800     1.800     1.800 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      0.862 ppm2      1.486 CV     1
 OR { 1463}
   (( segid "UBI " and resid 48   and name HG2 ))
   (  segid "UBI " and resid 46   and name HB% )
 ASSI { 1464}
   (( segid "UBI " and resid 48   and name HE2 ))
   (  segid "UBI " and resid 46   and name HB% )
      3.600     1.600     1.600 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.47026E-03 ppm1      0.855 ppm2      3.134 CV     1
 OR { 1464}
   (( segid "UBI " and resid 48   and name HE1 ))
   (  segid "UBI " and resid 46   and name HB% )
 ASSI { 1466}
   (  segid "UBI " and resid 30   and name HD1%)
   (  segid "UBI " and resid 30   and name HG2%)
      2.200     0.600     0.600 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.78752E-02 ppm1      0.675 ppm2      0.865 CV     1
 ASSI { 1469}
   (( segid "UBI " and resid 37   and name HD1 ))
   (  segid "UBI " and resid 36   and name HG2%)
      3.900     1.900     1.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.75757E-03 ppm1      0.920 ppm2      4.179 CV     1
 ASSI { 1471}
   (( segid "UBI " and resid 33   and name HB1 ))
   (  segid "UBI " and resid 13   and name HG2%)
      3.300     1.400     1.400 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.71566E-03 ppm1      0.855 ppm2      1.987 CV     1
 ASSI { 1472}
   (( segid "UBI " and resid 37   and name HG2 ))
   (  segid "UBI " and resid 36   and name HG2%)
      4.400     2.400     1.600 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.31465E-03 ppm1      0.924 ppm2      2.060 CV     1
 ASSI { 1473}
   (( segid "UBI " and resid 26   and name HB  ))
   (  segid "UBI " and resid 23   and name HG2%)
      3.500     1.500     1.500 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.57201E-03 ppm1      0.756 ppm2      2.340 CV     1
 ASSI { 1478}
   (  segid "UBI " and resid 4    and name HE% )
   (  segid "UBI " and resid 13   and name HG2%)
      3.200     1.300     1.300 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.17699E-02 ppm1      0.855 ppm2      0.608 CV     1
 OR { 1478}
   (( segid "UBI " and resid 4    and name HZ  ))
   (  segid "UBI " and resid 13   and name HG2%)
 ASSI { 1482}
   (( segid "UBI " and resid 13   and name HG11))
   (  segid "UBI " and resid 13   and name HG2%)
      2.500     0.800     0.800 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.48822E-02 ppm1      0.855 ppm2      1.062 CV     1
 ASSI { 1483}
   (  segid "UBI " and resid 23   and name HD1%)
   (  segid "UBI " and resid 23   and name HG2%)
      2.200     0.600     0.600 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.89780E-02 ppm1      0.752 ppm2      0.553 CV     1
 ASSI { 1488}
   (( segid "UBI " and resid 3    and name HG12))
   (  segid "UBI " and resid 17   and name HG2%)
      2.400     0.700     0.700 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.45658E-02 ppm1      0.414 ppm2      0.793 CV     1
 ASSI { 1491}
   (( segid "UBI " and resid 19   and name HB1 ))
   (  segid "UBI " and resid 1    and name HE% )
      2.900     1.100     1.100 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.18896E-02 ppm1      1.659 ppm2      3.878 CV     1
 OR { 1491}
   (( segid "UBI " and resid 19   and name HB2 ))
   (  segid "UBI " and resid 1    and name HE% )
 ASSI { 1495}
   (( segid "UBI " and resid 56   and name HB2 ))
   (  segid "UBI " and resid 56   and name HD1%)
      3.100     1.200     1.200 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      0.601 ppm2      2.032 CV     1
 ASSI { 1500}
   (  segid "UBI " and resid 61   and name HD1%)
   (  segid "UBI " and resid 67   and name HD1%)
      2.500     0.800     0.800 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.42837E-02 ppm1      0.617 ppm2      0.410 CV     1
 ASSI { 1501}
   (  segid "UBI " and resid 61   and name HD1%)
   (  segid "UBI " and resid 67   and name HD2%)
      2.600     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.29669E-02 ppm1      0.660 ppm2      0.407 CV     1
 ASSI { 1514}
   (  segid "UBI " and resid 36   and name HD1%)
   (( segid "UBI " and resid 34   and name HB2 ))
      3.000     1.100     1.100 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.24197E-02 ppm1      1.675 ppm2      0.731 CV     1
 ASSI { 1520}
   (( segid "UBI " and resid 25   and name HB2 ))
   (  segid "UBI " and resid 26   and name HG2%)
      4.000     2.000     2.000 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.48138E-03 ppm1      0.958 ppm2      2.877 CV     1
 ASSI { 1522}
   (  segid "UBI " and resid 17   and name HG2%)
   (  segid "UBI " and resid 26   and name HG2%)
      3.000     1.200     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      0.963 ppm2      0.415 CV     1
 ASSI { 1526}
   (( segid "UBI " and resid 3    and name HG11))
   (  segid "UBI " and resid 3    and name HG2%)
      3.200     1.300     1.300 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.20350E-02 ppm1      0.599 ppm2      1.024 CV     1
 ASSI { 1529}
   (( segid "UBI " and resid 15   and name HB2 ))
   (  segid "UBI " and resid 15   and name HD2%)
      2.700     0.900     0.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.22316E-02 ppm1      0.686 ppm2      1.181 CV     1
 ASSI { 1533}
   (( segid "UBI " and resid 19   and name HA  ))
   (  segid "UBI " and resid 56   and name HD1%)
      4.000     2.000     2.000 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.28216E-03 ppm1      0.602 ppm2      3.915 CV     1
 ASSI { 1536}
   (( segid "UBI " and resid 30   and name HG11))
   (  segid "UBI " and resid 15   and name HD1%)
      3.000     1.100     1.100 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.12911E-02 ppm1      0.740 ppm2      1.997 CV     1
 ASSI { 1540}
   (( segid "UBI " and resid 15   and name HB2 ))
   (  segid "UBI " and resid 15   and name HD1%)
      2.800     1.000     1.000 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.33688E-02 ppm1      0.737 ppm2      1.179 CV     1
 ASSI { 1542}
   (( segid "UBI " and resid 27   and name HE2 ))
   (  segid "UBI " and resid 43   and name HD1%)
      3.400     1.500     1.500 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.65495E-03 ppm1      0.784 ppm2      2.564 CV     1
 OR { 1542}
   (( segid "UBI " and resid 27   and name HE1 ))
   (  segid "UBI " and resid 43   and name HD1%)
 ASSI { 1543}
   (( segid "UBI " and resid 43   and name HB1 ))
   (  segid "UBI " and resid 43   and name HD1%)
      2.600     0.800     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.37450E-02 ppm1      0.780 ppm2      1.546 CV     1
 ASSI { 1548}
   (( segid "UBI " and resid 69   and name HB2 ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.300     0.700     0.700 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.93200E-02 ppm1      0.829 ppm2      1.060 CV     1
 ASSI { 1556}
   (  segid "UBI " and resid 8    and name HD2%)
   (  segid "UBI " and resid 8    and name HD1%)
      1.800     0.400     0.400 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.31807E-01 ppm1      1.031 ppm2      0.939 CV     1
 ASSI { 1559}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      4.401 ppm2      1.766 CV     1
 ASSI { 1560}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 42   and name HA  ))
      2.700     0.900     0.900 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.22402E-02 ppm1      4.501 ppm2      1.721 CV     1
 ASSI { 1561}
   (( segid "UBI " and resid 42   and name HG2 ))
   (( segid "UBI " and resid 42   and name HA  ))
      2.600     0.900     0.900 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.30354E-02 ppm1      4.502 ppm2      1.446 CV     1
 OR { 1561}
   (( segid "UBI " and resid 42   and name HG1 ))
   (( segid "UBI " and resid 42   and name HA  ))
 ASSI { 1563}
   (( segid "UBI " and resid 11   and name HB2 ))
   (( segid "UBI " and resid 11   and name HG2 ))
      2.400     0.700     0.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.68915E-02 ppm1      1.380 ppm2      1.678 CV     1
 ASSI { 1564}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 11   and name HG2 ))
      2.700     0.900     0.900 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.20179E-02 ppm1      1.382 ppm2      1.790 CV     1
 ASSI { 1565}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 16   and name HA  ))
      3.200     1.300     1.300 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.86360E-03 ppm1      4.870 ppm2      2.053 CV     1
 ASSI { 1566}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.19495E-02 ppm1      5.065 ppm2      0.622 CV     1
 OR { 1566}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 67   and name HA  ))
 ASSI { 1567}
   (( segid "UBI " and resid 67   and name HG  ))
   (( segid "UBI " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.25223E-02 ppm1      5.067 ppm2      1.737 CV     1
 ASSI { 1569}
   (( segid "UBI " and resid 2    and name HB2 ))
   (  segid "UBI " and resid 14   and name HG2%)
      2.600     0.900     0.900 peak  1569 spectrum    1 weight  0.10000E+01 volume  0.35227E-02 ppm1      1.107 ppm2      1.853 CV     1
 OR { 1569}
   (( segid "UBI " and resid 2    and name HG2 ))
   (  segid "UBI " and resid 14   and name HG2%)
 ASSI { 1570}
   (  segid "UBI " and resid 69   and name HD2%)
   (  segid "UBI " and resid 7    and name HG2%)
      2.600     0.800     0.800 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.33175E-02 ppm1      1.166 ppm2      0.858 CV     1
 ASSI { 1572}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 24   and name HA  ))
      3.700     1.700     1.700 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.11201E-02 ppm1      4.178 ppm2      2.075 CV     1
 ASSI { 1573}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 24   and name HA  ))
      2.900     2.900     3.100 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      4.176 ppm2      1.703 CV     1
 OR { 1573}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 24   and name HA  ))
 ASSI { 1576}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HG  ))
      2.300     0.700     0.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.63357E-02 ppm1      1.741 ppm2      0.660 CV     1
 ASSI { 1577}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 40   and name HB2 ))
      2.900     1.100     1.100 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.20777E-02 ppm1      1.839 ppm2      0.921 CV     1
 ASSI { 1578}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HD2 ))
      2.300     0.700     0.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.69086E-02 ppm1      1.412 ppm2      1.565 CV     1
 ASSI { 1579}
   (( segid "UBI " and resid 29   and name HB1 ))
   (( segid "UBI " and resid 29   and name HD2 ))
      3.300     1.300     1.300 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      1.406 ppm2      1.907 CV     1
 ASSI { 1580}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HD2 ))
      3.100     1.200     1.200 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      1.403 ppm2      2.105 CV     1
 ASSI { 1581}
   (( segid "UBI " and resid 29   and name HE1 ))
   (( segid "UBI " and resid 29   and name HD1 ))
      3.100     1.200     1.200 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      1.759 ppm2      2.949 CV     1
 ASSI { 1582}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 16   and name HB2 ))
      2.600     0.800     0.800 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.46513E-02 ppm1      1.802 ppm2      2.203 CV     1
 ASSI { 1584}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 16   and name HB1 ))
      2.000     0.500     0.500 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.22573E-01 ppm1      1.887 ppm2      2.045 CV     1
 ASSI { 1585}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.75070E-02 ppm1      1.884 ppm2      2.206 CV     1
 ASSI { 1589}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 2    and name HB2 ))
      2.300     0.700     0.700 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.53952E-02 ppm1      1.837 ppm2      2.201 CV     1
 ASSI { 1593}
   (( segid "UBI " and resid 31   and name HB2 ))
   (( segid "UBI " and resid 31   and name HA  ))
      3.200     1.300     1.300 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.84135E-03 ppm1      3.801 ppm2      2.533 CV     1
 ASSI { 1596}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 61   and name HA  ))
      3.500     1.500     1.500 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.12997E-02 ppm1      3.374 ppm2      0.399 CV     1
 ASSI { 1599}
   (( segid "UBI " and resid 45   and name HZ  ))
   (( segid "UBI " and resid 61   and name HA  ))
      3.600     1.600     1.600 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.55833E-03 ppm1      3.380 ppm2      0.851 CV     1
 ASSI { 1611}
   (( segid "UBI " and resid 50   and name HA  ))
   (( segid "UBI " and resid 50   and name HB1 ))
      3.300     1.300     1.300 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.70198E-03 ppm1      1.450 ppm2      4.040 CV     1
 ASSI { 1613}
   (  segid "UBI " and resid 50   and name HD1%)
   (( segid "UBI " and resid 50   and name HB1 ))
      3.500     1.600     1.600 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.59510E-03 ppm1      1.461 ppm2     -0.178 CV     1
 ASSI { 1616}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 50   and name HB2 ))
      3.500     1.500     1.500 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.12655E-02 ppm1      0.990 ppm2      1.297 CV     1
 ASSI { 1621}
   (( segid "UBI " and resid 67   and name HG  ))
   (( segid "UBI " and resid 67   and name HB2 ))
      2.000     0.500     0.500 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.14279E-01 ppm1      1.608 ppm2      1.737 CV     1
 OR { 1621}
   (( segid "UBI " and resid 67   and name HG  ))
   (( segid "UBI " and resid 67   and name HB1 ))
 ASSI { 1623}
   (( segid "UBI " and resid 11   and name HE1 ))
   (  segid "UBI " and resid 13   and name HG2%)
      3.900     1.900     1.900 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.41811E-03 ppm1      0.855 ppm2      2.881 CV     1
 OR { 1623}
   (( segid "UBI " and resid 11   and name HE2 ))
   (  segid "UBI " and resid 13   and name HG2%)
 ASSI { 1625}
   (( segid "UBI " and resid 33   and name HE1 ))
   (  segid "UBI " and resid 13   and name HG2%)
      3.700     1.700     1.700 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.38049E-03 ppm1      0.859 ppm2      3.155 CV     1
 ASSI { 1626}
   (( segid "UBI " and resid 15   and name HB2 ))
   (  segid "UBI " and resid 13   and name HG2%)
      2.800     1.000     1.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.18041E-02 ppm1      0.859 ppm2      1.167 CV     1
 ASSI { 1628}
   (( segid "UBI " and resid 34   and name HB1 ))
   (  segid "UBI " and resid 30   and name HG2%)
      3.300     1.300     1.300 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.19409E-02 ppm1      0.677 ppm2      2.263 CV     1
 ASSI { 1631}
   (( segid "UBI " and resid 59   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD1%)
      4.000     2.000     2.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.28558E-03 ppm1     -0.181 ppm2      2.496 CV     1
 ASSI { 1633}
   (( segid "UBI " and resid 34   and name HG2 ))
   (( segid "UBI " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.26335E-02 ppm1      4.554 ppm2      2.045 CV     1
 ASSI { 1637}
   (( segid "UBI " and resid 44   and name HG11))
   (( segid "UBI " and resid 49   and name HA  ))
      4.000     2.000     2.000 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.54636E-03 ppm1      4.570 ppm2      1.305 CV     1
 ASSI { 1638}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 27   and name HA  ))
      3.400     1.400     1.400 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.54379E-03 ppm1      4.611 ppm2      1.733 CV     1
 OR { 1638}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 27   and name HA  ))
 ASSI { 1641}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 68   and name HB1 ))
      3.400     1.400     1.400 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.16758E-02 ppm1      2.996 ppm2      1.686 CV     1
 ASSI { 1642}
   (( segid "UBI " and resid 44   and name HB  ))
   (( segid "UBI " and resid 68   and name HB2 ))
      2.500     0.800     0.800 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.28729E-02 ppm1      2.847 ppm2      1.683 CV     1
 ASSI { 1643}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 68   and name HA  ))
      3.800     1.800     1.800 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.66008E-03 ppm1      5.158 ppm2      1.294 CV     1
 ASSI { 1651}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 1    and name HE% )
      2.300     2.300     3.700 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.97471E-02 ppm1      1.661 ppm2      1.769 CV     1
 ASSI { 1652}
   (( segid "UBI " and resid 34   and name HG2 ))
   (  segid "UBI " and resid 30   and name HG2%)
      3.600     1.600     1.600 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.67376E-03 ppm1      0.681 ppm2      2.054 CV     1
 ASSI { 1655}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      1.547 ppm2      0.843 CV     1
 ASSI { 1657}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 3    and name HB  ))
      2.100     0.500     0.500 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.12569E-01 ppm1      1.743 ppm2      0.588 CV     1
 OR { 1657}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 3    and name HB  ))
 ASSI { 1662}
   (( segid "UBI " and resid 54   and name HG1 ))
   (( segid "UBI " and resid 54   and name HA  ))
      2.800     1.000     1.000 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.23599E-02 ppm1      4.665 ppm2      1.809 CV     1
 ASSI { 1663}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 26   and name HA  ))
      3.600     1.600     1.600 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.10089E-02 ppm1      3.336 ppm2      1.524 CV     1
 ASSI { 1664}
   (( segid "UBI " and resid 29   and name HB1 ))
   (( segid "UBI " and resid 26   and name HA  ))
      3.800     1.800     1.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.83276E-03 ppm1      3.330 ppm2      1.909 CV     1
 ASSI { 1665}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 38   and name HA  ))
      3.100     1.200     1.200 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      4.105 ppm2      1.698 CV     1
 OR { 1665}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 38   and name HA  ))
 ASSI { 1668}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 65   and name HB2 ))
      3.500     1.500     1.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.41555E-03 ppm1      3.624 ppm2      0.661 CV     1
 ASSI { 1670}
   (( segid "UBI " and resid 31   and name HB2 ))
   (( segid "UBI " and resid 31   and name HG2 ))
      3.900     1.900     1.900 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.44889E-03 ppm1      1.890 ppm2      2.525 CV     1
 ASSI { 1671}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 40   and name HG1 ))
      3.000     1.200     1.200 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      2.395 ppm2      1.940 CV     1
 OR { 1671}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 40   and name HG2 ))
 ASSI { 1678}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HB1 ))
      1.900     0.400     0.400 peak  1678 spectrum    1 weight  0.10000E+01 volume  0.15989E-01 ppm1      2.082 ppm2      1.407 CV     1
 ASSI { 1681}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 7    and name HA  ))
      4.200     2.300     1.800 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.47283E-03 ppm1      5.011 ppm2      1.046 CV     1
 ASSI { 1684}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.16758E-02 ppm1      4.613 ppm2      1.936 CV     1
 ASSI { 1686}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 13   and name HA  ))
      3.600     1.700     1.700 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.49848E-03 ppm1      4.467 ppm2      0.694 CV     1
 ASSI { 1689}
   (( segid "UBI " and resid 56   and name HA  ))
   (  segid "UBI " and resid 56   and name HD2%)
      3.700     1.700     1.700 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.37108E-03 ppm1      0.734 ppm2      4.017 CV     1
 ASSI { 1690}
   (( segid "UBI " and resid 49   and name HB1 ))
   (( segid "UBI " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.29755E-02 ppm1      4.566 ppm2      1.915 CV     1
 ASSI { 1691}
   (( segid "UBI " and resid 2    and name HB2 ))
   (( segid "UBI " and resid 2    and name HA  ))
      2.600     0.800     0.800 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.35141E-02 ppm1      5.263 ppm2      1.843 CV     1
 OR { 1691}
   (( segid "UBI " and resid 2    and name HG2 ))
   (( segid "UBI " and resid 2    and name HA  ))
 ASSI { 1697}
   (( segid "UBI " and resid 45   and name HB2 ))
   (( segid "UBI " and resid 45   and name HA  ))
      2.600     0.800     0.800 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.28472E-02 ppm1      5.034 ppm2      3.098 CV     1
 ASSI { 1698}
   (( segid "UBI " and resid 45   and name HB1 ))
   (( segid "UBI " and resid 45   and name HA  ))
      3.400     1.500     1.500 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.87211E-03 ppm1      5.034 ppm2      2.748 CV     1
 ASSI { 1700}
   (( segid "UBI " and resid 49   and name HA  ))
   (( segid "UBI " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.94909E-03 ppm1      5.002 ppm2      4.566 CV     1
 ASSI { 1702}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.12569E-02 ppm1      5.178 ppm2      1.532 CV     1
 ASSI { 1703}
   (( segid "UBI " and resid 69   and name HG  ))
   (( segid "UBI " and resid 69   and name HA  ))
      3.300     1.400     1.400 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.68744E-03 ppm1      5.180 ppm2      1.275 CV     1
 ASSI { 1710}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 45   and name HA  ))
      4.100     2.100     1.900 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.35740E-03 ppm1      5.035 ppm2      0.469 CV     1
 ASSI { 1719}
   (( segid "UBI " and resid 47   and name HA2 ))
   (  segid "UBI " and resid 44   and name HG2%)
      3.800     1.800     1.800 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.30696E-03 ppm1      0.657 ppm2      3.392 CV     1
 ASSI { 1720}
   (( segid "UBI " and resid 68   and name HB2 ))
   (  segid "UBI " and resid 44   and name HG2%)
      3.800     1.800     1.800 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.41469E-03 ppm1      0.653 ppm2      2.834 CV     1
 ASSI { 1721}
   (( segid "UBI " and resid 44   and name HB  ))
   (  segid "UBI " and resid 44   and name HG2%)
      2.400     0.700     0.700 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.49335E-02 ppm1      0.655 ppm2      1.685 CV     1
 ASSI { 1723}
   (( segid "UBI " and resid 44   and name HG11))
   (  segid "UBI " and resid 44   and name HG2%)
      3.400     1.400     1.400 peak  1723 spectrum    1 weight  0.10000E+01 volume  0.14193E-02 ppm1      0.656 ppm2      1.311 CV     1
 ASSI { 1724}
   (( segid "UBI " and resid 44   and name HG12))
   (  segid "UBI " and resid 44   and name HG2%)
      2.700     0.900     0.900 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.23599E-02 ppm1      0.654 ppm2      1.049 CV     1
 ASSI { 1725}
   (  segid "UBI " and resid 4    and name HD% )
   (  segid "UBI " and resid 13   and name HD1%)
      3.200     3.200     2.800 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      0.702 ppm2      0.400 CV     1
 ASSI { 1727}
   (( segid "UBI " and resid 42   and name HB2 ))
   (  segid "UBI " and resid 44   and name HD1%)
      3.400     1.400     1.400 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.83194E-03 ppm1      0.684 ppm2      1.583 CV     1
 ASSI { 1732}
   (( segid "UBI " and resid 49   and name HB2 ))
   (( segid "UBI " and resid 49   and name HG1 ))
      2.100     0.500     0.500 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.13681E-01 ppm1      2.126 ppm2      2.004 CV     1
 ASSI { 1733}
   (( segid "UBI " and resid 49   and name HB1 ))
   (( segid "UBI " and resid 49   and name HG1 ))
      2.100     0.600     0.600 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.10004E-01 ppm1      2.126 ppm2      1.918 CV     1
 ASSI { 1734}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HB1 ))
      1.600     0.300     0.600 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.41811E-01 ppm1      1.992 ppm2      1.826 CV     1
 ASSI { 1735}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 31   and name HG1 ))
      2.500     0.800     0.800 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.63699E-02 ppm1      2.264 ppm2      1.975 CV     1
 ASSI { 1740}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 2    and name HA  ))
      3.400     1.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.74045E-03 ppm1      5.267 ppm2      2.213 CV     1
 ASSI { 1742}
   (( segid "UBI " and resid 49   and name HG2 ))
   (( segid "UBI " and resid 49   and name HB1 ))
      2.300     0.700     0.700 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.73874E-02 ppm1      1.921 ppm2      2.235 CV     1
 ASSI { 1746}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 27   and name HB2 ))
      2.500     0.800     0.800 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.32064E-02 ppm1      1.407 ppm2      1.576 CV     1
 OR { 1746}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 27   and name HB2 ))
 ASSI { 1747}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 27   and name HB1 ))
      4.100     2.100     1.900 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.16160E-03 ppm1      2.065 ppm2      4.621 CV     1
 ASSI { 1749}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 27   and name HB2 ))
      4.000     2.000     2.000 peak  1749 spectrum    1 weight  0.10000E+01 volume  0.57800E-03 ppm1      1.417 ppm2      1.706 CV     1
 OR { 1749}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 27   and name HB2 ))
 ASSI { 1750}
   (( segid "UBI " and resid 17   and name HB  ))
   (  segid "UBI " and resid 17   and name HG1%)
      2.200     0.600     0.600 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.94909E-02 ppm1      0.679 ppm2      2.327 CV     1
 ASSI { 1751}
   (( segid "UBI " and resid 61   and name HB  ))
   (( segid "UBI " and resid 56   and name HB1 ))
      2.400     2.400     3.600 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.39673E-02 ppm1      1.240 ppm2      1.365 CV     1
 ASSI { 1754}
   (( segid "UBI " and resid 56   and name HG  ))
   (  segid "UBI " and resid 56   and name HD2%)
      2.000     0.500     0.500 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.12740E-01 ppm1      0.726 ppm2      1.692 CV     1
 ASSI { 1755}
   (( segid "UBI " and resid 21   and name HB1 ))
   (  segid "UBI " and resid 56   and name HD2%)
      3.900     1.900     1.900 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.34457E-03 ppm1      0.733 ppm2      2.524 CV     1
 ASSI { 1758}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 3    and name HG12))
      2.000     0.500     0.500 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.13766E-01 ppm1      0.796 ppm2      0.567 CV     1
 OR { 1758}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 3    and name HG12))
 ASSI { 1760}
   (  segid "UBI " and resid 69   and name HD1%)
   (  segid "UBI " and resid 71   and name HD2%)
      3.000     1.100     1.100 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.15390E-02 ppm1      0.937 ppm2      0.678 CV     1
 ASSI { 1761}
   (( segid "UBI " and resid 15   and name HB1 ))
   (( segid "UBI " and resid 3    and name HG11))
      2.600     0.900     0.900 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.21547E-02 ppm1      1.023 ppm2      1.345 CV     1
 ASSI { 1762}
   (( segid "UBI " and resid 69   and name HG  ))
   (  segid "UBI " and resid 71   and name HD2%)
      3.300     1.400     1.400 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.84732E-03 ppm1      0.940 ppm2      1.294 CV     1
 ASSI { 1764}
   (( segid "UBI " and resid 31   and name HG1 ))
   (( segid "UBI " and resid 31   and name HB2 ))
      2.600     0.900     0.900 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.23941E-02 ppm1      2.535 ppm2      2.258 CV     1
 ASSI { 1767}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 42   and name HD1 ))
      3.400     1.400     1.400 peak  1767 spectrum    1 weight  0.10000E+01 volume  0.64383E-03 ppm1      3.063 ppm2      1.740 CV     1
 ASSI { 1768}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 30   and name HB  ))
      2.500     0.800     0.800 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.37621E-02 ppm1      2.332 ppm2      1.992 CV     1
 ASSI { 1770}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 50   and name HB2 ))
      3.500     1.500     1.500 peak  1770 spectrum    1 weight  0.10000E+01 volume  0.11629E-02 ppm1      0.991 ppm2      0.545 CV     1
 ASSI { 1774}
   (( segid "UBI " and resid 23   and name HG11))
   (  segid "UBI " and resid 50   and name HD2%)
      3.800     1.800     1.800 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.45829E-03 ppm1      0.505 ppm2      1.272 CV     1
 ASSI { 1777}
   (( segid "UBI " and resid 21   and name HB2 ))
   (( segid "UBI " and resid 17   and name HB  ))
      3.900     1.900     1.900 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.27019E-03 ppm1      2.334 ppm2      2.949 CV     1
 ASSI { 1778}
   (  segid "UBI " and resid 67   and name HD2%)
   (  segid "UBI " and resid 50   and name HD1%)
      3.200     1.300     1.300 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1     -0.181 ppm2      0.663 CV     1
 ASSI { 1780}
   (( segid "UBI " and resid 2    and name HA  ))
   (( segid "UBI " and resid 2    and name HG2 ))
      4.000     2.000     2.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.23513E-03 ppm1      1.849 ppm2      5.267 CV     1
 ASSI { 1781}
   (( segid "UBI " and resid 3    and name HG12))
   (( segid "UBI " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      1.740 ppm2      0.811 CV     1
 ASSI { 1784}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 30   and name HA  ))
      3.400     1.400     1.400 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.67633E-03 ppm1      3.487 ppm2      2.327 CV     1
 ASSI { 1785}
   (( segid "UBI " and resid 56   and name HB1 ))
   (( segid "UBI " and resid 19   and name HA  ))
      3.900     1.900     1.900 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.59168E-03 ppm1      3.930 ppm2      1.251 CV     1
 ASSI { 1788}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 31   and name HB2 ))
      3.200     1.300     1.300 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      2.530 ppm2      4.195 CV     1
 ASSI { 1789}
   (  segid "UBI " and resid 59   and name HE% )
   (( segid "UBI " and resid 50   and name HA  ))
      3.600     1.700     1.700 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.38818E-03 ppm1      4.039 ppm2      0.267 CV     1
 ASSI { 1790}
   (( segid "UBI " and resid 40   and name HB1 ))
   (  segid "UBI " and resid 36   and name HG2%)
      2.800     1.000     1.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.19666E-02 ppm1      0.920 ppm2      2.426 CV     1
 OR { 1790}
   (( segid "UBI " and resid 40   and name HG2 ))
   (  segid "UBI " and resid 36   and name HG2%)
 OR { 1790}
   (( segid "UBI " and resid 40   and name HG1 ))
   (  segid "UBI " and resid 36   and name HG2%)
 ASSI { 1791}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 29   and name HB2 ))
      2.900     1.000     1.000 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.16416E-02 ppm1      2.097 ppm2      0.732 CV     1
 ASSI { 1792}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 29   and name HB1 ))
      2.700     0.900     0.900 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.27959E-02 ppm1      1.907 ppm2      0.730 CV     1
 ASSI { 1793}
   (( segid "UBI " and resid 3    and name HG11))
   (  segid "UBI " and resid 17   and name HG2%)
      3.700     1.700     1.700 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.95761E-03 ppm1      0.415 ppm2      1.018 CV     1
 ASSI {    1}
   (  segid "UBI " and resid 45   and name HD% )
   (  segid "UBI " and resid 45   and name HE% )
      1.800     0.400     0.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.26580E-01 ppm1      7.496 ppm2      7.346 CV     1
 ASSI {    3}
   (( segid "UBI " and resid 45   and name HA  ))
   (  segid "UBI " and resid 45   and name HE% )
      4.200     2.200     1.800 peak     3 spectrum    1 weight  0.10000E+01 volume  0.38643E-03 ppm1      7.496 ppm2      5.034 CV     1
 ASSI {    4}
   (( segid "UBI " and resid 45   and name HA  ))
   (  segid "UBI " and resid 45   and name HD% )
      2.700     0.900     0.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.22844E-02 ppm1      7.318 ppm2      5.034 CV     1
 ASSI {    5}
   (( segid "UBI " and resid 65   and name HB1 ))
   (  segid "UBI " and resid 45   and name HE% )
      3.400     1.500     1.500 peak     5 spectrum    1 weight  0.10000E+01 volume  0.69600E-03 ppm1      7.500 ppm2      3.870 CV     1
 ASSI {    6}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 45   and name HE% )
      4.000     2.000     2.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.43873E-03 ppm1      7.494 ppm2      3.085 CV     1
 ASSI {    7}
   (( segid "UBI " and resid 45   and name HB2 ))
   (  segid "UBI " and resid 45   and name HD% )
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15585E-02 ppm1      7.317 ppm2      3.070 CV     1
 ASSI {    8}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 45   and name HE% )
      4.700     2.800     1.300 peak     8 spectrum    1 weight  0.10000E+01 volume  0.22311E-03 ppm1      7.484 ppm2      2.724 CV     1
 ASSI {    9}
   (( segid "UBI " and resid 45   and name HB1 ))
   (  segid "UBI " and resid 45   and name HD% )
      2.800     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19748E-02 ppm1      7.321 ppm2      2.728 CV     1
 ASSI {   10}
   (  segid "UBI " and resid 46   and name HB% )
   (  segid "UBI " and resid 45   and name HD% )
      3.700     1.700     1.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.41418E-03 ppm1      7.322 ppm2      0.853 CV     1
 ASSI {   13}
   (( segid "UBI " and resid 14   and name HA  ))
   (  segid "UBI " and resid 4    and name HD% )
      3.300     1.300     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.84441E-03 ppm1      7.005 ppm2      4.912 CV     1
 ASSI {   16}
   (  segid "UBI " and resid 12   and name HG2%)
   (  segid "UBI " and resid 4    and name HD% )
      2.900     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.17934E-02 ppm1      7.006 ppm2      1.048 CV     1
 ASSI {   17}
   (  segid "UBI " and resid 59   and name HE% )
   (  segid "UBI " and resid 59   and name HD% )
      2.200     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.69493E-02 ppm1      7.178 ppm2      6.847 CV     1
 ASSI {   19}
   (( segid "UBI " and resid 56   and name HA  ))
   (  segid "UBI " and resid 59   and name HD% )
      3.500     1.500     1.500 peak    19 spectrum    1 weight  0.10000E+01 volume  0.62981E-03 ppm1      7.174 ppm2      4.017 CV     1
 ASSI {   22}
   (  segid "UBI " and resid 23   and name HD1%)
   (  segid "UBI " and resid 59   and name HD% )
      3.400     1.400     1.400 peak    22 spectrum    1 weight  0.10000E+01 volume  0.76646E-03 ppm1      7.179 ppm2      0.541 CV     1
 ASSI {   28}
   (( segid "UBI " and resid 64   and name HB1 ))
   (  segid "UBI " and resid 4    and name HE% )
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.27114E-03 ppm1      7.182 ppm2      2.492 CV     1
 ASSI {   29}
   (( segid "UBI " and resid 64   and name HG2 ))
   (  segid "UBI " and resid 4    and name HE% )
      3.600     1.600     1.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.54762E-03 ppm1      7.183 ppm2      2.227 CV     1
 OR {   29}
   (( segid "UBI " and resid 64   and name HG1 ))
   (  segid "UBI " and resid 4    and name HE% )
 ASSI {   33}
   (  segid "UBI " and resid 61   and name HD1%)
   (  segid "UBI " and resid 45   and name HD% )
      3.600     1.600     1.600 peak    33 spectrum    1 weight  0.10000E+01 volume  0.46969E-03 ppm1      7.320 ppm2      0.378 CV     1
 ASSI {   34}
   (( segid "UBI " and resid 67   and name HG  ))
   (  segid "UBI " and resid 45   and name HD% )
      4.200     2.200     1.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.22311E-03 ppm1      7.319 ppm2      1.730 CV     1
 ASSI {    1}
   (  segid "UIM " and resid 255  and name HD% )
   (  segid "UIM " and resid 255  and name HE% )
      2.400     0.700     0.700 peak     1 spectrum    1 weight  0.10000E+01 volume  0.50848E-02 ppm1      7.226 ppm2      6.895 CV     1
 ASSI {    3}
   (  segid "UIM " and resid 255  and name HD% )
   (( segid "UIM " and resid 256  and name HD1 ))
      4.600     2.600     1.400 peak     3 spectrum    1 weight  0.10000E+01 volume  0.33654E-03 ppm1      7.223 ppm2      3.790 CV     1
 ASSI {    4}
   (  segid "UIM " and resid 255  and name HD% )
   (( segid "UIM " and resid 256  and name HD2 ))
      3.900     1.900     1.900 peak     4 spectrum    1 weight  0.10000E+01 volume  0.50848E-03 ppm1      7.224 ppm2      3.552 CV     1
 ASSI {    5}
   (  segid "UIM " and resid 255  and name HD% )
   (( segid "UIM " and resid 255  and name HB2 ))
      3.100     1.200     1.200 peak     5 spectrum    1 weight  0.10000E+01 volume  0.21718E-02 ppm1      7.221 ppm2      3.323 CV     1
 ASSI {    6}
   (  segid "UIM " and resid 255  and name HD% )
   (( segid "UIM " and resid 255  and name HB1 ))
      2.600     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.30422E-02 ppm1      7.222 ppm2      2.975 CV     1
 ASSI {   10}
   (( segid "UIM " and resid 255  and name HA  ))
   (  segid "UIM " and resid 255  and name HD% )
      3.200     1.300     1.300 peak    10 spectrum    1 weight  0.10000E+01 volume  0.18400E-02 ppm1      4.455 ppm2      7.250 CV     1
 ASSI {   11}
   (( segid "UIM " and resid 255  and name HA  ))
   (( segid "UIM " and resid 256  and name HD1 ))
      2.400     0.700     0.700 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58604E-02 ppm1      4.458 ppm2      3.789 CV     1
 ASSI {   12}
   (( segid "UIM " and resid 255  and name HA  ))
   (( segid "UIM " and resid 256  and name HD2 ))
      2.900     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.24088E-02 ppm1      4.456 ppm2      3.548 CV     1
 ASSI {   13}
   (( segid "UIM " and resid 255  and name HA  ))
   (( segid "UIM " and resid 255  and name HB2 ))
      3.200     1.300     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.18744E-02 ppm1      4.453 ppm2      3.325 CV     1
 ASSI {   14}
   (( segid "UIM " and resid 255  and name HA  ))
   (( segid "UIM " and resid 255  and name HB1 ))
      2.600     0.900     0.900 peak    14 spectrum    1 weight  0.10000E+01 volume  0.35033E-02 ppm1      4.456 ppm2      2.976 CV     1
 ASSI {   20}
   (( segid "UIM " and resid 255  and name HB2 ))
   (( segid "UIM " and resid 255  and name HB1 ))
      2.100     0.500     0.500 peak    20 spectrum    1 weight  0.10000E+01 volume  0.87047E-02 ppm1      3.296 ppm2      2.975 CV     1
 ASSI {   23}
   (( segid "UIM " and resid 256  and name HD2 ))
   (( segid "UIM " and resid 256  and name HD1 ))
      1.900     0.500     0.500 peak    23 spectrum    1 weight  0.10000E+01 volume  0.12152E-01 ppm1      3.513 ppm2      3.790 CV     1
 ASSI {   27}
   (( segid "UIM " and resid 256  and name HD2 ))
   (( segid "UIM " and resid 256  and name HG1 ))
      3.200     1.300     1.300 peak    27 spectrum    1 weight  0.10000E+01 volume  0.23226E-02 ppm1      3.518 ppm2      2.083 CV     1
 ASSI {   29}
   (( segid "UIM " and resid 256  and name HD1 ))
   (( segid "UIM " and resid 256  and name HG2 ))
      3.100     1.200     1.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.33094E-02 ppm1      3.761 ppm2      2.011 CV     1
 ASSI {   34}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 258  and name HB1 ))
      2.400     0.700     0.700 peak    34 spectrum    1 weight  0.10000E+01 volume  0.87473E-02 ppm1      4.540 ppm2      2.748 CV     1
 OR {   34}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 258  and name HB2 ))
 ASSI {   40}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 261  and name HB2 ))
      2.300     0.700     0.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.77564E-02 ppm1      4.112 ppm2      2.063 CV     1
 ASSI {   41}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 261  and name HB1 ))
      2.700     0.900     0.900 peak    41 spectrum    1 weight  0.10000E+01 volume  0.59466E-02 ppm1      4.112 ppm2      2.122 CV     1
 ASSI {   42}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HB2 ))
      2.100     0.500     0.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.19865E-01 ppm1      4.133 ppm2      1.923 CV     1
 OR {   42}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HB1 ))
 ASSI {   43}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 261  and name HG1 ))
      2.700     0.900     0.900 peak    43 spectrum    1 weight  0.10000E+01 volume  0.41410E-02 ppm1      4.114 ppm2      2.301 CV     1
 OR {   43}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 261  and name HG2 ))
 ASSI {   46}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 264  and name HD2 ))
      3.300     1.300     1.300 peak    46 spectrum    1 weight  0.10000E+01 volume  0.12453E-02 ppm1      4.119 ppm2      3.202 CV     1
 OR {   46}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 264  and name HD1 ))
 ASSI {   63}
   (( segid "UIM " and resid 272  and name HB2 ))
   (( segid "UIM " and resid 272  and name HG2 ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.30940E-02 ppm1      1.930 ppm2      1.444 CV     1
 OR {   63}
   (( segid "UIM " and resid 272  and name HB1 ))
   (( segid "UIM " and resid 272  and name HG2 ))
 ASSI {   64}
   (( segid "UIM " and resid 272  and name HD1 ))
   (( segid "UIM " and resid 272  and name HG2 ))
      2.000     0.500     0.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.19089E-01 ppm1      1.671 ppm2      1.452 CV     1
 OR {   64}
   (( segid "UIM " and resid 272  and name HD2 ))
   (( segid "UIM " and resid 272  and name HG2 ))
 ASSI {   71}
   (( segid "UIM " and resid 271  and name HB1 ))
   (  segid "UIM " and resid 271  and name HD1%)
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.50417E-02 ppm1      1.535 ppm2      0.790 CV     1
 ASSI {   73}
   (( segid "UIM " and resid 262  and name HG  ))
   (  segid "UIM " and resid 262  and name HD1%)
      2.400     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.57742E-02 ppm1      1.732 ppm2      0.931 CV     1
 ASSI {   74}
   (( segid "UIM " and resid 262  and name HB1 ))
   (  segid "UIM " and resid 262  and name HD1%)
      2.600     0.900     0.900 peak    74 spectrum    1 weight  0.10000E+01 volume  0.36283E-02 ppm1      1.490 ppm2      0.927 CV     1
 ASSI {   75}
   (( segid "UIM " and resid 269  and name HG  ))
   (  segid "UIM " and resid 269  and name HD1%)
      2.300     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.83597E-02 ppm1      1.489 ppm2      0.866 CV     1
 OR {   75}
   (( segid "UIM " and resid 269  and name HG  ))
   (  segid "UIM " and resid 269  and name HD2%)
 ASSI {   76}
   (( segid "UIM " and resid 262  and name HB1 ))
   (( segid "UIM " and resid 262  and name HB2 ))
      1.600     0.300     0.600 peak    76 spectrum    1 weight  0.10000E+01 volume  0.31844E-01 ppm1      1.496 ppm2      1.909 CV     1
 ASSI {   78}
   (( segid "UIM " and resid 262  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD1%)
      2.500     0.800     0.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.65499E-02 ppm1      1.880 ppm2      0.923 CV     1
 ASSI {   82}
   (( segid "UIM " and resid 264  and name HG2 ))
   (( segid "UIM " and resid 264  and name HD1 ))
      2.400     0.700     0.700 peak    82 spectrum    1 weight  0.10000E+01 volume  0.63775E-02 ppm1      1.544 ppm2      3.204 CV     1
 OR {   82}
   (( segid "UIM " and resid 264  and name HG2 ))
   (( segid "UIM " and resid 264  and name HD2 ))
 ASSI {   91}
   (( segid "UIM " and resid 271  and name HB1 ))
   (( segid "UIM " and resid 271  and name HA  ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.40807E-02 ppm1      1.526 ppm2      4.220 CV     1
 ASSI {   92}
   (( segid "UIM " and resid 264  and name HG2 ))
   (( segid "UIM " and resid 264  and name HG1 ))
      1.600     0.300     0.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.33439E-01 ppm1      1.597 ppm2      1.783 CV     1
 ASSI {   93}
   (( segid "UIM " and resid 272  and name HG1 ))
   (( segid "UIM " and resid 272  and name HG2 ))
      1.500     0.300     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.59035E-01 ppm1      1.526 ppm2      1.454 CV     1
 ASSI {   96}
   (( segid "UIM " and resid 267  and name HG11))
   (( segid "UIM " and resid 267  and name HG12))
      1.800     0.400     0.400 peak    96 spectrum    1 weight  0.10000E+01 volume  0.15599E-01 ppm1      1.657 ppm2      0.996 CV     1
 ASSI {   99}
   (( segid "UIM " and resid 272  and name HD2 ))
   (( segid "UIM " and resid 272  and name HE2 ))
      2.600     0.800     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.47400E-02 ppm1      1.636 ppm2      2.946 CV     1
 OR {   99}
   (( segid "UIM " and resid 272  and name HD1 ))
   (( segid "UIM " and resid 272  and name HE1 ))
 OR {   99}
   (( segid "UIM " and resid 272  and name HD1 ))
   (( segid "UIM " and resid 272  and name HE2 ))
 OR {   99}
   (( segid "UIM " and resid 272  and name HD2 ))
   (( segid "UIM " and resid 272  and name HE1 ))
 ASSI {  113}
   (( segid "UIM " and resid 275  and name HG2 ))
   (( segid "UIM " and resid 275  and name HA  ))
      3.600     1.600     1.600 peak   113 spectrum    1 weight  0.10000E+01 volume  0.77564E-03 ppm1      1.652 ppm2      4.390 CV     1
 OR {  113}
   (( segid "UIM " and resid 275  and name HG1 ))
   (( segid "UIM " and resid 275  and name HA  ))
 ASSI {  118}
   (( segid "UIM " and resid 267  and name HB  ))
   (  segid "UIM " and resid 267  and name HD1%)
      2.600     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.60327E-02 ppm1      1.950 ppm2      0.779 CV     1
 ASSI {  120}
   (( segid "UIM " and resid 271  and name HG  ))
   (  segid "UIM " and resid 271  and name HD1%)
      2.100     0.600     0.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.11807E-01 ppm1      1.630 ppm2      0.784 CV     1
 ASSI {  122}
   (( segid "UIM " and resid 256  and name HB2 ))
   (( segid "UIM " and resid 256  and name HB1 ))
      1.800     0.400     0.400 peak   122 spectrum    1 weight  0.10000E+01 volume  0.17538E-01 ppm1      1.947 ppm2      2.367 CV     1
 ASSI {  125}
   (( segid "UIM " and resid 263  and name HG11))
   (( segid "UIM " and resid 263  and name HG12))
      1.500     0.300     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.21632E-01 ppm1      1.632 ppm2      1.072 CV     1
 ASSI {  127}
   (( segid "UIM " and resid 275  and name HG1 ))
   (( segid "UIM " and resid 275  and name HD2 ))
      2.900     1.000     1.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.25467E-02 ppm1      1.636 ppm2      3.197 CV     1
 OR {  127}
   (( segid "UIM " and resid 275  and name HG2 ))
   (( segid "UIM " and resid 275  and name HD1 ))
 OR {  127}
   (( segid "UIM " and resid 275  and name HG2 ))
   (( segid "UIM " and resid 275  and name HD2 ))
 OR {  127}
   (( segid "UIM " and resid 275  and name HG1 ))
   (( segid "UIM " and resid 275  and name HD1 ))
 ASSI {  129}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 262  and name HB2 ))
      2.500     0.800     0.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.77564E-02 ppm1      0.893 ppm2      1.910 CV     1
 OR {  129}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HB2 ))
 ASSI {  131}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 262  and name HG  ))
      2.200     0.600     0.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.12109E-01 ppm1      0.890 ppm2      1.743 CV     1
 OR {  131}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HG  ))
 ASSI {  133}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 271  and name HB1 ))
      2.100     0.600     0.600 peak   133 spectrum    1 weight  0.10000E+01 volume  0.12583E-01 ppm1      0.838 ppm2      1.555 CV     1
 ASSI {  137}
   (  segid "UIM " and resid 271  and name HD1%)
   (( segid "UIM " and resid 271  and name HB2 ))
      3.000     1.100     1.100 peak   137 spectrum    1 weight  0.10000E+01 volume  0.19693E-02 ppm1      0.759 ppm2      1.766 CV     1
 ASSI {  141}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 263  and name HB  ))
      2.700     0.900     0.900 peak   141 spectrum    1 weight  0.10000E+01 volume  0.36498E-02 ppm1      0.713 ppm2      1.960 CV     1
 ASSI {  142}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 263  and name HG11))
      2.200     0.600     0.600 peak   142 spectrum    1 weight  0.10000E+01 volume  0.67222E-02 ppm1      0.709 ppm2      1.658 CV     1
 ASSI {  143}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 271  and name HA  ))
      3.000     1.100     1.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.16116E-02 ppm1      0.840 ppm2      4.218 CV     1
 ASSI {  147}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HA  ))
      2.700     0.900     0.900 peak   147 spectrum    1 weight  0.10000E+01 volume  0.37016E-02 ppm1      0.894 ppm2      4.056 CV     1
 OR {  147}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 262  and name HA  ))
 ASSI {  153}
   (( segid "UIM " and resid 271  and name HA  ))
   (  segid "UIM " and resid 271  and name HD1%)
      2.900     1.100     1.100 peak   153 spectrum    1 weight  0.10000E+01 volume  0.96522E-02 ppm1      4.189 ppm2      0.788 CV     1
 ASSI {  159}
   (( segid "UIM " and resid 264  and name HA  ))
   (  segid "UIM " and resid 267  and name HD1%)
      2.800     1.000     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.32836E-02 ppm1      3.926 ppm2      0.781 CV     1
 ASSI {  160}
   (( segid "UIM " and resid 268  and name HA  ))
   (  segid "UIM " and resid 271  and name HD1%)
      3.100     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18960E-02 ppm1      4.018 ppm2      0.777 CV     1
 ASSI {  162}
   (( segid "UIM " and resid 263  and name HA  ))
   (  segid "UIM " and resid 263  and name HG2%)
      2.500     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.53003E-02 ppm1      3.680 ppm2      0.866 CV     1
 ASSI {  163}
   (( segid "UIM " and resid 267  and name HA  ))
   (  segid "UIM " and resid 267  and name HG2%)
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.39429E-02 ppm1      3.566 ppm2      0.863 CV     1
 ASSI {  164}
   (( segid "UIM " and resid 263  and name HA  ))
   (  segid "UIM " and resid 263  and name HD1%)
      3.700     1.700     1.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16935E-02 ppm1      3.676 ppm2      0.741 CV     1
 ASSI {  168}
   (( segid "UIM " and resid 267  and name HA  ))
   (  segid "UIM " and resid 267  and name HD1%)
      3.500     1.500     1.500 peak   168 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1      3.559 ppm2      0.781 CV     1
 ASSI {  169}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 267  and name HG12))
      3.500     1.500     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.56018E-03 ppm1      3.554 ppm2      0.992 CV     1
 ASSI {  173}
   (( segid "UIM " and resid 263  and name HA  ))
   (( segid "UIM " and resid 263  and name HG12))
      2.800     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      3.680 ppm2      1.071 CV     1
 ASSI {  174}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HG2 ))
      2.800     1.000     1.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.36671E-02 ppm1      4.138 ppm2      1.443 CV     1
 ASSI {  176}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 262  and name HB1 ))
      2.100     0.600     0.600 peak   176 spectrum    1 weight  0.10000E+01 volume  0.12927E-01 ppm1      4.028 ppm2      1.520 CV     1
 ASSI {  181}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HD2 ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.34516E-02 ppm1      4.139 ppm2      1.684 CV     1
 OR {  181}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HD1 ))
 ASSI {  184}
   (( segid "UIM " and resid 271  and name HA  ))
   (( segid "UIM " and resid 271  and name HB2 ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.49986E-02 ppm1      4.191 ppm2      1.774 CV     1
 ASSI {  185}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 264  and name HG1 ))
      3.000     1.200     1.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.27622E-02 ppm1      3.922 ppm2      1.750 CV     1
 ASSI {  187}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 264  and name HG2 ))
      2.900     1.000     1.000 peak   187 spectrum    1 weight  0.10000E+01 volume  0.32103E-02 ppm1      3.927 ppm2      1.579 CV     1
 ASSI {  188}
   (( segid "UIM " and resid 263  and name HA  ))
   (  segid "UIM " and resid 266  and name HB% )
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.31155E-02 ppm1      3.678 ppm2      1.427 CV     1
 ASSI {  189}
   (( segid "UIM " and resid 263  and name HA  ))
   (( segid "UIM " and resid 263  and name HG11))
      2.800     1.000     1.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.22106E-02 ppm1      3.679 ppm2      1.656 CV     1
 ASSI {  190}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 267  and name HG11))
      3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.29603E-02 ppm1      3.551 ppm2      1.683 CV     1
 ASSI {  191}
   (( segid "UIM " and resid 256  and name HA  ))
   (( segid "UIM " and resid 256  and name HB1 ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.52140E-02 ppm1      4.438 ppm2      2.364 CV     1
 ASSI {  193}
   (( segid "UIM " and resid 256  and name HA  ))
   (( segid "UIM " and resid 256  and name HB2 ))
      2.900     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.40807E-02 ppm1      4.440 ppm2      1.984 CV     1
 OR {  193}
   (( segid "UIM " and resid 256  and name HA  ))
   (( segid "UIM " and resid 256  and name HG2 ))
 ASSI {  196}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 270  and name HB2 ))
      2.300     0.700     0.700 peak   196 spectrum    1 weight  0.10000E+01 volume  0.86614E-02 ppm1      4.207 ppm2      3.986 CV     1
 ASSI {  200}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 275  and name HD1 ))
      3.900     1.900     1.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.68084E-03 ppm1      4.363 ppm2      3.196 CV     1
 OR {  200}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 275  and name HD2 ))
 ASSI {  201}
   (( segid "UIM " and resid 273  and name HA  ))
   (( segid "UIM " and resid 273  and name HG2 ))
      3.000     1.200     1.200 peak   201 spectrum    1 weight  0.10000E+01 volume  0.23873E-02 ppm1      4.243 ppm2      2.386 CV     1
 OR {  201}
   (( segid "UIM " and resid 273  and name HA  ))
   (( segid "UIM " and resid 273  and name HG1 ))
 ASSI {  202}
   (( segid "UIM " and resid 257  and name HA  ))
   (( segid "UIM " and resid 257  and name HG2 ))
      2.700     0.900     0.900 peak   202 spectrum    1 weight  0.10000E+01 volume  0.50848E-02 ppm1      4.243 ppm2      2.309 CV     1
 OR {  202}
   (( segid "UIM " and resid 257  and name HA  ))
   (( segid "UIM " and resid 257  and name HG1 ))
 ASSI {  203}
   (( segid "UIM " and resid 273  and name HA  ))
   (( segid "UIM " and resid 273  and name HB1 ))
      2.800     1.000     1.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.32965E-02 ppm1      4.258 ppm2      2.127 CV     1
 ASSI {  206}
   (( segid "UIM " and resid 274  and name HB1 ))
   (  segid "UIM " and resid 278  and name HB% )
      6.000     5.300     0.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.99113E-05 ppm1      3.828 ppm2      1.313 CV     1
 OR {  206}
   (( segid "UIM " and resid 274  and name HB2 ))
   (  segid "UIM " and resid 278  and name HB% )
 ASSI {  207}
   (( segid "UIM " and resid 270  and name HB1 ))
   (  segid "UIM " and resid 266  and name HB% )
      4.200     2.200     1.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.33826E-03 ppm1      3.825 ppm2      1.429 CV     1
 ASSI {  209}
   (( segid "UIM " and resid 269  and name HB1 ))
   (( segid "UIM " and resid 269  and name HA  ))
      2.400     0.700     0.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.62913E-02 ppm1      1.594 ppm2      4.102 CV     1
 OR {  209}
   (( segid "UIM " and resid 269  and name HB2 ))
   (( segid "UIM " and resid 269  and name HA  ))
 ASSI {  210}
   (( segid "UIM " and resid 267  and name HG11))
   (( segid "UIM " and resid 264  and name HA  ))
      3.300     1.300     1.300 peak   210 spectrum    1 weight  0.10000E+01 volume  0.79289E-03 ppm1      1.661 ppm2      3.936 CV     1
 ASSI {  211}
   (( segid "UIM " and resid 273  and name HB2 ))
   (( segid "UIM " and resid 273  and name HA  ))
      2.500     0.800     0.800 peak   211 spectrum    1 weight  0.10000E+01 volume  0.62482E-02 ppm1      2.041 ppm2      4.262 CV     1
 ASSI {  212}
   (( segid "UIM " and resid 272  and name HB1 ))
   (( segid "UIM " and resid 273  and name HA  ))
      3.700     1.700     1.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.75839E-03 ppm1      1.906 ppm2      4.282 CV     1
 OR {  212}
   (( segid "UIM " and resid 272  and name HB2 ))
   (( segid "UIM " and resid 273  and name HA  ))
 ASSI {  216}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 275  and name HB2 ))
      2.700     0.900     0.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.36541E-02 ppm1      4.358 ppm2      1.922 CV     1
 ASSI {  217}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 275  and name HB1 ))
      2.700     0.900     0.900 peak   217 spectrum    1 weight  0.10000E+01 volume  0.38222E-02 ppm1      4.361 ppm2      1.816 CV     1
 ASSI {  218}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 272  and name HD2 ))
      2.600     2.600     3.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.23183E-02 ppm1      4.360 ppm2      1.681 CV     1
 OR {  218}
   (( segid "UIM " and resid 275  and name HA  ))
   (( segid "UIM " and resid 272  and name HD1 ))
 ASSI {  222}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 258  and name HB1 ))
      4.300     2.300     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.28268E-03 ppm1      4.032 ppm2      2.753 CV     1
 OR {  222}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 258  and name HB2 ))
 ASSI {  224}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 268  and name HB2 ))
      2.300     0.700     0.700 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10773E-01 ppm1      3.962 ppm2      2.085 CV     1
 ASSI {  225}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 268  and name HB1 ))
      3.000     1.200     1.200 peak   225 spectrum    1 weight  0.10000E+01 volume  0.18099E-02 ppm1      3.963 ppm2      2.187 CV     1
 ASSI {  228}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 264  and name HB1 ))
      2.200     0.600     0.600 peak   228 spectrum    1 weight  0.10000E+01 volume  0.11290E-01 ppm1      3.923 ppm2      1.927 CV     1
 OR {  228}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 264  and name HB2 ))
 ASSI {  229}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 267  and name HB  ))
      2.200     0.600     0.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.82306E-02 ppm1      3.924 ppm2      1.982 CV     1
 ASSI {  237}
   (( segid "UIM " and resid 267  and name HB  ))
   (( segid "UIM " and resid 267  and name HG12))
      3.100     1.200     1.200 peak   237 spectrum    1 weight  0.10000E+01 volume  0.17409E-02 ppm1      1.957 ppm2      1.000 CV     1
 ASSI {  241}
   (( segid "UIM " and resid 263  and name HG12))
   (( segid "UIM " and resid 263  and name HB  ))
      3.100     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.18788E-02 ppm1      1.043 ppm2      1.957 CV     1
 ASSI {  244}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 259  and name HG1 ))
      3.100     1.200     1.200 peak   244 spectrum    1 weight  0.10000E+01 volume  0.14435E-02 ppm1      0.712 ppm2      2.276 CV     1
 OR {  244}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 259  and name HG2 ))
 ASSI {  249}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 260  and name HA  ))
      3.500     1.500     1.500 peak   249 spectrum    1 weight  0.10000E+01 volume  0.80581E-03 ppm1      0.754 ppm2      4.055 CV     1
 ASSI {  252}
   (( segid "UIM " and resid 261  and name HG1 ))
   (( segid "UIM " and resid 265  and name HG1 ))
      3.900     1.900     1.900 peak   252 spectrum    1 weight  0.10000E+01 volume  0.55588E-03 ppm1      2.285 ppm2      1.455 CV     1
 OR {  252}
   (( segid "UIM " and resid 261  and name HG2 ))
   (( segid "UIM " and resid 265  and name HG1 ))
 OR {  252}
   (( segid "UIM " and resid 261  and name HG1 ))
   (( segid "UIM " and resid 265  and name HG2 ))
 OR {  252}
   (( segid "UIM " and resid 261  and name HG2 ))
   (( segid "UIM " and resid 265  and name HG2 ))
 ASSI {  256}
   (( segid "UIM " and resid 268  and name HG2 ))
   (( segid "UIM " and resid 268  and name HB1 ))
      2.200     0.600     0.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.15125E-01 ppm1      2.357 ppm2      2.196 CV     1
 OR {  256}
   (( segid "UIM " and resid 268  and name HG1 ))
   (( segid "UIM " and resid 268  and name HB1 ))
 ASSI {  264}
   (( segid "UIM " and resid 256  and name HG1 ))
   (( segid "UIM " and resid 256  and name HD1 ))
      3.600     1.600     1.600 peak   264 spectrum    1 weight  0.10000E+01 volume  0.43522E-03 ppm1      2.045 ppm2      3.792 CV     1
 ASSI {  267}
   (( segid "UIM " and resid 256  and name HB2 ))
   (( segid "UIM " and resid 256  and name HA  ))
      4.100     2.100     1.900 peak   267 spectrum    1 weight  0.10000E+01 volume  0.53003E-03 ppm1      1.931 ppm2      4.466 CV     1
 ASSI {  268}
   (( segid "UIM " and resid 275  and name HB2 ))
   (( segid "UIM " and resid 274  and name HA  ))
      4.200     2.200     1.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.45246E-03 ppm1      1.891 ppm2      4.418 CV     1
 ASSI {  281}
   (( segid "UIM " and resid 264  and name HD2 ))
   (( segid "UIM " and resid 264  and name HG1 ))
      2.300     0.600     0.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.95231E-02 ppm1      3.175 ppm2      1.753 CV     1
 OR {  281}
   (( segid "UIM " and resid 264  and name HD1 ))
   (( segid "UIM " and resid 264  and name HG1 ))
 ASSI {  284}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 265  and name HD1 ))
      3.900     1.900     1.900 peak   284 spectrum    1 weight  0.10000E+01 volume  0.37834E-03 ppm1      2.945 ppm2      1.557 CV     1
 OR {  284}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HD2 ))
 OR {  284}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 265  and name HD2 ))
 OR {  284}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HD1 ))
 ASSI {  291}
   (( segid "UIM " and resid 257  and name HA  ))
   (( segid "UIM " and resid 257  and name HB1 ))
      2.400     0.700     0.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.61621E-02 ppm1      4.200 ppm2      1.998 CV     1
 ASSI {  292}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 261  and name HG2 ))
      3.100     1.200     1.200 peak   292 spectrum    1 weight  0.10000E+01 volume  0.81440E-03 ppm1      2.924 ppm2      2.305 CV     1
 OR {  292}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 261  and name HG2 ))
 OR {  292}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 261  and name HG1 ))
 OR {  292}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 261  and name HG1 ))
 ASSI {  296}
   (( segid "UIM " and resid 263  and name HA  ))
   (( segid "UIM " and resid 263  and name HB  ))
      3.000     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.14651E-02 ppm1      3.679 ppm2      1.960 CV     1
 ASSI {  298}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 268  and name HG2 ))
      2.700     0.900     0.900 peak   298 spectrum    1 weight  0.10000E+01 volume  0.41755E-02 ppm1      4.008 ppm2      2.360 CV     1
 OR {  298}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 268  and name HG1 ))
 ASSI {  301}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 259  and name HB2 ))
      3.700     1.700     1.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.59897E-03 ppm1      0.710 ppm2      2.091 CV     1
 OR {  301}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 259  and name HB1 ))
 ASSI {    1}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 258  and name HN  ))
      3.400     1.400     1.400 peak     1 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      8.752 ppm2      8.269 CV     1
 ASSI {    2}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 256  and name HA  ))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.54942E-02 ppm1      8.751 ppm2      4.452 CV     1
 ASSI {    3}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 257  and name HA  ))
      2.900     1.100     1.100 peak     3 spectrum    1 weight  0.10000E+01 volume  0.19703E-02 ppm1      8.748 ppm2      4.220 CV     1
 ASSI {    4}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 257  and name HG1 ))
      3.100     1.200     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.15797E-02 ppm1      8.751 ppm2      2.310 CV     1
 OR {    4}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 257  and name HG2 ))
 ASSI {    5}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 257  and name HB2 ))
      3.200     1.300     1.300 peak     5 spectrum    1 weight  0.10000E+01 volume  0.11370E-02 ppm1      8.751 ppm2      2.059 CV     1
 ASSI {    8}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 258  and name HA  ))
      3.000     1.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.19356E-02 ppm1      8.274 ppm2      4.561 CV     1
 ASSI {    9}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 257  and name HA  ))
      2.600     0.900     0.900 peak     9 spectrum    1 weight  0.10000E+01 volume  0.36455E-02 ppm1      8.272 ppm2      4.221 CV     1
 ASSI {   10}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 258  and name HB2 ))
      2.600     0.800     0.800 peak    10 spectrum    1 weight  0.10000E+01 volume  0.45308E-02 ppm1      8.272 ppm2      2.735 CV     1
 OR {   10}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 258  and name HB1 ))
 ASSI {   12}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 257  and name HB1 ))
      3.700     1.700     1.700 peak    12 spectrum    1 weight  0.10000E+01 volume  0.52513E-03 ppm1      8.273 ppm2      1.977 CV     1
 ASSI {   13}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 260  and name HN  ))
      2.600     0.800     0.800 peak    13 spectrum    1 weight  0.10000E+01 volume  0.39840E-02 ppm1      8.328 ppm2      8.025 CV     1
 ASSI {   14}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 258  and name HA  ))
      2.500     2.500     3.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.53467E-02 ppm1      8.330 ppm2      4.559 CV     1
 ASSI {   15}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 259  and name HA  ))
      2.400     0.700     0.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.69438E-02 ppm1      8.328 ppm2      4.031 CV     1
 ASSI {   17}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 259  and name HG2 ))
      2.900     1.000     1.000 peak    17 spectrum    1 weight  0.10000E+01 volume  0.30205E-02 ppm1      8.329 ppm2      2.285 CV     1
 OR {   17}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 259  and name HG1 ))
 ASSI {   18}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 259  and name HB1 ))
      2.000     0.500     0.500 peak    18 spectrum    1 weight  0.10000E+01 volume  0.17012E-01 ppm1      8.328 ppm2      2.071 CV     1
 OR {   18}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 259  and name HB2 ))
 ASSI {   21}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 261  and name HA  ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.32983E-02 ppm1      8.026 ppm2      4.128 CV     1
 ASSI {   26}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HN  ))
      2.400     0.700     0.700 peak    26 spectrum    1 weight  0.10000E+01 volume  0.64577E-02 ppm1      7.816 ppm2      8.025 CV     1
 ASSI {   27}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 263  and name HN  ))
      2.400     0.700     0.700 peak    27 spectrum    1 weight  0.10000E+01 volume  0.57720E-02 ppm1      7.816 ppm2      7.957 CV     1
 ASSI {   30}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HB1 ))
      3.000     1.200     1.200 peak    30 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      7.817 ppm2      2.106 CV     1
 ASSI {   36}
   (( segid "UIM " and resid 262  and name HN  ))
   (  segid "UIM " and resid 262  and name HD1%)
      4.100     2.100     1.900 peak    36 spectrum    1 weight  0.10000E+01 volume  0.46783E-03 ppm1      7.818 ppm2      0.910 CV     1
 ASSI {   38}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HG2 ))
      4.300     2.300     1.700 peak    38 spectrum    1 weight  0.10000E+01 volume  0.28556E-03 ppm1      7.817 ppm2      2.289 CV     1
 OR {   38}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HG1 ))
 ASSI {   39}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HG2 ))
      3.300     1.300     1.300 peak    39 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      7.996 ppm2      1.577 CV     1
 ASSI {   40}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HG1 ))
      3.100     1.200     1.200 peak    40 spectrum    1 weight  0.10000E+01 volume  0.16839E-02 ppm1      8.002 ppm2      1.742 CV     1
 ASSI {   42}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HD2 ))
      4.700     2.700     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.22481E-03 ppm1      8.001 ppm2      3.190 CV     1
 OR {   42}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HD1 ))
 ASSI {   43}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HA  ))
      2.500     0.800     0.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.45655E-02 ppm1      8.002 ppm2      3.936 CV     1
 ASSI {   45}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 263  and name HA  ))
      2.500     0.800     0.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.35327E-02 ppm1      7.959 ppm2      3.697 CV     1
 ASSI {   46}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 263  and name HB  ))
      2.000     0.500     0.500 peak    46 spectrum    1 weight  0.10000E+01 volume  0.12759E-01 ppm1      7.960 ppm2      1.936 CV     1
 ASSI {   47}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 263  and name HG11))
      2.300     2.300     3.700 peak    47 spectrum    1 weight  0.10000E+01 volume  0.49995E-02 ppm1      7.958 ppm2      1.646 CV     1
 ASSI {   48}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 263  and name HG12))
      3.300     1.400     1.400 peak    48 spectrum    1 weight  0.10000E+01 volume  0.19790E-02 ppm1      7.961 ppm2      1.062 CV     1
 ASSI {   50}
   (( segid "UIM " and resid 263  and name HN  ))
   (  segid "UIM " and resid 263  and name HD1%)
      3.900     1.900     1.900 peak    50 spectrum    1 weight  0.10000E+01 volume  0.76638E-03 ppm1      7.957 ppm2      0.732 CV     1
 ASSI {   57}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 264  and name HA  ))
      3.100     1.200     1.200 peak    57 spectrum    1 weight  0.10000E+01 volume  0.14322E-02 ppm1      8.196 ppm2      3.941 CV     1
 ASSI {   58}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HB2 ))
      2.100     0.500     0.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.14322E-01 ppm1      8.198 ppm2      1.894 CV     1
 OR {   58}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HB1 ))
 ASSI {   60}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HG1 ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.80372E-03 ppm1      8.197 ppm2      1.427 CV     1
 OR {   60}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HG2 ))
 ASSI {   63}
   (( segid "UIM " and resid 266  and name HN  ))
   (  segid "UIM " and resid 266  and name HB% )
      2.200     0.600     0.600 peak    63 spectrum    1 weight  0.10000E+01 volume  0.87667E-02 ppm1      7.984 ppm2      1.411 CV     1
 ASSI {   66}
   (( segid "UIM " and resid 267  and name HN  ))
   (( segid "UIM " and resid 267  and name HB  ))
      2.900     1.000     1.000 peak    66 spectrum    1 weight  0.10000E+01 volume  0.18054E-02 ppm1      8.409 ppm2      1.974 CV     1
 ASSI {   67}
   (( segid "UIM " and resid 267  and name HN  ))
   (( segid "UIM " and resid 267  and name HG11))
      4.100     2.100     1.900 peak    67 spectrum    1 weight  0.10000E+01 volume  0.23262E-03 ppm1      8.415 ppm2      1.680 CV     1
 ASSI {   68}
   (( segid "UIM " and resid 267  and name HN  ))
   (  segid "UIM " and resid 266  and name HB% )
      3.500     1.500     1.500 peak    68 spectrum    1 weight  0.10000E+01 volume  0.61539E-03 ppm1      8.422 ppm2      1.407 CV     1
 ASSI {   69}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 267  and name HN  ))
      3.200     1.300     1.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10329E-02 ppm1      7.985 ppm2      8.399 CV     1
 ASSI {   70}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 267  and name HN  ))
      3.100     1.200     1.200 peak    70 spectrum    1 weight  0.10000E+01 volume  0.12325E-02 ppm1      8.093 ppm2      8.401 CV     1
 ASSI {   71}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 274  and name HA  ))
      2.900     1.100     1.100 peak    71 spectrum    1 weight  0.10000E+01 volume  0.20831E-02 ppm1      8.089 ppm2      4.455 CV     1
 ASSI {   75}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 267  and name HB  ))
      2.200     0.600     0.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.79677E-02 ppm1      8.094 ppm2      1.974 CV     1
 ASSI {   78}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 268  and name HA  ))
      2.500     2.500     3.500 peak    78 spectrum    1 weight  0.10000E+01 volume  0.61105E-02 ppm1      8.161 ppm2      3.988 CV     1
 ASSI {   79}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 268  and name HB2 ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.49735E-02 ppm1      8.162 ppm2      2.072 CV     1
 ASSI {   81}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HG  ))
      2.600     0.800     0.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.31507E-02 ppm1      8.162 ppm2      1.476 CV     1
 ASSI {   82}
   (( segid "UIM " and resid 269  and name HN  ))
   (  segid "UIM " and resid 269  and name HD2%)
      4.000     2.000     2.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.65358E-03 ppm1      8.162 ppm2      0.855 CV     1
 OR {   82}
   (( segid "UIM " and resid 269  and name HN  ))
   (  segid "UIM " and resid 269  and name HD1%)
 ASSI {   95}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 271  and name HG  ))
      2.600     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.33330E-02 ppm1      7.785 ppm2      1.605 CV     1
 ASSI {   97}
   (( segid "UIM " and resid 271  and name HN  ))
   (  segid "UIM " and resid 271  and name HD1%)
      4.400     2.400     1.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.42097E-03 ppm1      7.781 ppm2      0.769 CV     1
 ASSI {  101}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 272  and name HB1 ))
      2.400     0.700     0.700 peak   101 spectrum    1 weight  0.10000E+01 volume  0.59369E-02 ppm1      8.081 ppm2      1.906 CV     1
 OR {  101}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 272  and name HB2 ))
 ASSI {  105}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 275  and name HA  ))
      2.800     1.000     1.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.26213E-02 ppm1      8.152 ppm2      4.379 CV     1
 ASSI {  106}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 275  and name HB2 ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.26126E-02 ppm1      8.151 ppm2      1.902 CV     1
 ASSI {  107}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 275  and name HB1 ))
      2.900     1.000     1.000 peak   107 spectrum    1 weight  0.10000E+01 volume  0.28035E-02 ppm1      8.150 ppm2      1.797 CV     1
 ASSI {  108}
   (( segid "UIM " and resid 276  and name HN  ))
   (( segid "UIM " and resid 276  and name HB1 ))
      3.700     1.700     1.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.55984E-03 ppm1      8.347 ppm2      2.874 CV     1
 ASSI {  110}
   (( segid "UIM " and resid 276  and name HN  ))
   (( segid "UIM " and resid 275  and name HA  ))
      2.900     1.000     1.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.22134E-02 ppm1      8.349 ppm2      4.378 CV     1
 ASSI {  115}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 257  and name HB1 ))
      3.100     1.200     1.200 peak   115 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      8.327 ppm2      1.984 CV     1
 ASSI {  116}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 262  and name HB1 ))
      3.600     1.600     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.64925E-03 ppm1      7.959 ppm2      1.508 CV     1
 ASSI {  132}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 270  and name HB1 ))
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.27601E-03 ppm1      7.783 ppm2      3.851 CV     1
assi {    1 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
    ((resid  267 and name HG2# and segid UIM  ) 
  or (resid  271 and name HD*  and segid UIM  ))  
     1.50 1.50 1.50
assi {    2 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
    ((resid  267 and name HG2# and segid UIM  ) 
  or (resid  271 and name HD*  and segid UIM  ))  
     1.50 1.50 1.50
assi {    3 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
     (resid  271 and name HG   and segid UIM  ) 
     2.00 2.00 2.00
assi {    4 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
     (resid  271 and name HG   and segid UIM  ) 
     1.50 1.50 1.50
assi {    5 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     1.50 1.50 1.50
assi {    6 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  262 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {    7 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  263 and name HG1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   11 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
    ((resid  262 and name HA   and segid UIM  ) 
  or (resid  266 and name HA   and segid UIM  ))  
     2.00 2.00 2.00
assi {   12 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
    ((resid  262 and name HA   and segid UIM  ) 
  or (resid  266 and name HA   and segid UIM  ))  
     2.00 2.00 2.00
assi {   13 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
    ((resid  265 and name HB#  and segid UIM  ) 
  or (resid  262 and name HB#  and segid UIM  ))  
     2.00 2.00 2.00
assi {   14 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  262 and name HG   and segid UIM  ) 
     2.00 2.00 2.00
assi {   16 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   17 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  262 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   18 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  262 and name HG   and segid UIM  ) 
     2.00 2.00 2.00
assi {   19 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  262 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   20 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  263 and name HG1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   21 ncubvu1sfnoe.xpk }
     (resid   68 and name HB#  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   22 ncubvu1sfnoe.xpk }
     (resid   68 and name HB#  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   23 ncubvu1sfnoe.xpk }
     (resid   48 and name HA   and segid UBI  ) 
     (resid  267 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   24 ncubvu1sfnoe.xpk }
     (resid   46 and name HA   and segid UBI  ) 
     (resid  271 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   26 ncubvu1sfnoe.xpk }
     (resid   73 and name HD*  and segid UBI  ) 
     (resid  259 and name HG#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   27 ncubvu1sfnoe.xpk }
     (resid   73 and name HD*  and segid UBI  ) 
     (resid  259 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   28 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  267 and name HG1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   29 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   30 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  267 and name HG1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   31 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   32 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   33 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  267 and name HA   and segid UIM  ) 
     2.00 2.00 2.00
assi {   34 ncubvu1sfnoe.xpk }
     (resid   44 and name HB   and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   35 ncubvu1sfnoe.xpk }
     (resid   44 and name HD1# and segid UBI  ) 
     (resid  267 and name HG1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   36 ncubvu1sfnoe.xpk }
     (resid   44 and name HD1# and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     1.50 1.50 1.50
assi {   38 ncubvu1sfnoe.xpk }
     (resid   44 and name HD1# and segid UBI  ) 
     (resid  263 and name HG2# and segid UIM  ) 
     1.50 1.50 1.50
assi {   39 ncubvu1sfnoe.xpk }
     (resid   44 and name HD1# and segid UBI  ) 
     (resid  267 and name HD1# and segid UIM  ) 
     1.50 1.50 1.50
assi {   40 ncubvu1sfnoe.xpk }
     (resid   68 and name HD2  and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   41 ncubvu1sfnoe.xpk }
     (resid   68 and name HD2  and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   42 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   43 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  262 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   44 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   45 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   46 ncubvu1sfnoe.xpk }
     (resid   46 and name HA   and segid UBI  ) 
    ((resid  270 and name HB#  and segid UIM  ) 
  or (resid  274 and name HB#  and segid UIM  ))  
     2.00 2.00 2.00
assi {   47 ncubvu1sfnoe.xpk }
     (resid   46 and name HA   and segid UBI  ) 
    ((resid  270 and name HA   and segid UIM  ) 
  or (resid  271 and name HA   and segid UIM  ))  
     2.00 2.00 2.00
assi {   48 ncubvu1sfnoe.xpk }
     (resid    8 and name HA   and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   49 ncubvu1sfnoe.xpk }
     (resid   45 and name HA   and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   50 ncubvu1sfnoe.xpk }
     (resid   45 and name HA   and segid UBI  ) 
     (resid  270 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   51 ncubvu1sfnoe.xpk }
     (resid   70 and name HB   and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   52 ncubvu1sfnoe.xpk }
     (resid   72 and name HA   and segid UBI  ) 
     (resid  259 and name HG#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   53 ncubvu1sfnoe.xpk }
     (resid   42 and name HB#  and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   54 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  263 and name HB   and segid UIM  ) 
     2.50 2.50 2.50
assi {   55 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  262 and name HG   and segid UIM  ) 
     2.50 2.50 2.50
assi {   57 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
     (resid  271 and name HD*  and segid UIM  ) 
     1.50 1.50 1.50
assi {   58 ncubvu1sfnoe.xpk }
     (resid   47 and name HA#  and segid UBI  ) 
     (resid  271 and name HD*  and segid UIM  ) 
     1.50 1.50 1.50
assi {   59 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  265 and name HE#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   60 ncubvu1sfnoe.xpk }
     (resid   42 and name HB#  and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.50 2.50 2.50
assi {   61 ncubvu1sfnoe.xpk }
     (resid   44 and name HG1# and segid UBI  ) 
     (resid  263 and name HG2# and segid UIM  ) 
     2.00 2.00 2.00
assi {   62 ncubvu1sfnoe.xpk }
     (resid   44 and name HG1# and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   63 ncubvu1sfnoe.xpk }
     (resid   44 and name HG1# and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   64 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  267 and name HG2# and segid UIM  ) 
     2.00 2.00 2.00
assi {   65 ncubvu1sfnoe.xpk }
     (resid   73 and name HD*  and segid UBI  ) 
     (resid  259 and name HA   and segid UIM  ) 
     2.50 2.50 2.50
assi {   66 ncubvu1sfnoe.xpk }
     (resid   68 and name HE1  and segid UBI  ) 
     (resid  269 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   67 ncubvu1sfnoe.xpk }
     (resid   68 and name HE1  and segid UBI  ) 
     (resid  269 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   70 ncubvu1sfnoe.xpk }
     (resid   42 and name HD#  and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   71 ncubvu1sfnoe.xpk }
     (resid   42 and name HD#  and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   72 ncubvu1sfnoe.xpk }
     (resid   44 and name HG2# and segid UBI  ) 
     (resid  267 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   74 ncubvu1sfnoe.xpk }
     (resid    8 and name HB#  and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.00 2.00 2.00
assi {   75 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  259 and name HG#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   77 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  263 and name HB   and segid UIM  ) 
     1.50 1.50 1.50
assi {   79 ncubvu1sfnoe.xpk }
     (resid   46 and name HB#  and segid UBI  ) 
     (resid  274 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   80 ncubvu1sfnoe.xpk }
     (resid   42 and name HD#  and segid UBI  ) 
     (resid  263 and name HG1# and segid UIM  ) 
     2.50 2.50 2.50
assi {   81 ncubvu1sfnoe.xpk }
     (resid   42 and name HD#  and segid UBI  ) 
     (resid  263 and name HG1# and segid UIM  ) 
     2.50 2.50 2.50
assi {   83 ncubvu1sfnoe.xpk }
     (resid    8 and name HG   and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.50 2.50 2.50
assi {   87 ncubvu1sfnoe.xpk }
     (resid    8 and name HB#  and segid UBI  ) 
     (resid  262 and name HD*  and segid UIM  ) 
     2.50 2.50 2.50
assi {   88 ncubvu1sfnoe.xpk }
     (resid    8 and name HD*  and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.00 2.00 2.00
assi {   89 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  259 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
assi {   90 ncubvu1sfnoe.xpk }
     (resid   70 and name HG*  and segid UBI  ) 
     (resid  259 and name HA   and segid UIM  ) 
     2.00 2.00 2.00
assi {   94 ncubvu1sfnoe.xpk }
     (resid   42 and name HG#  and segid UBI  ) 
     (resid  263 and name HD1# and segid UIM  ) 
     2.00 2.00 2.00
assi {   98 ncubvu1sfnoe.xpk }
     (resid    8 and name HG   and segid UBI  ) 
     (resid  266 and name HB#  and segid UIM  ) 
     2.50 2.50 2.50
 ASSI {    6}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 2    and name HN  ))
      3.000     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.18951E-02 ppm1      8.934 ppm2      2.188 CV     1
 OR {    6}
   (( segid "UBI " and resid 1    and name HB1 ))
   (( segid "UBI " and resid 2    and name HN  ))
 ASSI {   11}
   (( segid "UBI " and resid 17   and name HN  ))
   (( segid "UBI " and resid 3    and name HN  ))
      3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.58400E-03 ppm1      8.285 ppm2      8.933 CV     1
 OR {   11}
   (( segid "UBI " and resid 2    and name HN  ))
   (( segid "UBI " and resid 3    and name HN  ))
 ASSI {   17}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 3    and name HN  ))
      4.100     2.100     1.900 peak    17 spectrum    1 weight  0.10000E+01 volume  0.48764E-03 ppm1      8.287 ppm2      2.199 CV     1
 OR {   17}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 3    and name HN  ))
 ASSI {   25}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 3    and name HN  ))
      3.500     1.500     1.500 peak    25 spectrum    1 weight  0.10000E+01 volume  0.85262E-03 ppm1      8.289 ppm2      0.680 CV     1
 OR {   25}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 3    and name HN  ))
 OR {   25}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 3    and name HN  ))
 ASSI {   28}
   (( segid "UBI " and resid 5    and name HN  ))
   (( segid "UBI " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.68913E-03 ppm1      8.580 ppm2      9.290 CV     1
 OR {   28}
   (( segid "UBI " and resid 19   and name HN  ))
   (( segid "UBI " and resid 18   and name HN  ))
 OR {   28}
   (( segid "UBI " and resid 64   and name HN  ))
   (( segid "UBI " and resid 4    and name HN  ))
 ASSI {   41}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.87308E-02 ppm1      8.582 ppm2      2.313 CV     1
 OR {   41}
   (( segid "UBI " and resid 17   and name HB  ))
   (( segid "UBI " and resid 18   and name HN  ))
 ASSI {   45}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 4    and name HN  ))
      3.400     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.94902E-03 ppm1      8.581 ppm2      1.013 CV     1
 OR {   45}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 4    and name HN  ))
 ASSI {   48}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.24791E-02 ppm1      8.581 ppm2      0.666 CV     1
 OR {   48}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 4    and name HN  ))
 ASSI {   58}
   (( segid "UBI " and resid 13   and name HG12))
   (( segid "UBI " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      9.306 ppm2      1.408 CV     1
 OR {   58}
   (( segid "UBI " and resid 15   and name HG  ))
   (( segid "UBI " and resid 5    and name HN  ))
 ASSI {   59}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 5    and name HN  ))
      3.300     1.300     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12469E-02 ppm1      9.305 ppm2      1.042 CV     1
 OR {   59}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 5    and name HN  ))
 ASSI {   60}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.37960E-03 ppm1      9.308 ppm2      0.842 CV     1
 OR {   60}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 5    and name HN  ))
 ASSI {   75}
   (( segid "UBI " and resid 7    and name HA  ))
   (( segid "UBI " and resid 7    and name HN  ))
      2.900     1.000     1.000 peak    75 spectrum    1 weight  0.10000E+01 volume  0.23535E-02 ppm1      8.704 ppm2      5.002 CV     1
 OR {   75}
   (( segid "UBI " and resid 12   and name HA  ))
   (( segid "UBI " and resid 7    and name HN  ))
 ASSI {   81}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 7    and name HN  ))
      3.700     1.800     1.800 peak    81 spectrum    1 weight  0.10000E+01 volume  0.28996E-03 ppm1      8.707 ppm2      1.043 CV     1
 OR {   81}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 7    and name HN  ))
 OR {   81}
   (  segid "UBI " and resid 8    and name HD1%)
   (( segid "UBI " and resid 7    and name HN  ))
 ASSI {  109}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 10   and name HN  ))
      5.000     3.200     1.000 peak   109 spectrum    1 weight  0.10000E+01 volume  0.12702E-03 ppm1      7.784 ppm2      1.785 CV     1
 OR {  109}
   (( segid "UBI " and resid 8    and name HB2 ))
   (( segid "UBI " and resid 10   and name HN  ))
 ASSI {  111}
   (( segid "UBI " and resid 6    and name HD1 ))
   (( segid "UBI " and resid 10   and name HN  ))
      4.700     2.800     1.300 peak   111 spectrum    1 weight  0.10000E+01 volume  0.11738E-03 ppm1      7.787 ppm2      1.549 CV     1
 OR {  111}
   (( segid "UBI " and resid 6    and name HD2 ))
   (( segid "UBI " and resid 10   and name HN  ))
 OR {  111}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 10   and name HN  ))
 ASSI {  116}
   (( segid "UBI " and resid 11   and name HA  ))
   (( segid "UBI " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.36500E-02 ppm1      7.311 ppm2      4.328 CV     1
 OR {  116}
   (( segid "UBI " and resid 10   and name HA2 ))
   (( segid "UBI " and resid 11   and name HN  ))
 ASSI {  121}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   121 spectrum    1 weight  0.10000E+01 volume  0.81469E-03 ppm1      7.311 ppm2      1.217 CV     1
 OR {  121}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 11   and name HN  ))
 ASSI {  129}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 12   and name HN  ))
      3.500     1.500     1.500 peak   129 spectrum    1 weight  0.10000E+01 volume  0.95193E-03 ppm1      8.638 ppm2      1.196 CV     1
 OR {  129}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 23   and name HN  ))
 ASSI {  138}
   (  segid "UBI " and resid 7    and name HG2%)
   (( segid "UBI " and resid 13   and name HN  ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.38544E-03 ppm1      9.582 ppm2      1.154 CV     1
 OR {  138}
   (( segid "UBI " and resid 15   and name HB2 ))
   (( segid "UBI " and resid 13   and name HN  ))
 ASSI {  139}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 13   and name HN  ))
      2.900     1.100     1.100 peak   139 spectrum    1 weight  0.10000E+01 volume  0.23185E-02 ppm1      9.580 ppm2      1.041 CV     1
 OR {  139}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 13   and name HN  ))
 ASSI {  141}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 13   and name HN  ))
      3.600     1.600     1.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.94021E-03 ppm1      9.580 ppm2      0.676 CV     1
 OR {  141}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 13   and name HN  ))
 OR {  141}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 13   and name HN  ))
 ASSI {  148}
   (  segid "UBI " and resid 14   and name HG2%)
   (( segid "UBI " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak   148 spectrum    1 weight  0.10000E+01 volume  0.15856E-02 ppm1      8.742 ppm2      1.079 CV     1
 OR {  148}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 14   and name HN  ))
 ASSI {  157}
   (( segid "UBI " and resid 2    and name HG1 ))
   (( segid "UBI " and resid 15   and name HN  ))
      4.400     2.400     1.600 peak   157 spectrum    1 weight  0.10000E+01 volume  0.21053E-03 ppm1      8.693 ppm2      2.205 CV     1
 OR {  157}
   (( segid "UBI " and resid 16   and name HG2 ))
   (( segid "UBI " and resid 15   and name HN  ))
 ASSI {  162}
   (( segid "UBI " and resid 3    and name HG12))
   (( segid "UBI " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   162 spectrum    1 weight  0.10000E+01 volume  0.80297E-03 ppm1      8.695 ppm2      0.751 CV     1
 OR {  162}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 15   and name HN  ))
 ASSI {  163}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak   163 spectrum    1 weight  0.10000E+01 volume  0.12498E-02 ppm1      8.694 ppm2      0.679 CV     1
 OR {  163}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 15   and name HN  ))
 ASSI {  173}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 16   and name HN  ))
      2.900     1.000     1.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.34164E-02 ppm1      8.102 ppm2      0.704 CV     1
 OR {  173}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 26   and name HN  ))
 ASSI {  205}
   (  segid "UBI " and resid 56   and name HD2%)
   (( segid "UBI " and resid 20   and name HN  ))
      4.600     2.700     1.400 peak   205 spectrum    1 weight  0.10000E+01 volume  0.11300E-03 ppm1      7.280 ppm2      0.704 CV     1
 OR {  205}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 20   and name HN  ))
 ASSI {  218}
   (( segid "UBI " and resid 18   and name HG1 ))
   (( segid "UBI " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak   218 spectrum    1 weight  0.10000E+01 volume  0.40880E-03 ppm1      7.847 ppm2      2.311 CV     1
 OR {  218}
   (( segid "UBI " and resid 17   and name HB  ))
   (( segid "UBI " and resid 21   and name HN  ))
 ASSI {  222}
   (  segid "UBI " and resid 56   and name HD2%)
   (( segid "UBI " and resid 21   and name HN  ))
      3.400     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.72417E-03 ppm1      7.845 ppm2      0.703 CV     1
 OR {  222}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 21   and name HN  ))
 ASSI {  229}
   (( segid "UBI " and resid 25   and name HA  ))
   (( segid "UBI " and resid 22   and name HN  ))
      4.400     2.400     1.600 peak   229 spectrum    1 weight  0.10000E+01 volume  0.23419E-03 ppm1      7.972 ppm2      4.460 CV     1
 OR {  229}
   (( segid "UBI " and resid 55   and name HB  ))
   (( segid "UBI " and resid 22   and name HN  ))
 ASSI {  237}
   (( segid "UBI " and resid 25   and name HN  ))
   (( segid "UBI " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak   237 spectrum    1 weight  0.10000E+01 volume  0.22396E-03 ppm1      8.677 ppm2      7.989 CV     1
 OR {  237}
   (( segid "UBI " and resid 22   and name HN  ))
   (( segid "UBI " and resid 23   and name HN  ))
 ASSI {  246}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 23   and name HN  ))
      3.700     1.700     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      8.676 ppm2      1.255 CV     1
 OR {  246}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 23   and name HN  ))
 ASSI {  261}
   (( segid "UBI " and resid 21   and name HA  ))
   (( segid "UBI " and resid 25   and name HN  ))
      5.600     3.900     0.400 peak   261 spectrum    1 weight  0.10000E+01 volume  0.72417E-04 ppm1      8.013 ppm2      4.635 CV     1
 OR {  261}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 25   and name HN  ))
 ASSI {  282}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak   282 spectrum    1 weight  0.10000E+01 volume  0.26339E-02 ppm1      8.118 ppm2      0.658 CV     1
 OR {  282}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 26   and name HN  ))
 OR {  282}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 26   and name HN  ))
 ASSI {  283}
   (( segid "UBI " and resid 28   and name HN  ))
   (( segid "UBI " and resid 27   and name HN  ))
      2.500     0.800     0.800 peak   283 spectrum    1 weight  0.10000E+01 volume  0.44968E-02 ppm1      8.537 ppm2      8.133 CV     1
 OR {  283}
   (( segid "UBI " and resid 26   and name HN  ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  284}
   (( segid "UBI " and resid 25   and name HN  ))
   (( segid "UBI " and resid 27   and name HN  ))
      3.400     1.500     1.500 peak   284 spectrum    1 weight  0.10000E+01 volume  0.86144E-03 ppm1      8.538 ppm2      8.006 CV     1
 OR {  284}
   (( segid "UBI " and resid 29   and name HN  ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  290}
   (( segid "UBI " and resid 27   and name HE1 ))
   (( segid "UBI " and resid 27   and name HN  ))
      4.400     2.500     1.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.26047E-03 ppm1      8.536 ppm2      2.593 CV     1
 OR {  290}
   (( segid "UBI " and resid 24   and name HB1 ))
   (( segid "UBI " and resid 27   and name HN  ))
 OR {  290}
   (( segid "UBI " and resid 24   and name HB2 ))
   (( segid "UBI " and resid 27   and name HN  ))
 ASSI {  307}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 28   and name HN  ))
      4.700     2.800     1.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.19652E-03 ppm1      8.149 ppm2      2.310 CV     1
 OR {  307}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  312}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 28   and name HN  ))
      4.500     2.500     1.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.23331E-03 ppm1      8.145 ppm2      0.730 CV     1
 OR {  312}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  313}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 28   and name HN  ))
      4.800     2.900     1.200 peak   313 spectrum    1 weight  0.10000E+01 volume  0.15943E-03 ppm1      8.149 ppm2      0.661 CV     1
 OR {  313}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 28   and name HN  ))
 OR {  313}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 28   and name HN  ))
 OR {  313}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 28   and name HN  ))
 ASSI {  317}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak   317 spectrum    1 weight  0.10000E+01 volume  0.34748E-02 ppm1      7.998 ppm2      4.175 CV     1
 OR {  317}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 29   and name HN  ))
 ASSI {  320}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 29   and name HN  ))
      4.400     2.400     1.600 peak   320 spectrum    1 weight  0.10000E+01 volume  0.30660E-03 ppm1      8.001 ppm2      2.311 CV     1
 OR {  320}
   (( segid "UBI " and resid 26   and name HB  ))
   (( segid "UBI " and resid 29   and name HN  ))
 ASSI {  325}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.90810E-03 ppm1      7.997 ppm2      1.396 CV     1
 OR {  325}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 29   and name HN  ))
 ASSI {  326}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 29   and name HN  ))
      3.700     1.700     1.700 peak   326 spectrum    1 weight  0.10000E+01 volume  0.90810E-03 ppm1      7.998 ppm2      0.661 CV     1
 OR {  326}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 29   and name HN  ))
 OR {  326}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 29   and name HN  ))
 OR {  326}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 29   and name HN  ))
 ASSI {  328}
   (( segid "UBI " and resid 28   and name HN  ))
   (( segid "UBI " and resid 30   and name HN  ))
      3.400     1.400     1.400 peak   328 spectrum    1 weight  0.10000E+01 volume  0.98986E-03 ppm1      8.327 ppm2      8.146 CV     1
 OR {  328}
   (( segid "UBI " and resid 32   and name HN  ))
   (( segid "UBI " and resid 30   and name HN  ))
 ASSI {  338}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 30   and name HN  ))
      3.900     1.900     1.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.69205E-03 ppm1      8.328 ppm2      1.714 CV     1
 OR {  338}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 30   and name HN  ))
 ASSI {  339}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 30   and name HN  ))
      4.500     2.500     1.500 peak   339 spectrum    1 weight  0.10000E+01 volume  0.31828E-03 ppm1      8.324 ppm2      1.561 CV     1
 OR {  339}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 30   and name HN  ))
 ASSI {  340}
   (( segid "UBI " and resid 15   and name HG  ))
   (( segid "UBI " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   340 spectrum    1 weight  0.10000E+01 volume  0.27594E-03 ppm1      8.325 ppm2      1.380 CV     1
 OR {  340}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 30   and name HN  ))
 ASSI {  342}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 30   and name HN  ))
      2.800     1.000     1.000 peak   342 spectrum    1 weight  0.10000E+01 volume  0.44384E-02 ppm1      8.325 ppm2      0.663 CV     1
 OR {  342}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 30   and name HN  ))
 OR {  342}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 30   and name HN  ))
 ASSI {  349}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 31   and name HN  ))
      3.200     1.200     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.13578E-02 ppm1      8.470 ppm2      4.176 CV     1
 OR {  349}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 31   and name HN  ))
 ASSI {  355}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 31   and name HN  ))
      4.400     2.500     1.600 peak   355 spectrum    1 weight  0.10000E+01 volume  0.25317E-03 ppm1      8.471 ppm2      1.577 CV     1
 OR {  355}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 31   and name HN  ))
 OR {  355}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 31   and name HN  ))
 OR {  355}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 31   and name HN  ))
 OR {  355}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 31   and name HN  ))
 ASSI {  361}
   (( segid "UBI " and resid 32   and name HA  ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.500     0.800     0.800 peak   361 spectrum    1 weight  0.10000E+01 volume  0.44676E-02 ppm1      8.130 ppm2      4.288 CV     1
 OR {  361}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 52   and name HN  ))
 ASSI {  362}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.800     1.000     1.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.28879E-02 ppm1      8.130 ppm2      4.178 CV     1
 OR {  362}
   (( segid "UBI " and resid 28   and name HA  ))
   (( segid "UBI " and resid 32   and name HN  ))
 ASSI {  370}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 32   and name HN  ))
      2.900     1.100     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.17374E-02 ppm1      8.131 ppm2      1.961 CV     1
 OR {  370}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 52   and name HN  ))
 ASSI {  371}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 52   and name HN  ))
      4.400     2.400     1.600 peak   371 spectrum    1 weight  0.10000E+01 volume  0.23360E-03 ppm1      8.134 ppm2      1.558 CV     1
 OR {  371}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 32   and name HN  ))
 OR {  371}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 32   and name HN  ))
 OR {  371}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 52   and name HN  ))
 OR {  371}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 32   and name HN  ))
 ASSI {  375}
   (( segid "UBI " and resid 33   and name HA  ))
   (( segid "UBI " and resid 33   and name HN  ))
      2.700     0.900     0.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.36208E-02 ppm1      7.456 ppm2      4.277 CV     1
 OR {  375}
   (( segid "UBI " and resid 32   and name HA  ))
   (( segid "UBI " and resid 33   and name HN  ))
 ASSI {  383}
   (( segid "UBI " and resid 33   and name HD1 ))
   (( segid "UBI " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak   383 spectrum    1 weight  0.10000E+01 volume  0.92565E-03 ppm1      7.457 ppm2      1.677 CV     1
 OR {  383}
   (( segid "UBI " and resid 34   and name HB2 ))
   (( segid "UBI " and resid 33   and name HN  ))
 OR {  383}
   (( segid "UBI " and resid 33   and name HD2 ))
   (( segid "UBI " and resid 33   and name HN  ))
 ASSI {  385}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.68621E-03 ppm1      7.456 ppm2      0.681 CV     1
 OR {  385}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 33   and name HN  ))
 OR {  385}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 33   and name HN  ))
 ASSI {  396}
   (( segid "UBI " and resid 33   and name HB1 ))
   (( segid "UBI " and resid 34   and name HN  ))
      2.600     0.900     0.900 peak   396 spectrum    1 weight  0.10000E+01 volume  0.28908E-02 ppm1      8.695 ppm2      2.001 CV     1
 OR {  396}
   (( segid "UBI " and resid 34   and name HG2 ))
   (( segid "UBI " and resid 34   and name HN  ))
 ASSI {  404}
   (( segid "UBI " and resid 32   and name HA  ))
   (( segid "UBI " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak   404 spectrum    1 weight  0.10000E+01 volume  0.45552E-03 ppm1      8.524 ppm2      4.283 CV     1
 OR {  404}
   (( segid "UBI " and resid 33   and name HA  ))
   (( segid "UBI " and resid 35   and name HN  ))
 ASSI {  409}
   (( segid "UBI " and resid 33   and name HB1 ))
   (( segid "UBI " and resid 35   and name HN  ))
      4.200     2.200     1.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.46720E-03 ppm1      8.519 ppm2      1.995 CV     1
 OR {  409}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 35   and name HN  ))
 ASSI {  421}
   (( segid "UBI " and resid 31   and name HG1 ))
   (( segid "UBI " and resid 36   and name HN  ))
      3.400     1.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.88772E-03 ppm1      6.138 ppm2      2.246 CV     1
 OR {  421}
   (( segid "UBI " and resid 34   and name HB1 ))
   (( segid "UBI " and resid 36   and name HN  ))
 ASSI {  422}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 36   and name HN  ))
      4.100     2.100     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.72417E-03 ppm1      6.137 ppm2      1.972 CV     1
 OR {  422}
   (( segid "UBI " and resid 37   and name HG1 ))
   (( segid "UBI " and resid 36   and name HN  ))
 ASSI {  438}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak   438 spectrum    1 weight  0.10000E+01 volume  0.98695E-03 ppm1      8.501 ppm2      2.382 CV     1
 OR {  438}
   (( segid "UBI " and resid 40   and name HB1 ))
   (( segid "UBI " and resid 39   and name HN  ))
 ASSI {  441}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 39   and name HN  ))
      2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.38836E-02 ppm1      8.501 ppm2      1.979 CV     1
 OR {  441}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 39   and name HN  ))
 ASSI {  445}
   (( segid "UBI " and resid 40   and name HA  ))
   (( segid "UBI " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   445 spectrum    1 weight  0.10000E+01 volume  0.30953E-02 ppm1      7.816 ppm2      4.386 CV     1
 OR {  445}
   (( segid "UBI " and resid 39   and name HA  ))
   (( segid "UBI " and resid 40   and name HN  ))
 ASSI {  446}
   (( segid "UBI " and resid 41   and name HA  ))
   (( segid "UBI " and resid 40   and name HN  ))
      4.300     2.300     1.700 peak   446 spectrum    1 weight  0.10000E+01 volume  0.38252E-03 ppm1      7.816 ppm2      4.208 CV     1
 OR {  446}
   (( segid "UBI " and resid 37   and name HD1 ))
   (( segid "UBI " and resid 40   and name HN  ))
 ASSI {  452}
   (( segid "UBI " and resid 40   and name HB1 ))
   (( segid "UBI " and resid 40   and name HN  ))
      2.700     0.900     0.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.48472E-02 ppm1      7.817 ppm2      2.392 CV     1
 OR {  452}
   (( segid "UBI " and resid 40   and name HG1 ))
   (( segid "UBI " and resid 40   and name HN  ))
 OR {  452}
   (( segid "UBI " and resid 37   and name HB1 ))
   (( segid "UBI " and resid 40   and name HN  ))
 ASSI {  466}
   (( segid "UBI " and resid 23   and name HG12))
   (( segid "UBI " and resid 51   and name HN  ))
      4.000     2.000     2.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.52560E-03 ppm1      8.388 ppm2      1.812 CV     1
 OR {  466}
   (( segid "UBI " and resid 54   and name HG1 ))
   (( segid "UBI " and resid 51   and name HN  ))
 ASSI {  472}
   (( segid "UBI " and resid 40   and name HA  ))
   (( segid "UBI " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak   472 spectrum    1 weight  0.10000E+01 volume  0.17812E-02 ppm1      7.475 ppm2      4.388 CV     1
 OR {  472}
   (( segid "UBI " and resid 39   and name HA  ))
   (( segid "UBI " and resid 41   and name HN  ))
 ASSI {  477}
   (( segid "UBI " and resid 40   and name HB2 ))
   (( segid "UBI " and resid 41   and name HN  ))
      2.700     0.900     0.900 peak   477 spectrum    1 weight  0.10000E+01 volume  0.47597E-02 ppm1      7.475 ppm2      1.832 CV     1
 OR {  477}
   (( segid "UBI " and resid 41   and name HB2 ))
   (( segid "UBI " and resid 41   and name HN  ))
 ASSI {  481}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 41   and name HN  ))
      3.600     1.700     1.700 peak   481 spectrum    1 weight  0.10000E+01 volume  0.57232E-03 ppm1      7.473 ppm2      0.810 CV     1
 OR {  481}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 41   and name HN  ))
 ASSI {  487}
   (( segid "UBI " and resid 42   and name HB1 ))
   (( segid "UBI " and resid 43   and name HN  ))
      3.500     1.600     1.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.86726E-03 ppm1      8.784 ppm2      1.708 CV     1
 OR {  487}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 43   and name HN  ))
 ASSI {  488}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 43   and name HN  ))
      2.900     1.000     1.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.31244E-02 ppm1      8.786 ppm2      1.432 CV     1
 OR {  488}
   (( segid "UBI " and resid 42   and name HG2 ))
   (( segid "UBI " and resid 43   and name HN  ))
 OR {  488}
   (( segid "UBI " and resid 42   and name HG1 ))
   (( segid "UBI " and resid 43   and name HN  ))
 ASSI {  489}
   (( segid "UBI " and resid 43   and name HB1 ))
   (( segid "UBI " and resid 43   and name HN  ))
      2.800     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.46720E-02 ppm1      8.784 ppm2      1.533 CV     1
 OR {  489}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 43   and name HN  ))
 ASSI {  492}
   (( segid "UBI " and resid 45   and name HN  ))
   (( segid "UBI " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   492 spectrum    1 weight  0.10000E+01 volume  0.49932E-03 ppm1      9.151 ppm2      8.795 CV     1
 OR {  492}
   (( segid "UBI " and resid 43   and name HN  ))
   (( segid "UBI " and resid 44   and name HN  ))
 ASSI {  499}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   499 spectrum    1 weight  0.10000E+01 volume  0.42924E-03 ppm1      9.149 ppm2      1.425 CV     1
 OR {  499}
   (( segid "UBI " and resid 50   and name HG  ))
   (( segid "UBI " and resid 44   and name HN  ))
 ASSI {  501}
   (( segid "UBI " and resid 44   and name HG12))
   (( segid "UBI " and resid 44   and name HN  ))
      3.600     1.600     1.600 peak   501 spectrum    1 weight  0.10000E+01 volume  0.12702E-02 ppm1      9.156 ppm2      1.107 CV     1
 OR {  501}
   (( segid "UBI " and resid 43   and name HB2 ))
   (( segid "UBI " and resid 44   and name HN  ))
 ASSI {  511}
   (( segid "UBI " and resid 50   and name HG  ))
   (( segid "UBI " and resid 45   and name HN  ))
      3.400     1.400     1.400 peak   511 spectrum    1 weight  0.10000E+01 volume  0.10045E-02 ppm1      8.800 ppm2      1.438 CV     1
 OR {  511}
   (( segid "UBI " and resid 48   and name HG1 ))
   (( segid "UBI " and resid 45   and name HN  ))
 OR {  511}
   (( segid "UBI " and resid 48   and name HG2 ))
   (( segid "UBI " and resid 45   and name HN  ))
 ASSI {  549}
   (( segid "UBI " and resid 45   and name HN  ))
   (( segid "UBI " and resid 50   and name HN  ))
      3.500     1.500     1.500 peak   549 spectrum    1 weight  0.10000E+01 volume  0.10161E-02 ppm1      8.573 ppm2      8.791 CV     1
 OR {  549}
   (( segid "UBI " and resid 43   and name HN  ))
   (( segid "UBI " and resid 50   and name HN  ))
 ASSI {  564}
   (( segid "UBI " and resid 52   and name HB1 ))
   (( segid "UBI " and resid 52   and name HN  ))
      2.600     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.52852E-02 ppm1      8.099 ppm2      2.446 CV     1
 OR {  564}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 52   and name HN  ))
 ASSI {  565}
   (( segid "UBI " and resid 51   and name HG1 ))
   (( segid "UBI " and resid 52   and name HN  ))
      3.900     1.900     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.81761E-03 ppm1      8.100 ppm2      2.317 CV     1
 OR {  565}
   (( segid "UBI " and resid 30   and name HB  ))
   (( segid "UBI " and resid 32   and name HN  ))
 ASSI {  583}
   (( segid "UBI " and resid 23   and name HG11))
   (( segid "UBI " and resid 54   and name HN  ))
      4.100     2.100     1.900 peak   583 spectrum    1 weight  0.10000E+01 volume  0.43801E-03 ppm1      7.366 ppm2      1.261 CV     1
 OR {  583}
   (  segid "UBI " and resid 22   and name HG2%)
   (( segid "UBI " and resid 54   and name HN  ))
 ASSI {  595}
   (( segid "UBI " and resid 54   and name HG1 ))
   (( segid "UBI " and resid 55   and name HN  ))
      4.000     2.000     2.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.45552E-03 ppm1      8.809 ppm2      1.800 CV     1
 OR {  595}
   (( segid "UBI " and resid 23   and name HG12))
   (( segid "UBI " and resid 55   and name HN  ))
 ASSI {  625}
   (( segid "UBI " and resid 60   and name HN  ))
   (( segid "UBI " and resid 58   and name HN  ))
      3.300     1.400     1.400 peak   625 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      7.905 ppm2      8.149 CV     1
 OR {  625}
   (( segid "UBI " and resid 56   and name HN  ))
   (( segid "UBI " and resid 58   and name HN  ))
 ASSI {  630}
   (( segid "UBI " and resid 58   and name HA  ))
   (( segid "UBI " and resid 58   and name HN  ))
      2.800     0.900     0.900 peak   630 spectrum    1 weight  0.10000E+01 volume  0.29784E-02 ppm1      7.906 ppm2      4.236 CV     1
 OR {  630}
   (( segid "UBI " and resid 57   and name HA  ))
   (( segid "UBI " and resid 58   and name HN  ))
 ASSI {  641}
   (( segid "UBI " and resid 58   and name HA  ))
   (( segid "UBI " and resid 59   and name HN  ))
      3.000     1.100     1.100 peak   641 spectrum    1 weight  0.10000E+01 volume  0.16236E-02 ppm1      7.215 ppm2      4.233 CV     1
 OR {  641}
   (( segid "UBI " and resid 57   and name HA  ))
   (( segid "UBI " and resid 59   and name HN  ))
 ASSI {  648}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 59   and name HN  ))
      4.500     2.600     1.500 peak   648 spectrum    1 weight  0.10000E+01 volume  0.23711E-03 ppm1      7.217 ppm2      0.564 CV     1
 OR {  648}
   (  segid "UBI " and resid 56   and name HD1%)
   (( segid "UBI " and resid 59   and name HN  ))
 ASSI {  654}
   (( segid "UBI " and resid 57   and name HA  ))
   (( segid "UBI " and resid 60   and name HN  ))
      2.700     0.900     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.33580E-02 ppm1      8.138 ppm2      4.219 CV     1
 OR {  654}
   (( segid "UBI " and resid 58   and name HA  ))
   (( segid "UBI " and resid 60   and name HN  ))
 ASSI {  673}
   (  segid "UBI " and resid 56   and name HD1%)
   (( segid "UBI " and resid 61   and name HN  ))
      4.500     2.500     1.500 peak   673 spectrum    1 weight  0.10000E+01 volume  0.26455E-03 ppm1      7.281 ppm2      0.576 CV     1
 OR {  673}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 61   and name HN  ))
 OR {  673}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 61   and name HN  ))
 ASSI {  676}
   (( segid "UBI " and resid 61   and name HN  ))
   (( segid "UBI " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak   676 spectrum    1 weight  0.10000E+01 volume  0.43801E-03 ppm1      7.650 ppm2      7.295 CV     1
 OR {  676}
   (  segid "UBI " and resid 45   and name HD% )
   (( segid "UBI " and resid 62   and name HN  ))
 ASSI {  695}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 63   and name HN  ))
      2.600     0.800     0.800 peak   695 spectrum    1 weight  0.10000E+01 volume  0.54312E-02 ppm1      8.441 ppm2      1.854 CV     1
 OR {  695}
   (( segid "UBI " and resid 62   and name HB2 ))
   (( segid "UBI " and resid 63   and name HN  ))
 ASSI {  705}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 64   and name HN  ))
      3.400     1.400     1.400 peak   705 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      9.302 ppm2      2.004 CV     1
 OR {  705}
   (( segid "UBI " and resid 1    and name HG1 ))
   (( segid "UBI " and resid 64   and name HN  ))
 ASSI {  719}
   (( segid "UBI " and resid 64   and name HG1 ))
   (( segid "UBI " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.36208E-03 ppm1      7.703 ppm2      2.217 CV     1
 OR {  719}
   (( segid "UBI " and resid 64   and name HG2 ))
   (( segid "UBI " and resid 65   and name HN  ))
 OR {  719}
   (( segid "UBI " and resid 62   and name HB1 ))
   (( segid "UBI " and resid 65   and name HN  ))
 OR {  719}
   (( segid "UBI " and resid 62   and name HG1 ))
   (( segid "UBI " and resid 65   and name HN  ))
 ASSI {  720}
   (( segid "UBI " and resid 62   and name HB2 ))
   (( segid "UBI " and resid 65   and name HN  ))
      4.800     2.900     1.200 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13607E-03 ppm1      7.701 ppm2      1.864 CV     1
 OR {  720}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 65   and name HN  ))
 OR {  720}
   (( segid "UBI " and resid 2    and name HB2 ))
   (( segid "UBI " and resid 65   and name HN  ))
 ASSI {  752}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 68   and name HN  ))
      3.200     1.300     1.300 peak   752 spectrum    1 weight  0.10000E+01 volume  0.11914E-02 ppm1      9.237 ppm2      0.643 CV     1
 OR {  752}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 68   and name HN  ))
 OR {  752}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 68   and name HN  ))
 OR {  752}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 68   and name HN  ))
 ASSI {  753}
   (( segid "UBI " and resid 8    and name HN  ))
   (( segid "UBI " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      8.336 ppm2      9.236 CV     1
 OR {  753}
   (( segid "UBI " and resid 68   and name HN  ))
   (( segid "UBI " and resid 69   and name HN  ))
 ASSI {  754}
   (( segid "UBI " and resid 70   and name HN  ))
   (( segid "UBI " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   754 spectrum    1 weight  0.10000E+01 volume  0.51685E-03 ppm1      8.336 ppm2      9.165 CV     1
 OR {  754}
   (( segid "UBI " and resid 44   and name HN  ))
   (( segid "UBI " and resid 69   and name HN  ))
 ASSI {  756}
   (( segid "UBI " and resid 43   and name HA  ))
   (( segid "UBI " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      8.336 ppm2      5.323 CV     1
 OR {  756}
   (( segid "UBI " and resid 6    and name HA  ))
   (( segid "UBI " and resid 69   and name HN  ))
 ASSI {  762}
   (( segid "UBI " and resid 69   and name HG  ))
   (( segid "UBI " and resid 69   and name HN  ))
      3.600     1.600     1.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.89354E-03 ppm1      8.338 ppm2      1.264 CV     1
 OR {  762}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 69   and name HN  ))
 OR {  762}
   (( segid "UBI " and resid 6    and name HB2 ))
   (( segid "UBI " and resid 69   and name HN  ))
 ASSI {  766}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 69   and name HN  ))
      3.200     1.300     1.300 peak   766 spectrum    1 weight  0.10000E+01 volume  0.19184E-02 ppm1      8.340 ppm2      0.659 CV     1
 OR {  766}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 69   and name HN  ))
 ASSI {  772}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 70   and name HN  ))
      3.700     1.700     1.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.58400E-03 ppm1      9.163 ppm2      1.527 CV     1
 OR {  772}
   (( segid "UBI " and resid 69   and name HB1 ))
   (( segid "UBI " and resid 70   and name HN  ))
 ASSI {  776}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 70   and name HN  ))
      2.700     0.900     0.900 peak   776 spectrum    1 weight  0.10000E+01 volume  0.40004E-02 ppm1      9.158 ppm2      0.797 CV     1
 OR {  776}
   (  segid "UBI " and resid 70   and name HG1%)
   (( segid "UBI " and resid 70   and name HN  ))
 ASSI {  777}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 70   and name HN  ))
      3.500     1.600     1.600 peak   777 spectrum    1 weight  0.10000E+01 volume  0.87891E-03 ppm1      9.160 ppm2      0.668 CV     1
 OR {  777}
   (  segid "UBI " and resid 44   and name HD1%)
   (( segid "UBI " and resid 70   and name HN  ))
 ASSI {  785}
   (( segid "UBI " and resid 72   and name HB1 ))
   (( segid "UBI " and resid 72   and name HN  ))
      2.400     0.700     0.700 peak   785 spectrum    1 weight  0.10000E+01 volume  0.67160E-02 ppm1      8.569 ppm2      1.495 CV     1
 OR {  785}
   (( segid "UBI " and resid 71   and name HB2 ))
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  786}
   (  segid "UBI " and resid 71   and name HD2%)
   (( segid "UBI " and resid 72   and name HN  ))
      3.500     1.500     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.56065E-03 ppm1      8.570 ppm2      0.914 CV     1
 OR {  786}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 72   and name HN  ))
 OR {  786}
   (  segid "UBI " and resid 70   and name HG2%)
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  787}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak   787 spectrum    1 weight  0.10000E+01 volume  0.91983E-03 ppm1      8.570 ppm2      0.816 CV     1
 OR {  787}
   (  segid "UBI " and resid 70   and name HG1%)
   (( segid "UBI " and resid 72   and name HN  ))
 OR {  787}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 72   and name HN  ))
 ASSI {  790}
   (( segid "UBI " and resid 73   and name HG  ))
   (( segid "UBI " and resid 73   and name HN  ))
      3.300     1.300     1.300 peak   790 spectrum    1 weight  0.10000E+01 volume  0.11709E-02 ppm1      8.430 ppm2      1.756 CV     1
 OR {  790}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 73   and name HN  ))
 ASSI {  792}
   (( segid "UBI " and resid 73   and name HB1 ))
   (( segid "UBI " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak   792 spectrum    1 weight  0.10000E+01 volume  0.41756E-02 ppm1      8.431 ppm2      1.520 CV     1
 OR {  792}
   (( segid "UBI " and resid 72   and name HG1 ))
   (( segid "UBI " and resid 73   and name HN  ))
 OR {  792}
   (( segid "UBI " and resid 72   and name HB1 ))
   (( segid "UBI " and resid 73   and name HN  ))
 ASSI {  797}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HN  ))
      3.000     1.100     1.100 peak   797 spectrum    1 weight  0.10000E+01 volume  0.22951E-02 ppm1      8.416 ppm2      1.621 CV     1
 OR {  797}
   (( segid "UBI " and resid 73   and name HB2 ))
   (( segid "UBI " and resid 74   and name HN  ))
 OR {  797}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 74   and name HN  ))
 ASSI {  818}
   (( segid "UBI " and resid 70   and name HB  ))
   (( segid "UBI " and resid 71   and name HN  ))
      3.400     1.400     1.400 peak   818 spectrum    1 weight  0.10000E+01 volume  0.12527E-02 ppm1      8.123 ppm2      1.883 CV     1
 OR {  818}
   (( segid "UBI " and resid 8    and name HG  ))
   (( segid "UBI " and resid 71   and name HN  ))
 ASSI {  822}
   (  segid "UBI " and resid 71   and name HD2%)
   (( segid "UBI " and resid 71   and name HN  ))
      2.800     1.000     1.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.32412E-02 ppm1      8.124 ppm2      0.898 CV     1
 OR {  822}
   (  segid "UBI " and resid 70   and name HG2%)
   (( segid "UBI " and resid 71   and name HN  ))
 ASSI {  823}
   (  segid "UBI " and resid 70   and name HG1%)
   (( segid "UBI " and resid 71   and name HN  ))
      2.900     1.100     1.100 peak   823 spectrum    1 weight  0.10000E+01 volume  0.20294E-02 ppm1      8.123 ppm2      0.808 CV     1
 OR {  823}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 71   and name HN  ))
 ASSI {  840}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 26   and name HN  ))
      4.400     2.400     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.32120E-03 ppm1      8.116 ppm2      0.559 CV     1
 OR {  840}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 26   and name HN  ))
 ASSI {  853}
   (( segid "UBI " and resid 48   and name HN  ))
   (( segid "UBI " and resid 49   and name HN  ))
      4.600     2.700     1.400 peak   853 spectrum    1 weight  0.10000E+01 volume  0.20090E-03 ppm1      8.629 ppm2      7.952 CV     1
 OR {  853}
   (( segid "UBI " and resid 22   and name HN  ))
   (( segid "UBI " and resid 23   and name HN  ))
 ASSI {  859}
   (( segid "UBI " and resid 3    and name HB  ))
   (( segid "UBI " and resid 64   and name HN  ))
      4.100     2.100     1.900 peak   859 spectrum    1 weight  0.10000E+01 volume  0.49640E-03 ppm1      9.298 ppm2      1.694 CV     1
 OR {  859}
   (( segid "UBI " and resid 63   and name HD2 ))
   (( segid "UBI " and resid 64   and name HN  ))
 OR {  859}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 64   and name HN  ))
 OR {  859}
   (( segid "UBI " and resid 63   and name HD1 ))
   (( segid "UBI " and resid 64   and name HN  ))
 ASSI {  861}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 65   and name HN  ))
      4.700     2.700     1.300 peak   861 spectrum    1 weight  0.10000E+01 volume  0.20353E-03 ppm1      7.696 ppm2      1.997 CV     1
 OR {  861}
   (( segid "UBI " and resid 1    and name HG1 ))
   (( segid "UBI " and resid 65   and name HN  ))
 ASSI {  872}
   (( segid "UBI " and resid 27   and name HA  ))
   (( segid "UBI " and resid 41   and name HE21))
      3.900     1.900     1.900 peak   872 spectrum    1 weight  0.10000E+01 volume  0.41172E-03 ppm1      6.067 ppm2      4.617 CV     1
 OR {  872}
   (( segid "UBI " and resid 37   and name HA  ))
   (( segid "UBI " and resid 41   and name HE21))
 ASSI {  875}
   (( segid "UBI " and resid 41   and name HG1 ))
   (( segid "UBI " and resid 41   and name HE22))
      3.400     1.400     1.400 peak   875 spectrum    1 weight  0.10000E+01 volume  0.11680E-02 ppm1      6.473 ppm2      2.486 CV     1
 OR {  875}
   (( segid "UBI " and resid 31   and name HB2 ))
   (( segid "UBI " and resid 41   and name HE22))
 ASSI {  879}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 41   and name HE22))
      3.900     1.900     1.900 peak   879 spectrum    1 weight  0.10000E+01 volume  0.71832E-03 ppm1      6.470 ppm2      1.966 CV     1
 OR {  879}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 41   and name HE22))
 ASSI {  880}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 41   and name HE21))
      4.300     2.300     1.700 peak   880 spectrum    1 weight  0.10000E+01 volume  0.42340E-03 ppm1      6.066 ppm2      1.964 CV     1
 OR {  880}
   (( segid "UBI " and resid 31   and name HB1 ))
   (( segid "UBI " and resid 41   and name HE21))
 OR {  880}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 41   and name HE21))
 ASSI {  885}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 41   and name HE22))
      4.100     2.100     1.900 peak   885 spectrum    1 weight  0.10000E+01 volume  0.40588E-03 ppm1      6.473 ppm2      0.898 CV     1
 OR {  885}
   (  segid "UBI " and resid 36   and name HG2%)
   (( segid "UBI " and resid 41   and name HE22))
 ASSI {    7}
   (( segid "UBI " and resid 48   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD1%)
      3.000     1.100     1.100 peak     7 spectrum    1 weight  0.10000E+01 volume  0.17528E-02 ppm1     -0.183 ppm2      1.848 CV     1
 OR {    7}
   (( segid "UBI " and resid 23   and name HG12))
   (  segid "UBI " and resid 50   and name HD1%)
 OR {    7}
   (( segid "UBI " and resid 48   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD1%)
 ASSI {   11}
   (  segid "UBI " and resid 45   and name HD% )
   (  segid "UBI " and resid 50   and name HD1%)
      3.200     1.300     1.300 peak    11 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1     -0.180 ppm2      0.751 CV     1
 OR {   11}
   (  segid "UBI " and resid 43   and name HD1%)
   (  segid "UBI " and resid 50   and name HD1%)
 OR {   11}
   (  segid "UBI " and resid 43   and name HD2%)
   (  segid "UBI " and resid 50   and name HD1%)
 ASSI {   12}
   (  segid "UBI " and resid 59   and name HD% )
   (  segid "UBI " and resid 50   and name HD1%)
      2.800     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.19324E-02 ppm1     -0.180 ppm2      0.603 CV     1
 OR {   12}
   (  segid "UBI " and resid 67   and name HD1%)
   (  segid "UBI " and resid 50   and name HD1%)
 ASSI {   20}
   (  segid "UBI " and resid 1    and name HE% )
   (  segid "UBI " and resid 17   and name HG2%)
      2.900     1.000     1.000 peak    20 spectrum    1 weight  0.10000E+01 volume  0.22060E-02 ppm1      0.410 ppm2      1.658 CV     1
 OR {   20}
   (( segid "UBI " and resid 56   and name HG  ))
   (  segid "UBI " and resid 17   and name HG2%)
 ASSI {   31}
   (( segid "UBI " and resid 40   and name HB2 ))
   (  segid "UBI " and resid 36   and name HG2%)
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.22488E-02 ppm1      0.920 ppm2      1.824 CV     1
 OR {   31}
   (( segid "UBI " and resid 41   and name HB2 ))
   (  segid "UBI " and resid 36   and name HG2%)
 ASSI {   33}
   (( segid "UBI " and resid 33   and name HG2 ))
   (  segid "UBI " and resid 13   and name HG2%)
      3.100     1.200     1.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.12227E-02 ppm1      0.852 ppm2      1.579 CV     1
 OR {   33}
   (( segid "UBI " and resid 33   and name HG1 ))
   (  segid "UBI " and resid 13   and name HG2%)
 OR {   33}
   (( segid "UBI " and resid 11   and name HD1 ))
   (  segid "UBI " and resid 13   and name HG2%)
 ASSI {   48}
   (( segid "UBI " and resid 19   and name HA  ))
   (  segid "UBI " and resid 1    and name HE% )
      2.600     0.900     0.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.31893E-02 ppm1      1.658 ppm2      3.935 CV     1
 OR {   48}
   (( segid "UBI " and resid 63   and name HA  ))
   (  segid "UBI " and resid 1    and name HE% )
 ASSI {   54}
   (( segid "UBI " and resid 17   and name HB  ))
   (  segid "UBI " and resid 1    and name HE% )
      4.400     2.400     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.19324E-03 ppm1      1.662 ppm2      2.323 CV     1
 OR {   54}
   (( segid "UBI " and resid 62   and name HG2 ))
   (  segid "UBI " and resid 1    and name HE% )
 ASSI {   56}
   (( segid "UBI " and resid 63   and name HB2 ))
   (  segid "UBI " and resid 1    and name HE% )
      3.000     3.000     3.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.12997E-02 ppm1      1.662 ppm2      1.849 CV     1
 OR {   56}
   (( segid "UBI " and resid 62   and name HB2 ))
   (  segid "UBI " and resid 1    and name HE% )
 OR {   56}
   (( segid "UBI " and resid 2    and name HB2 ))
   (  segid "UBI " and resid 1    and name HE% )
 ASSI {   75}
   (( segid "UBI " and resid 36   and name HB  ))
   (  segid "UBI " and resid 30   and name HG2%)
      2.900     1.100     1.100 peak    75 spectrum    1 weight  0.10000E+01 volume  0.18383E-02 ppm1      0.677 ppm2      1.394 CV     1
 OR {   75}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 30   and name HG2%)
 OR {   75}
   (( segid "UBI " and resid 36   and name HG11))
   (  segid "UBI " and resid 30   and name HG2%)
 ASSI {  129}
   (( segid "UBI " and resid 34   and name HB2 ))
   (  segid "UBI " and resid 36   and name HD1%)
      3.200     1.200     1.200 peak   129 spectrum    1 weight  0.10000E+01 volume  0.14963E-02 ppm1      0.760 ppm2      1.657 CV     1
 OR {  129}
   (( segid "UBI " and resid 71   and name HG  ))
   (  segid "UBI " and resid 36   and name HD1%)
 ASSI {  132}
   (( segid "UBI " and resid 34   and name HG2 ))
   (  segid "UBI " and resid 36   and name HD1%)
      4.000     2.000     2.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.41726E-03 ppm1      0.765 ppm2      2.067 CV     1
 OR {  132}
   (( segid "UBI " and resid 37   and name HG2 ))
   (  segid "UBI " and resid 36   and name HD1%)
 ASSI {  142}
   (( segid "UBI " and resid 32   and name HA  ))
   (( segid "UBI " and resid 32   and name HB2 ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.18982E-02 ppm1      2.724 ppm2      4.289 CV     1
 OR {  142}
   (( segid "UBI " and resid 52   and name HA  ))
   (( segid "UBI " and resid 52   and name HB2 ))
 ASSI {  154}
   (  segid "UBI " and resid 17   and name HG2%)
   (  segid "UBI " and resid 1    and name HE% )
      2.300     2.300     3.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.57543E-02 ppm1      1.655 ppm2      0.411 CV     1
 OR {  154}
   (  segid "UBI " and resid 61   and name HD1%)
   (  segid "UBI " and resid 1    and name HE% )
 ASSI {  155}
   (  segid "UBI " and resid 56   and name HD1%)
   (  segid "UBI " and resid 1    and name HE% )
      2.500     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.40357E-02 ppm1      1.657 ppm2      0.595 CV     1
 OR {  155}
   (  segid "UBI " and resid 3    and name HG2%)
   (  segid "UBI " and resid 1    and name HE% )
 ASSI {  163}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 15   and name HB1 ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.47368E-02 ppm1      1.340 ppm2      0.680 CV     1
 OR {  163}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 15   and name HB1 ))
 ASSI {  164}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 15   and name HB2 ))
      2.400     0.700     0.700 peak   164 spectrum    1 weight  0.10000E+01 volume  0.55576E-02 ppm1      1.182 ppm2      0.685 CV     1
 OR {  164}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 15   and name HB2 ))
 ASSI {  173}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HB1 ))
      2.300     0.700     0.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.70027E-02 ppm1      1.606 ppm2      0.681 CV     1
 OR {  173}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 67   and name HB2 ))
 OR {  173}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 67   and name HB2 ))
 ASSI {  176}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.41042E-02 ppm1      1.067 ppm2      0.669 CV     1
 OR {  176}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 69   and name HB2 ))
 ASSI {  194}
   (  segid "UBI " and resid 61   and name HD1%)
   (( segid "UBI " and resid 45   and name HB2 ))
      3.400     1.400     1.400 peak   194 spectrum    1 weight  0.10000E+01 volume  0.69172E-03 ppm1      3.095 ppm2      0.403 CV     1
 OR {  194}
   (( segid "UBI " and resid 68   and name HD2 ))
   (( segid "UBI " and resid 45   and name HB2 ))
 ASSI {  198}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 29   and name HE2 ))
      3.000     1.100     1.100 peak   198 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      3.151 ppm2      0.684 CV     1
 OR {  198}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 33   and name HE1 ))
 OR {  198}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 29   and name HE2 ))
 OR {  198}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 33   and name HE1 ))
 OR {  198}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 29   and name HE2 ))
 ASSI {  200}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 54   and name HD1 ))
      2.600     0.900     0.900 peak   200 spectrum    1 weight  0.10000E+01 volume  0.30012E-02 ppm1      3.147 ppm2      1.575 CV     1
 OR {  200}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HE2 ))
 OR {  200}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HE1 ))
 ASSI {  201}
   (( segid "UBI " and resid 33   and name HD1 ))
   (( segid "UBI " and resid 33   and name HE1 ))
      2.500     0.800     0.800 peak   201 spectrum    1 weight  0.10000E+01 volume  0.40443E-02 ppm1      3.149 ppm2      1.723 CV     1
 OR {  201}
   (( segid "UBI " and resid 33   and name HD2 ))
   (( segid "UBI " and resid 33   and name HE1 ))
 OR {  201}
   (( segid "UBI " and resid 29   and name HD1 ))
   (( segid "UBI " and resid 29   and name HE2 ))
 ASSI {  203}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 27   and name HE2 ))
      2.400     0.700     0.700 peak   203 spectrum    1 weight  0.10000E+01 volume  0.57800E-02 ppm1      2.594 ppm2      0.749 CV     1
 OR {  203}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 27   and name HE1 ))
 OR {  203}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 27   and name HE2 ))
 OR {  203}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 27   and name HE1 ))
 OR {  203}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 27   and name HE1 ))
 ASSI {  204}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 27   and name HE2 ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.27019E-02 ppm1      2.596 ppm2      1.426 CV     1
 OR {  204}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 27   and name HE1 ))
 OR {  204}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HE1 ))
 ASSI {  207}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 29   and name HE1 ))
      3.700     1.700     1.700 peak   207 spectrum    1 weight  0.10000E+01 volume  0.43692E-03 ppm1      2.950 ppm2      0.678 CV     1
 OR {  207}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 29   and name HE1 ))
 ASSI {  214}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 73   and name HB2 ))
      2.800     1.000     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.21974E-02 ppm1      1.661 ppm2      0.840 CV     1
 OR {  214}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 71   and name HB1 ))
 ASSI {  215}
   (  segid "UBI " and resid 71   and name HD2%)
   (( segid "UBI " and resid 71   and name HB1 ))
      2.400     0.700     0.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.55747E-02 ppm1      1.667 ppm2      0.922 CV     1
 OR {  215}
   (  segid "UBI " and resid 73   and name HD2%)
   (( segid "UBI " and resid 73   and name HB2 ))
 ASSI {  222}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 6    and name HE1 ))
      2.700     0.900     0.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.25479E-02 ppm1      2.881 ppm2      1.214 CV     1
 OR {  222}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 11   and name HE1 ))
 OR {  222}
   (( segid "UBI " and resid 6    and name HG2 ))
   (( segid "UBI " and resid 6    and name HE2 ))
 OR {  222}
   (( segid "UBI " and resid 11   and name HG1 ))
   (( segid "UBI " and resid 11   and name HE2 ))
 ASSI {  225}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 33   and name HE1 ))
      3.300     1.400     1.400 peak   225 spectrum    1 weight  0.10000E+01 volume  0.78916E-03 ppm1      3.140 ppm2      0.852 CV     1
 OR {  225}
   (  segid "UBI " and resid 46   and name HB% )
   (( segid "UBI " and resid 48   and name HE2 ))
 ASSI {  226}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 4    and name HB2 ))
      2.800     1.000     1.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.23513E-02 ppm1      2.852 ppm2      0.864 CV     1
 OR {  226}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 6    and name HE2 ))
 ASSI {  227}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 4    and name HB2 ))
      2.800     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.30867E-02 ppm1      2.847 ppm2      1.051 CV     1
 OR {  227}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 11   and name HE2 ))
 OR {  227}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 11   and name HE1 ))
 ASSI {  238}
   (( segid "UBI " and resid 3    and name HG11))
   (( segid "UBI " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   238 spectrum    1 weight  0.10000E+01 volume  0.33944E-02 ppm1      1.752 ppm2      1.040 CV     1
 OR {  238}
   (  segid "UBI " and resid 8    and name HD1%)
   (( segid "UBI " and resid 8    and name HB2 ))
 ASSI {  281}
   (  segid "UBI " and resid 26   and name HG2%)
   (  segid "UBI " and resid 23   and name HD1%)
      2.800     1.000     1.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.30097E-02 ppm1      0.551 ppm2      0.963 CV     1
 OR {  281}
   (( segid "UBI " and resid 50   and name HB2 ))
   (  segid "UBI " and resid 23   and name HD1%)
 ASSI {  296}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 26   and name HA  ))
      2.900     1.000     1.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.17015E-02 ppm1      3.336 ppm2      1.404 CV     1
 OR {  296}
   (( segid "UBI " and resid 15   and name HG  ))
   (( segid "UBI " and resid 26   and name HA  ))
 ASSI {  307}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 17   and name HB  ))
      2.000     0.500     0.500 peak   307 spectrum    1 weight  0.10000E+01 volume  0.14963E-01 ppm1      2.329 ppm2      0.677 CV     1
 OR {  307}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 30   and name HB  ))
 ASSI {  319}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.20863E-02 ppm1      4.102 ppm2      1.594 CV     1
 OR {  319}
   (( segid "UBI " and resid 38   and name HG1 ))
   (( segid "UBI " and resid 38   and name HA  ))
 ASSI {  323}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 30   and name HA  ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.25052E-02 ppm1      3.488 ppm2      2.003 CV     1
 OR {  323}
   (( segid "UBI " and resid 33   and name HB1 ))
   (( segid "UBI " and resid 30   and name HA  ))
 ASSI {  339}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 65   and name HB2 ))
      3.200     1.300     1.300 peak   339 spectrum    1 weight  0.10000E+01 volume  0.93200E-03 ppm1      3.623 ppm2      0.594 CV     1
 OR {  339}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 65   and name HB2 ))
 ASSI {  353}
   (( segid "UBI " and resid 2    and name HB1 ))
   (( segid "UBI " and resid 2    and name HG2 ))
      2.000     0.500     0.500 peak   353 spectrum    1 weight  0.10000E+01 volume  0.15476E-01 ppm1      1.833 ppm2      1.581 CV     1
 OR {  353}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HB2 ))
 OR {  353}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HB2 ))
 ASSI {  360}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 15   and name HB2 ))
      2.700     0.900     0.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19837E-02 ppm1      1.164 ppm2      0.858 CV     1
 OR {  360}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 15   and name HB2 ))
 ASSI {  368}
   (( segid "UBI " and resid 30   and name HG12))
   (  segid "UBI " and resid 30   and name HD1%)
      1.700     0.400     0.500 peak   368 spectrum    1 weight  0.10000E+01 volume  0.34457E-01 ppm1      0.871 ppm2      0.671 CV     1
 OR {  368}
   (  segid "UBI " and resid 30   and name HG2%)
   (  segid "UBI " and resid 30   and name HD1%)
 OR {  368}
   (  segid "UBI " and resid 26   and name HG1%)
   (  segid "UBI " and resid 30   and name HD1%)
 ASSI {  375}
   (( segid "UBI " and resid 73   and name HB2 ))
   (( segid "UBI " and resid 73   and name HB1 ))
      1.600     0.300     0.600 peak   375 spectrum    1 weight  0.10000E+01 volume  0.40443E-01 ppm1      1.485 ppm2      1.660 CV     1
 OR {  375}
   (( segid "UBI " and resid 71   and name HB1 ))
   (( segid "UBI " and resid 71   and name HB2 ))
 ASSI {  376}
   (  segid "UBI " and resid 67   and name HD2%)
   (( segid "UBI " and resid 3    and name HB  ))
      2.500     0.800     0.800 peak   376 spectrum    1 weight  0.10000E+01 volume  0.56774E-02 ppm1      1.732 ppm2      0.658 CV     1
 OR {  376}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 3    and name HB  ))
 OR {  376}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 3    and name HB  ))
 ASSI {  377}
   (  segid "UBI " and resid 73   and name HD1%)
   (( segid "UBI " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak   377 spectrum    1 weight  0.10000E+01 volume  0.16331E-02 ppm1      1.494 ppm2      0.831 CV     1
 OR {  377}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 71   and name HB2 ))
 ASSI {  378}
   (  segid "UBI " and resid 73   and name HD2%)
   (( segid "UBI " and resid 73   and name HB1 ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.10000E+01 volume  0.28729E-02 ppm1      1.490 ppm2      0.930 CV     1
 OR {  378}
   (  segid "UBI " and resid 71   and name HD2%)
   (( segid "UBI " and resid 71   and name HB2 ))
 ASSI {  399}
   (  segid "UBI " and resid 56   and name HD2%)
   (  segid "UBI " and resid 23   and name HD1%)
      2.200     0.600     0.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.72079E-02 ppm1      0.553 ppm2      0.745 CV     1
 OR {  399}
   (  segid "UBI " and resid 23   and name HG2%)
   (  segid "UBI " and resid 23   and name HD1%)
 ASSI {  409}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 51   and name HG1 ))
      2.400     0.700     0.700 peak   409 spectrum    1 weight  0.10000E+01 volume  0.43008E-02 ppm1      2.322 ppm2      1.964 CV     1
 OR {  409}
   (( segid "UBI " and resid 30   and name HG11))
   (( segid "UBI " and resid 30   and name HB  ))
 ASSI {  484}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 41   and name HG1 ))
      3.500     1.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.40956E-03 ppm1      2.503 ppm2      0.825 CV     1
 OR {  484}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 41   and name HG1 ))
 ASSI {  485}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.14108E-02 ppm1      2.108 ppm2      0.684 CV     1
 OR {  485}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 29   and name HB2 ))
 OR {  485}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 29   and name HB2 ))
 ASSI {  499}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 19   and name HA  ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.13339E-02 ppm1      3.927 ppm2      1.658 CV     1
 OR {  499}
   (( segid "UBI " and resid 56   and name HG  ))
   (( segid "UBI " and resid 19   and name HA  ))
 OR {  499}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 19   and name HB1 ))
 ASSI {  539}
   (( segid "UBI " and resid 62   and name HA  ))
   (( segid "UBI " and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   539 spectrum    1 weight  0.10000E+01 volume  0.25479E-02 ppm1      2.205 ppm2      4.439 CV     1
 OR {  539}
   (( segid "UBI " and resid 51   and name HA  ))
   (( segid "UBI " and resid 51   and name HB1 ))
 ASSI {  621}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 26   and name HB  ))
      2.600     0.900     0.900 peak   621 spectrum    1 weight  0.10000E+01 volume  0.29071E-02 ppm1      2.333 ppm2      0.741 CV     1
 OR {  621}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 26   and name HB  ))
 ASSI {  635}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 27   and name HA  ))
      3.200     1.200     1.200 peak   635 spectrum    1 weight  0.10000E+01 volume  0.14706E-02 ppm1      4.609 ppm2      0.668 CV     1
 OR {  635}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 27   and name HA  ))
 OR {  635}
   (( segid "UBI " and resid 30   and name HG12))
   (( segid "UBI " and resid 27   and name HA  ))
 ASSI {  657}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 27   and name HD2 ))
      2.300     0.600     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.72164E-02 ppm1      1.718 ppm2      2.023 CV     1
 OR {  657}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HD1 ))
 OR {  657}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 27   and name HD1 ))
 OR {  657}
   (( segid "UBI " and resid 63   and name HB1 ))
   (( segid "UBI " and resid 63   and name HD2 ))
 ASSI {  663}
   (  segid "UBI " and resid 59   and name HD% )
   (( segid "UBI " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak   663 spectrum    1 weight  0.10000E+01 volume  0.68744E-02 ppm1      4.032 ppm2      0.592 CV     1
 OR {  663}
   (  segid "UBI " and resid 56   and name HD1%)
   (( segid "UBI " and resid 56   and name HA  ))
 ASSI {  672}
   (( segid "UBI " and resid 6    and name HE2 ))
   (( segid "UBI " and resid 6    and name HD1 ))
      2.500     0.800     0.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.36082E-02 ppm1      1.563 ppm2      2.844 CV     1
 OR {  672}
   (( segid "UBI " and resid 11   and name HE2 ))
   (( segid "UBI " and resid 11   and name HD2 ))
 OR {  672}
   (( segid "UBI " and resid 11   and name HE1 ))
   (( segid "UBI " and resid 11   and name HD1 ))
 OR {  672}
   (( segid "UBI " and resid 11   and name HE2 ))
   (( segid "UBI " and resid 11   and name HD1 ))
 OR {  672}
   (( segid "UBI " and resid 11   and name HE1 ))
   (( segid "UBI " and resid 11   and name HD2 ))
 OR {  672}
   (( segid "UBI " and resid 6    and name HE2 ))
   (( segid "UBI " and resid 6    and name HD2 ))
 OR {  672}
   (( segid "UBI " and resid 6    and name HE1 ))
   (( segid "UBI " and resid 6    and name HD1 ))
 ASSI {  690}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 64   and name HA  ))
      3.200     1.300     1.300 peak   690 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      3.336 ppm2      0.603 CV     1
 OR {  690}
   (  segid "UBI " and resid 4    and name HE% )
   (( segid "UBI " and resid 64   and name HA  ))
 ASSI {  764}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 38   and name HG1 ))
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      1.586 ppm2      1.978 CV     1
 OR {  764}
   (( segid "UBI " and resid 51   and name HB2 ))
   (( segid "UBI " and resid 54   and name HG2 ))
 ASSI {  780}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 31   and name HB1 ))
      3.700     3.700     2.300 peak   780 spectrum    1 weight  0.10000E+01 volume  0.57885E-03 ppm1      1.940 ppm2      1.714 CV     1
 OR {  780}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 31   and name HB1 ))
 OR {  780}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 31   and name HB1 ))
 ASSI {  792}
   (( segid "UBI " and resid 23   and name HB  ))
   (( segid "UBI " and resid 52   and name HA  ))
      2.200     0.600     0.600 peak   792 spectrum    1 weight  0.10000E+01 volume  0.69599E-02 ppm1      4.289 ppm2      2.464 CV     1
 OR {  792}
   (( segid "UBI " and resid 52   and name HB1 ))
   (( segid "UBI " and resid 52   and name HA  ))
 ASSI {  823}
   (( segid "UBI " and resid 17   and name HB  ))
   (  segid "UBI " and resid 56   and name HD2%)
      2.900     1.000     1.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.23855E-02 ppm1      0.728 ppm2      2.327 CV     1
 OR {  823}
   (( segid "UBI " and resid 26   and name HB  ))
   (  segid "UBI " and resid 56   and name HD2%)
 OR {  823}
   (( segid "UBI " and resid 26   and name HB  ))
   (  segid "UBI " and resid 43   and name HD2%)
 ASSI {  824}
   (( segid "UBI " and resid 21   and name HB2 ))
   (  segid "UBI " and resid 56   and name HD2%)
      3.500     1.500     1.500 peak   824 spectrum    1 weight  0.10000E+01 volume  0.74899E-03 ppm1      0.726 ppm2      2.949 CV     1
 OR {  824}
   (( segid "UBI " and resid 58   and name HB1 ))
   (  segid "UBI " and resid 56   and name HD2%)
 ASSI {  827}
   (  segid "UBI " and resid 26   and name HG2%)
   (  segid "UBI " and resid 56   and name HD2%)
      2.300     0.700     0.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.60536E-02 ppm1      0.730 ppm2      0.958 CV     1
 OR {  827}
   (( segid "UBI " and resid 50   and name HB2 ))
   (  segid "UBI " and resid 43   and name HD2%)
 ASSI {  849}
   (( segid "UBI " and resid 74   and name HG1 ))
   (( segid "UBI " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak   849 spectrum    1 weight  0.10000E+01 volume  0.19751E-02 ppm1      4.319 ppm2      1.614 CV     1
 OR {  849}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HA  ))
 OR {  849}
   (( segid "UBI " and resid 11   and name HD2 ))
   (( segid "UBI " and resid 11   and name HA  ))
 ASSI {  860}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 41   and name HA  ))
      2.400     0.700     0.700 peak   860 spectrum    1 weight  0.10000E+01 volume  0.51045E-02 ppm1      4.212 ppm2      0.825 CV     1
 OR {  860}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 41   and name HA  ))
 ASSI {  890}
   (( segid "UBI " and resid 43   and name HB1 ))
   (  segid "UBI " and resid 43   and name HD2%)
      2.700     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.31722E-02 ppm1      0.692 ppm2      1.527 CV     1
 OR {  890}
   (( segid "UBI " and resid 69   and name HB1 ))
   (  segid "UBI " and resid 69   and name HD1%)
 ASSI {  916}
   (( segid "UBI " and resid 34   and name HG1 ))
   (( segid "UBI " and resid 34   and name HA  ))
      2.900     1.100     1.100 peak   916 spectrum    1 weight  0.10000E+01 volume  0.21889E-02 ppm1      4.563 ppm2      2.129 CV     1
 OR {  916}
   (( segid "UBI " and resid 49   and name HG1 ))
   (( segid "UBI " and resid 49   and name HA  ))
 ASSI {  919}
   (( segid "UBI " and resid 51   and name HG2 ))
   (( segid "UBI " and resid 51   and name HA  ))
      2.300     0.600     0.600 peak   919 spectrum    1 weight  0.10000E+01 volume  0.79774E-02 ppm1      4.406 ppm2      2.392 CV     1
 OR {  919}
   (( segid "UBI " and resid 40   and name HB1 ))
   (( segid "UBI " and resid 40   and name HA  ))
 OR {  919}
   (( segid "UBI " and resid 40   and name HG1 ))
   (( segid "UBI " and resid 40   and name HA  ))
 OR {  919}
   (( segid "UBI " and resid 40   and name HG2 ))
   (( segid "UBI " and resid 40   and name HA  ))
 ASSI {  956}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 67   and name HD2%)
      3.300     1.400     1.400 peak   956 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      0.622 ppm2      1.122 CV     1
 OR {  956}
   (( segid "UBI " and resid 61   and name HG11))
   (  segid "UBI " and resid 67   and name HD2%)
 OR {  956}
   (( segid "UBI " and resid 61   and name HG11))
   (  segid "UBI " and resid 67   and name HD1%)
 OR {  956}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 67   and name HD1%)
 ASSI {  969}
   (( segid "UBI " and resid 8    and name HA  ))
   (  segid "UBI " and resid 8    and name HD1%)
      3.800     1.800     1.800 peak   969 spectrum    1 weight  0.10000E+01 volume  0.40101E-03 ppm1      1.034 ppm2      4.289 CV     1
 OR {  969}
   (( segid "UBI " and resid 70   and name HA  ))
   (  segid "UBI " and resid 8    and name HD1%)
 ASSI {  972}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   972 spectrum    1 weight  0.10000E+01 volume  0.30781E-02 ppm1      4.267 ppm2      1.767 CV     1
 OR {  972}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 74   and name HA  ))
 ASSI {  998}
   (( segid "UBI " and resid 16   and name HB2 ))
   (( segid "UBI " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.27361E-02 ppm1      4.874 ppm2      1.799 CV     1
 OR {  998}
   (( segid "UBI " and resid 2    and name HG2 ))
   (( segid "UBI " and resid 16   and name HA  ))
 ASSI { 1030}
   (( segid "UBI " and resid 69   and name HA  ))
   (  segid "UBI " and resid 43   and name HD1%)
      2.600     0.900     0.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.24283E-02 ppm1      0.782 ppm2      5.178 CV     1
 OR { 1030}
   (( segid "UBI " and resid 69   and name HA  ))
   (  segid "UBI " and resid 71   and name HD1%)
 ASSI { 1038}
   (( segid "UBI " and resid 71   and name HA  ))
   (  segid "UBI " and resid 71   and name HD1%)
      2.800     1.000     1.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.21034E-02 ppm1      0.830 ppm2      5.036 CV     1
 OR { 1038}
   (( segid "UBI " and resid 7    and name HA  ))
   (  segid "UBI " and resid 69   and name HD2%)
 ASSI { 1072}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.32064E-02 ppm1      5.182 ppm2      0.793 CV     1
 OR { 1072}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 69   and name HA  ))
 ASSI { 1073}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      5.037 ppm2      0.828 CV     1
 OR { 1073}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 71   and name HA  ))
 ASSI { 1074}
   (( segid "UBI " and resid 63   and name HB2 ))
   (( segid "UBI " and resid 63   and name HG1 ))
      2.000     0.500     0.500 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.18212E-01 ppm1      1.472 ppm2      1.841 CV     1
 OR { 1074}
   (( segid "UBI " and resid 48   and name HB1 ))
   (( segid "UBI " and resid 48   and name HG2 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HB2 ))
   (( segid "UBI " and resid 48   and name HG1 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HD1 ))
   (( segid "UBI " and resid 48   and name HG2 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HD2 ))
   (( segid "UBI " and resid 48   and name HG1 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HD2 ))
   (( segid "UBI " and resid 48   and name HG2 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HD1 ))
   (( segid "UBI " and resid 48   and name HG1 ))
 OR { 1074}
   (( segid "UBI " and resid 48   and name HB2 ))
   (( segid "UBI " and resid 48   and name HG2 ))
 ASSI { 1086}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 69   and name HA  ))
      3.000     1.200     1.200 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.14877E-02 ppm1      5.184 ppm2      0.679 CV     1
 OR { 1086}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 69   and name HA  ))
 ASSI { 1094}
   (( segid "UBI " and resid 43   and name HA  ))
   (  segid "UBI " and resid 69   and name HD2%)
      3.700     1.700     1.700 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.52840E-03 ppm1      0.822 ppm2      5.339 CV     1
 OR { 1094}
   (( segid "UBI " and resid 6    and name HA  ))
   (  segid "UBI " and resid 69   and name HD2%)
 ASSI { 1114}
   (  segid "UBI " and resid 56   and name HD1%)
   (  segid "UBI " and resid 26   and name HG2%)
      2.200     0.600     0.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.84650E-02 ppm1      0.955 ppm2      0.587 CV     1
 OR { 1114}
   (  segid "UBI " and resid 3    and name HD1%)
   (  segid "UBI " and resid 26   and name HG2%)
 ASSI { 1130}
   (( segid "UBI " and resid 29   and name HE2 ))
   (  segid "UBI " and resid 17   and name HG1%)
      3.000     3.000     3.000 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.10944E-02 ppm1      0.683 ppm2      3.153 CV     1
 OR { 1130}
   (( segid "UBI " and resid 25   and name HB1 ))
   (  segid "UBI " and resid 17   and name HG1%)
 ASSI { 1131}
   (( segid "UBI " and resid 15   and name HB1 ))
   (  segid "UBI " and resid 17   and name HG1%)
      3.000     1.200     1.200 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.13595E-02 ppm1      0.681 ppm2      1.337 CV     1
 OR { 1131}
   (( segid "UBI " and resid 15   and name HB1 ))
   (  segid "UBI " and resid 5    and name HG1%)
 ASSI { 1139}
   (( segid "UBI " and resid 4    and name HB2 ))
   (  segid "UBI " and resid 12   and name HG2%)
      3.000     1.100     1.100 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.28558E-02 ppm1      1.053 ppm2      2.840 CV     1
 OR { 1139}
   (( segid "UBI " and resid 6    and name HE1 ))
   (  segid "UBI " and resid 12   and name HG2%)
 ASSI { 1161}
   (( segid "UBI " and resid 2    and name HG1 ))
   (  segid "UBI " and resid 14   and name HG2%)
      3.100     1.200     1.200 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.13168E-02 ppm1      1.110 ppm2      2.209 CV     1
 OR { 1161}
   (( segid "UBI " and resid 58   and name HB2 ))
   (  segid "UBI " and resid 55   and name HG2%)
 OR { 1161}
   (( segid "UBI " and resid 54   and name HB1 ))
   (  segid "UBI " and resid 55   and name HG2%)
 ASSI { 1171}
   (( segid "UBI " and resid 4    and name HB2 ))
   (  segid "UBI " and resid 66   and name HG2%)
      3.100     1.200     1.200 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.12997E-02 ppm1      0.864 ppm2      2.847 CV     1
 OR { 1171}
   (( segid "UBI " and resid 68   and name HB2 ))
   (  segid "UBI " and resid 70   and name HG2%)
 ASSI { 1172}
   (( segid "UBI " and resid 4    and name HB1 ))
   (  segid "UBI " and resid 66   and name HG2%)
      3.100     1.200     1.200 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      0.863 ppm2      3.011 CV     1
 OR { 1172}
   (( segid "UBI " and resid 68   and name HB1 ))
   (  segid "UBI " and resid 70   and name HG2%)
 ASSI { 1181}
   (( segid "UBI " and resid 44   and name HB  ))
   (  segid "UBI " and resid 70   and name HG2%)
      3.000     1.100     1.100 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.15989E-02 ppm1      0.904 ppm2      1.681 CV     1
 OR { 1181}
   (( segid "UBI " and resid 42   and name HB1 ))
   (  segid "UBI " and resid 70   and name HG2%)
 ASSI { 1188}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 38   and name HD2 ))
      2.700     0.900     0.900 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.38220E-02 ppm1      3.724 ppm2      1.979 CV     1
 OR { 1188}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 38   and name HD2 ))
 OR { 1188}
   (( segid "UBI " and resid 38   and name HB2 ))
   (( segid "UBI " and resid 38   and name HD1 ))
 OR { 1188}
   (( segid "UBI " and resid 37   and name HB2 ))
   (( segid "UBI " and resid 38   and name HD1 ))
 ASSI { 1213}
   (( segid "UBI " and resid 67   and name HB2 ))
   (  segid "UBI " and resid 5    and name HG1%)
      2.800     1.000     1.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.21547E-02 ppm1      0.665 ppm2      1.616 CV     1
 OR { 1213}
   (( segid "UBI " and resid 67   and name HB1 ))
   (  segid "UBI " and resid 5    and name HG1%)
 OR { 1213}
   (( segid "UBI " and resid 6    and name HB1 ))
   (  segid "UBI " and resid 5    and name HG1%)
 ASSI { 1215}
   (( segid "UBI " and resid 29   and name HD2 ))
   (  segid "UBI " and resid 17   and name HG1%)
      2.900     1.100     1.100 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.17357E-02 ppm1      0.680 ppm2      1.406 CV     1
 OR { 1215}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 17   and name HG1%)
 OR { 1215}
   (( segid "UBI " and resid 43   and name HG  ))
   (  segid "UBI " and resid 5    and name HG1%)
 ASSI { 1223}
   (( segid "UBI " and resid 69   and name HB1 ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.300     0.700     0.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.64298E-02 ppm1      0.848 ppm2      1.545 CV     1
 OR { 1223}
   (( segid "UBI " and resid 73   and name HB1 ))
   (  segid "UBI " and resid 73   and name HD1%)
 ASSI { 1232}
   (  segid "UBI " and resid 30   and name HD1%)
   (  segid "UBI " and resid 5    and name HG1%)
      2.300     0.600     0.600 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.80118E-02 ppm1      0.667 ppm2      0.849 CV     1
 OR { 1232}
   (  segid "UBI " and resid 69   and name HD2%)
   (  segid "UBI " and resid 5    and name HG1%)
 ASSI { 1241}
   (  segid "UBI " and resid 5    and name HG1%)
   (  segid "UBI " and resid 7    and name HG2%)
      2.400     0.700     0.700 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.61818E-02 ppm1      1.163 ppm2      0.688 CV     1
 OR { 1241}
   (  segid "UBI " and resid 69   and name HD1%)
   (  segid "UBI " and resid 7    and name HG2%)
 ASSI { 1255}
   (( segid "UBI " and resid 29   and name HA  ))
   (( segid "UBI " and resid 29   and name HB2 ))
      3.000     1.100     1.100 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.20350E-02 ppm1      2.091 ppm2      4.184 CV     1
 OR { 1255}
   (( segid "UBI " and resid 24   and name HA  ))
   (( segid "UBI " and resid 27   and name HB1 ))
 ASSI { 1269}
   (  segid "UBI " and resid 7    and name HG2%)
   (  segid "UBI " and resid 5    and name HG1%)
      2.800     1.000     1.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.25137E-02 ppm1      0.681 ppm2      1.173 CV     1
 OR { 1269}
   (( segid "UBI " and resid 15   and name HB2 ))
   (  segid "UBI " and resid 17   and name HG1%)
 ASSI { 1270}
   (( segid "UBI " and resid 21   and name HB2 ))
   (  segid "UBI " and resid 17   and name HG1%)
      4.000     2.000     2.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.23770E-03 ppm1      0.685 ppm2      2.949 CV     1
 OR { 1270}
   (( segid "UBI " and resid 29   and name HE1 ))
   (  segid "UBI " and resid 17   and name HG1%)
 ASSI { 1274}
   (( segid "UBI " and resid 69   and name HA  ))
   (  segid "UBI " and resid 5    and name HG1%)
      3.800     1.800     1.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.46257E-03 ppm1      0.666 ppm2      5.145 CV     1
 OR { 1274}
   (( segid "UBI " and resid 68   and name HA  ))
   (  segid "UBI " and resid 5    and name HG1%)
 ASSI { 1288}
   (( segid "UBI " and resid 13   and name HA  ))
   (( segid "UBI " and resid 13   and name HG12))
      3.100     1.200     1.200 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.10431E-02 ppm1      1.449 ppm2      4.485 CV     1
 OR { 1288}
   (( segid "UBI " and resid 42   and name HA  ))
   (( segid "UBI " and resid 42   and name HG2 ))
 OR { 1288}
   (( segid "UBI " and resid 42   and name HA  ))
   (( segid "UBI " and resid 42   and name HG1 ))
 ASSI { 1307}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HG1 ))
      1.700     0.400     0.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.40870E-01 ppm1      1.565 ppm2      1.402 CV     1
 OR { 1307}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 27   and name HG2 ))
 OR { 1307}
   (( segid "UBI " and resid 29   and name HD2 ))
   (( segid "UBI " and resid 29   and name HG2 ))
 ASSI { 1319}
   (( segid "UBI " and resid 41   and name HG2 ))
   (( segid "UBI " and resid 41   and name HA  ))
      2.900     1.000     1.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      4.213 ppm2      1.624 CV     1
 OR { 1319}
   (( segid "UBI " and resid 71   and name HB1 ))
   (( segid "UBI " and resid 41   and name HA  ))
 ASSI { 1321}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 74   and name HA  ))
      2.600     0.900     0.900 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.33944E-02 ppm1      4.306 ppm2      1.769 CV     1
 OR { 1321}
   (( segid "UBI " and resid 11   and name HB1 ))
   (( segid "UBI " and resid 11   and name HA  ))
 ASSI { 1324}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HD2 ))
      1.500     0.300     0.700 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.78147E-01 ppm1      1.694 ppm2      1.577 CV     1
 OR { 1324}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HD1 ))
 OR { 1324}
   (( segid "UBI " and resid 67   and name HB2 ))
   (( segid "UBI " and resid 67   and name HG  ))
 OR { 1324}
   (( segid "UBI " and resid 33   and name HG2 ))
   (( segid "UBI " and resid 33   and name HD2 ))
 OR { 1324}
   (( segid "UBI " and resid 33   and name HG1 ))
   (( segid "UBI " and resid 33   and name HD1 ))
 ASSI { 1327}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 7    and name HA  ))
      3.300     1.400     1.400 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      5.005 ppm2      0.685 CV     1
 OR { 1327}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 7    and name HA  ))
 ASSI { 1329}
   (  segid "UBI " and resid 66   and name HG2%)
   (( segid "UBI " and resid 5    and name HA  ))
      3.500     1.500     1.500 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.73532E-03 ppm1      4.769 ppm2      0.859 CV     1
 OR { 1329}
   (  segid "UBI " and resid 30   and name HD1%)
   (( segid "UBI " and resid 5    and name HA  ))
 ASSI { 1331}
   (  segid "UBI " and resid 23   and name HD1%)
   (( segid "UBI " and resid 26   and name HB  ))
      3.900     1.900     1.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.34970E-03 ppm1      2.324 ppm2      0.561 CV     1
 OR { 1331}
   (  segid "UBI " and resid 3    and name HD1%)
   (( segid "UBI " and resid 26   and name HB  ))
 ASSI { 1356}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 40   and name HG2 ))
      3.400     1.400     1.400 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.54892E-03 ppm1      2.403 ppm2      0.831 CV     1
 OR { 1356}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 40   and name HG1 ))
 OR { 1356}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 40   and name HG2 ))
 ASSI { 1361}
   (  segid "UBI " and resid 30   and name HG2%)
   (( segid "UBI " and resid 34   and name HG2 ))
      3.300     1.400     1.400 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.10346E-02 ppm1      2.058 ppm2      0.679 CV     1
 OR { 1361}
   (  segid "UBI " and resid 13   and name HD1%)
   (( segid "UBI " and resid 34   and name HG2 ))
 ASSI { 1369}
   (  segid "UBI " and resid 4    and name HE% )
   (( segid "UBI " and resid 64   and name HG2 ))
      3.300     1.400     1.400 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.81484E-03 ppm1      2.223 ppm2      0.605 CV     1
 OR { 1369}
   (  segid "UBI " and resid 4    and name HE% )
   (( segid "UBI " and resid 64   and name HG1 ))
 OR { 1369}
   (  segid "UBI " and resid 3    and name HG2%)
   (( segid "UBI " and resid 64   and name HG2 ))
 ASSI { 1377}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 23   and name HD1%)
      3.600     3.600     2.400 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.56603E-03 ppm1      0.564 ppm2      1.134 CV     1
 OR { 1377}
   (  segid "UBI " and resid 55   and name HG2%)
   (  segid "UBI " and resid 23   and name HD1%)
 ASSI { 1378}
   (( segid "UBI " and resid 56   and name HA  ))
   (  segid "UBI " and resid 23   and name HD1%)
      3.800     1.800     1.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.48737E-03 ppm1      0.550 ppm2      4.033 CV     1
 OR { 1378}
   (( segid "UBI " and resid 50   and name HA  ))
   (  segid "UBI " and resid 23   and name HD1%)
 ASSI { 1381}
   (( segid "UBI " and resid 56   and name HG  ))
   (( segid "UBI " and resid 56   and name HB1 ))
      3.000     1.100     1.100 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.15818E-02 ppm1      1.249 ppm2      1.679 CV     1
 OR { 1381}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 56   and name HB1 ))
 ASSI { 1419}
   (( segid "UBI " and resid 54   and name HB2 ))
   (( segid "UBI " and resid 54   and name HD1 ))
      3.500     1.600     1.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.58569E-03 ppm1      3.129 ppm2      2.090 CV     1
 OR { 1419}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HE2 ))
 ASSI { 1423}
   (( segid "UBI " and resid 54   and name HG1 ))
   (( segid "UBI " and resid 54   and name HD1 ))
      2.900     1.100     1.100 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.19922E-02 ppm1      3.123 ppm2      1.819 CV     1
 OR { 1423}
   (( segid "UBI " and resid 33   and name HB2 ))
   (( segid "UBI " and resid 33   and name HE1 ))
 ASSI { 1425}
   (( segid "UBI " and resid 54   and name HG2 ))
   (( segid "UBI " and resid 54   and name HD2 ))
      3.100     1.200     1.200 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.12398E-02 ppm1      3.068 ppm2      1.593 CV     1
 OR { 1425}
   (( segid "UBI " and resid 42   and name HB2 ))
   (( segid "UBI " and resid 42   and name HD1 ))
 ASSI { 1428}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HD1 ))
      3.200     1.200     1.200 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.10688E-02 ppm1      3.181 ppm2      1.764 CV     1
 OR { 1428}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 74   and name HD1 ))
 OR { 1428}
   (( segid "UBI " and resid 72   and name HB2 ))
   (( segid "UBI " and resid 72   and name HD2 ))
 OR { 1428}
   (( segid "UBI " and resid 74   and name HB2 ))
   (( segid "UBI " and resid 74   and name HD2 ))
 ASSI { 1432}
   (( segid "UBI " and resid 67   and name HG  ))
   (  segid "UBI " and resid 61   and name HD1%)
      3.400     1.400     1.400 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.81395E-03 ppm1      0.399 ppm2      1.739 CV     1
 OR { 1432}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 61   and name HD1%)
 ASSI { 1436}
   (  segid "UBI " and resid 67   and name HD1%)
   (  segid "UBI " and resid 61   and name HD1%)
      2.100     0.500     0.500 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.14364E-01 ppm1      0.401 ppm2      0.597 CV     1
 OR { 1436}
   (  segid "UBI " and resid 56   and name HD1%)
   (  segid "UBI " and resid 61   and name HD1%)
 OR { 1436}
   (  segid "UBI " and resid 59   and name HD% )
   (  segid "UBI " and resid 61   and name HD1%)
 OR { 1436}
   (  segid "UBI " and resid 3    and name HD1%)
   (  segid "UBI " and resid 61   and name HD1%)
 ASSI { 1446}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.75757E-02 ppm1      1.538 ppm2      0.680 CV     1
 OR { 1446}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 69   and name HB1 ))
 ASSI { 1454}
   (( segid "UBI " and resid 43   and name HG  ))
   (( segid "UBI " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.23770E-02 ppm1      1.548 ppm2      1.427 CV     1
 OR { 1454}
   (( segid "UBI " and resid 50   and name HB1 ))
   (( segid "UBI " and resid 43   and name HB1 ))
 ASSI { 1465}
   (( segid "UBI " and resid 33   and name HB2 ))
   (  segid "UBI " and resid 30   and name HG2%)
      3.900     1.900     1.900 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.37621E-03 ppm1      0.673 ppm2      1.818 CV     1
 OR { 1465}
   (( segid "UBI " and resid 13   and name HB  ))
   (  segid "UBI " and resid 30   and name HG2%)
 ASSI { 1467}
   (  segid "UBI " and resid 45   and name HD% )
   (  segid "UBI " and resid 61   and name HG2%)
      2.700     0.900     0.900 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.42751E-02 ppm1      0.453 ppm2      0.728 CV     1
 OR { 1467}
   (  segid "UBI " and resid 56   and name HD2%)
   (  segid "UBI " and resid 61   and name HG2%)
 ASSI { 1468}
   (  segid "UBI " and resid 3    and name HG2%)
   (  segid "UBI " and resid 61   and name HG2%)
      1.900     0.500     0.500 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.17613E-01 ppm1      0.449 ppm2      0.591 CV     1
 OR { 1468}
   (  segid "UBI " and resid 67   and name HD1%)
   (  segid "UBI " and resid 61   and name HG2%)
 ASSI { 1480}
   (( segid "UBI " and resid 36   and name HG12))
   (  segid "UBI " and resid 30   and name HG2%)
      3.700     1.700     1.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.55320E-03 ppm1      0.682 ppm2      1.072 CV     1
 OR { 1480}
   (( segid "UBI " and resid 13   and name HG11))
   (  segid "UBI " and resid 30   and name HG2%)
 OR { 1480}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 30   and name HG2%)
 ASSI { 1484}
   (  segid "UBI " and resid 26   and name HG1%)
   (  segid "UBI " and resid 23   and name HG2%)
      1.900     1.900     4.100 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.24625E-01 ppm1      0.752 ppm2      0.647 CV     1
 OR { 1484}
   (  segid "UBI " and resid 17   and name HG1%)
   (  segid "UBI " and resid 23   and name HG2%)
 ASSI { 1485}
   (( segid "UBI " and resid 1    and name HB1 ))
   (  segid "UBI " and resid 17   and name HG2%)
      3.900     1.900     1.900 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.31123E-03 ppm1      0.416 ppm2      2.141 CV     1
 OR { 1485}
   (( segid "UBI " and resid 18   and name HB1 ))
   (  segid "UBI " and resid 17   and name HG2%)
 ASSI { 1486}
   (  segid "UBI " and resid 56   and name HD1%)
   (  segid "UBI " and resid 17   and name HG2%)
      2.200     0.600     0.600 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.87211E-02 ppm1      0.407 ppm2      0.579 CV     1
 OR { 1486}
   (  segid "UBI " and resid 3    and name HD1%)
   (  segid "UBI " and resid 17   and name HG2%)
 ASSI { 1507}
   (  segid "UBI " and resid 50   and name HD2%)
   (  segid "UBI " and resid 67   and name HD2%)
      2.400     0.700     0.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.48566E-02 ppm1      0.664 ppm2      0.461 CV     1
 OR { 1507}
   (  segid "UBI " and resid 61   and name HG2%)
   (  segid "UBI " and resid 67   and name HD2%)
 ASSI { 1509}
   (  segid "UBI " and resid 69   and name HD2%)
   (( segid "UBI " and resid 41   and name HG2 ))
      2.700     2.700     3.300 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.20606E-02 ppm1      1.629 ppm2      0.825 CV     1
 OR { 1509}
   (  segid "UBI " and resid 71   and name HD1%)
   (( segid "UBI " and resid 41   and name HG2 ))
 OR { 1509}
   (  segid "UBI " and resid 13   and name HG2%)
   (( segid "UBI " and resid 34   and name HB2 ))
 ASSI { 1521}
   (  segid "UBI " and resid 26   and name HG1%)
   (  segid "UBI " and resid 26   and name HG2%)
      2.000     0.500     0.500 peak  1521 spectrum    1 weight  0.10000E+01 volume  0.14450E-01 ppm1      0.955 ppm2      0.672 CV     1
 OR { 1521}
   (  segid "UBI " and resid 17   and name HG1%)
   (  segid "UBI " and resid 26   and name HG2%)
 ASSI { 1524}
   (( segid "UBI " and resid 41   and name HB1 ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.800     1.000     1.000 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.21974E-02 ppm1      0.824 ppm2      1.928 CV     1
 OR { 1524}
   (( segid "UBI " and resid 41   and name HB1 ))
   (  segid "UBI " and resid 71   and name HD1%)
 ASSI { 1527}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 61   and name HG2%)
      3.800     1.800     1.800 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.37707E-03 ppm1      0.450 ppm2      1.728 CV     1
 OR { 1527}
   (( segid "UBI " and resid 67   and name HG  ))
   (  segid "UBI " and resid 61   and name HG2%)
 ASSI { 1531}
   (  segid "UBI " and resid 30   and name HD1%)
   (  segid "UBI " and resid 15   and name HD2%)
      3.200     1.300     1.300 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      0.692 ppm2      0.872 CV     1
 OR { 1531}
   (  segid "UBI " and resid 13   and name HG2%)
   (  segid "UBI " and resid 15   and name HD2%)
 ASSI { 1538}
   (( segid "UBI " and resid 29   and name HD1 ))
   (  segid "UBI " and resid 15   and name HD1%)
      2.800     1.000     1.000 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.20179E-02 ppm1      0.741 ppm2      1.716 CV     1
 OR { 1538}
   (( segid "UBI " and resid 27   and name HD1 ))
   (  segid "UBI " and resid 43   and name HD1%)
 OR { 1538}
   (( segid "UBI " and resid 29   and name HG1 ))
   (  segid "UBI " and resid 15   and name HD1%)
 OR { 1538}
   (( segid "UBI " and resid 67   and name HG  ))
   (  segid "UBI " and resid 43   and name HD1%)
 ASSI { 1539}
   (( segid "UBI " and resid 67   and name HB1 ))
   (  segid "UBI " and resid 43   and name HD1%)
      3.000     1.100     1.100 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      0.742 ppm2      1.576 CV     1
 OR { 1539}
   (( segid "UBI " and resid 67   and name HB2 ))
   (  segid "UBI " and resid 43   and name HD1%)
 OR { 1539}
   (( segid "UBI " and resid 29   and name HG2 ))
   (  segid "UBI " and resid 15   and name HD1%)
 ASSI { 1541}
   (( segid "UBI " and resid 16   and name HB1 ))
   (  segid "UBI " and resid 15   and name HD1%)
      3.000     1.200     1.200 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.14364E-02 ppm1      0.740 ppm2      1.838 CV     1
 OR { 1541}
   (( segid "UBI " and resid 33   and name HB2 ))
   (  segid "UBI " and resid 15   and name HD1%)
 ASSI { 1544}
   (( segid "UBI " and resid 43   and name HG  ))
   (  segid "UBI " and resid 43   and name HD1%)
      2.500     0.800     0.800 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.41811E-02 ppm1      0.780 ppm2      1.426 CV     1
 OR { 1544}
   (( segid "UBI " and resid 15   and name HG  ))
   (  segid "UBI " and resid 15   and name HD1%)
 ASSI { 1546}
   (( segid "UBI " and resid 43   and name HB2 ))
   (  segid "UBI " and resid 43   and name HD1%)
      2.500     0.800     0.800 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.46171E-02 ppm1      0.781 ppm2      1.123 CV     1
 OR { 1546}
   (( segid "UBI " and resid 15   and name HB2 ))
   (  segid "UBI " and resid 15   and name HD1%)
 ASSI { 1550}
   (( segid "UBI " and resid 36   and name HB  ))
   (  segid "UBI " and resid 69   and name HD2%)
      3.000     1.100     1.100 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.19495E-02 ppm1      0.833 ppm2      1.392 CV     1
 OR { 1550}
   (( segid "UBI " and resid 36   and name HB  ))
   (  segid "UBI " and resid 71   and name HD1%)
 OR { 1550}
   (( segid "UBI " and resid 36   and name HG11))
   (  segid "UBI " and resid 71   and name HD1%)
 OR { 1550}
   (( segid "UBI " and resid 36   and name HG11))
   (  segid "UBI " and resid 69   and name HD2%)
 OR { 1550}
   (( segid "UBI " and resid 43   and name HG  ))
   (  segid "UBI " and resid 69   and name HD2%)
 ASSI { 1553}
   (  segid "UBI " and resid 45   and name HD% )
   (  segid "UBI " and resid 50   and name HD2%)
      2.700     0.900     0.900 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.27532E-02 ppm1      0.503 ppm2      0.746 CV     1
 OR { 1553}
   (  segid "UBI " and resid 43   and name HD1%)
   (  segid "UBI " and resid 50   and name HD2%)
 OR { 1553}
   (  segid "UBI " and resid 23   and name HG2%)
   (  segid "UBI " and resid 50   and name HD2%)
 OR { 1553}
   (  segid "UBI " and resid 43   and name HD2%)
   (  segid "UBI " and resid 50   and name HD2%)
 ASSI { 1575}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 29   and name HD2 ))
      3.100     1.200     1.200 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.13082E-02 ppm1      1.415 ppm2      0.684 CV     1
 OR { 1575}
   (  segid "UBI " and resid 15   and name HD2%)
   (( segid "UBI " and resid 29   and name HD2 ))
 OR { 1575}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 29   and name HD2 ))
 ASSI { 1583}
   (( segid "UBI " and resid 16   and name HG1 ))
   (( segid "UBI " and resid 16   and name HB2 ))
      2.000     0.500     0.500 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.12227E-01 ppm1      1.800 ppm2      2.045 CV     1
 OR { 1583}
   (( segid "UBI " and resid 37   and name HG2 ))
   (( segid "UBI " and resid 40   and name HB2 ))
 ASSI { 1588}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 67   and name HG  ))
      3.300     1.400     1.400 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.83963E-03 ppm1      1.746 ppm2      0.492 CV     1
 OR { 1588}
   (  segid "UBI " and resid 50   and name HD2%)
   (( segid "UBI " and resid 67   and name HG  ))
 ASSI { 1595}
   (( segid "UBI " and resid 29   and name HE2 ))
   (( segid "UBI " and resid 29   and name HD1 ))
      3.200     1.300     1.300 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.10175E-02 ppm1      1.756 ppm2      3.159 CV     1
 OR { 1595}
   (( segid "UBI " and resid 72   and name HD1 ))
   (( segid "UBI " and resid 72   and name HB2 ))
 OR { 1595}
   (( segid "UBI " and resid 74   and name HD1 ))
   (( segid "UBI " and resid 74   and name HB2 ))
 OR { 1595}
   (( segid "UBI " and resid 72   and name HD2 ))
   (( segid "UBI " and resid 72   and name HB2 ))
 ASSI { 1597}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 23   and name HA  ))
      3.800     1.800     1.800 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.71480E-03 ppm1      3.601 ppm2      0.670 CV     1
 OR { 1597}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 23   and name HA  ))
 ASSI { 1598}
   (  segid "UBI " and resid 56   and name HD2%)
   (( segid "UBI " and resid 19   and name HA  ))
      3.300     1.300     1.300 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.74558E-03 ppm1      3.931 ppm2      0.719 CV     1
 OR { 1598}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 19   and name HA  ))
 ASSI { 1606}
   (( segid "UBI " and resid 2    and name HB1 ))
   (( segid "UBI " and resid 2    and name HB2 ))
      1.600     0.300     0.600 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.41726E-01 ppm1      1.846 ppm2      1.610 CV     1
 OR { 1606}
   (( segid "UBI " and resid 74   and name HG2 ))
   (( segid "UBI " and resid 74   and name HB1 ))
 ASSI { 1617}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 29   and name HE2 ))
      3.200     1.300     1.300 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      3.150 ppm2      0.737 CV     1
 OR { 1617}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 33   and name HE1 ))
 OR { 1617}
   (  segid "UBI " and resid 45   and name HD% )
   (( segid "UBI " and resid 48   and name HE2 ))
 ASSI { 1627}
   (( segid "UBI " and resid 50   and name HB2 ))
   (  segid "UBI " and resid 23   and name HG2%)
      2.700     0.900     0.900 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.33346E-02 ppm1      0.752 ppm2      0.969 CV     1
 OR { 1627}
   (  segid "UBI " and resid 26   and name HG2%)
   (  segid "UBI " and resid 23   and name HG2%)
 ASSI { 1639}
   (  segid "UBI " and resid 43   and name HD2%)
   (( segid "UBI " and resid 27   and name HA  ))
      3.300     1.400     1.400 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.81484E-03 ppm1      4.612 ppm2      0.754 CV     1
 OR { 1639}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 27   and name HA  ))
 OR { 1639}
   (  segid "UBI " and resid 15   and name HD1%)
   (( segid "UBI " and resid 27   and name HA  ))
 ASSI { 1649}
   (( segid "UBI " and resid 67   and name HA  ))
   (  segid "UBI " and resid 66   and name HG2%)
      3.700     1.700     1.700 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.28558E-03 ppm1      0.858 ppm2      5.051 CV     1
 OR { 1649}
   (( segid "UBI " and resid 71   and name HA  ))
   (  segid "UBI " and resid 70   and name HG2%)
 ASSI { 1654}
   (  segid "UBI " and resid 67   and name HD1%)
   (( segid "UBI " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.11714E-02 ppm1      3.098 ppm2      0.617 CV     1
 OR { 1654}
   (  segid "UBI " and resid 44   and name HG2%)
   (( segid "UBI " and resid 45   and name HB2 ))
 ASSI { 1661}
   (( segid "UBI " and resid 61   and name HG11))
   (  segid "UBI " and resid 56   and name HD1%)
      3.500     1.500     1.500 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.75929E-03 ppm1      0.599 ppm2      1.108 CV     1
 OR { 1661}
   (  segid "UBI " and resid 55   and name HG2%)
   (  segid "UBI " and resid 56   and name HD1%)
 ASSI { 1666}
   (( segid "UBI " and resid 29   and name HG1 ))
   (( segid "UBI " and resid 30   and name HA  ))
      3.300     3.300     2.700 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.11030E-02 ppm1      3.487 ppm2      1.731 CV     1
 OR { 1666}
   (( segid "UBI " and resid 27   and name HD1 ))
   (( segid "UBI " and resid 30   and name HA  ))
 OR { 1666}
   (( segid "UBI " and resid 27   and name HD2 ))
   (( segid "UBI " and resid 30   and name HA  ))
 ASSI { 1669}
   (( segid "UBI " and resid 69   and name HB2 ))
   (( segid "UBI " and resid 5    and name HB  ))
      3.100     1.200     1.200 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.12056E-02 ppm1      1.886 ppm2      1.061 CV     1
 OR { 1669}
   (( segid "UBI " and resid 13   and name HG11))
   (( segid "UBI " and resid 5    and name HB  ))
 OR { 1669}
   (  segid "UBI " and resid 12   and name HG2%)
   (( segid "UBI " and resid 5    and name HB  ))
 ASSI { 1672}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 3    and name HB  ))
      3.600     1.600     1.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.62844E-03 ppm1      1.740 ppm2      0.455 CV     1
 OR { 1672}
   (  segid "UBI " and resid 4    and name HD% )
   (( segid "UBI " and resid 3    and name HB  ))
 ASSI { 1677}
   (( segid "UBI " and resid 27   and name HG1 ))
   (( segid "UBI " and resid 27   and name HB1 ))
      2.500     0.800     0.800 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.48737E-02 ppm1      2.093 ppm2      1.565 CV     1
 OR { 1677}
   (( segid "UBI " and resid 29   and name HG2 ))
   (( segid "UBI " and resid 29   and name HB2 ))
 OR { 1677}
   (( segid "UBI " and resid 27   and name HG2 ))
   (( segid "UBI " and resid 27   and name HB1 ))
 ASSI { 1683}
   (( segid "UBI " and resid 31   and name HG1 ))
   (( segid "UBI " and resid 37   and name HA  ))
      3.600     1.600     1.600 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.49677E-03 ppm1      4.613 ppm2      2.255 CV     1
 OR { 1683}
   (( segid "UBI " and resid 38   and name HB1 ))
   (( segid "UBI " and resid 37   and name HA  ))
 ASSI { 1692}
   (( segid "UBI " and resid 3    and name HB  ))
   (( segid "UBI " and resid 2    and name HA  ))
      2.500     2.500     3.500 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.63186E-02 ppm1      5.264 ppm2      1.691 CV     1
 OR { 1692}
   (  segid "UBI " and resid 1    and name HE% )
   (( segid "UBI " and resid 2    and name HA  ))
 ASSI { 1736}
   (( segid "UBI " and resid 36   and name HG11))
   (( segid "UBI " and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.24795E-02 ppm1      2.262 ppm2      1.400 CV     1
 OR { 1736}
   (( segid "UBI " and resid 27   and name HB2 ))
   (( segid "UBI " and resid 38   and name HB1 ))
 ASSI { 1738}
   (( segid "UBI " and resid 2    and name HG2 ))
   (( segid "UBI " and resid 2    and name HG1 ))
      1.700     0.400     0.500 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.30781E-01 ppm1      2.215 ppm2      1.863 CV     1
 OR { 1738}
   (( segid "UBI " and resid 31   and name HG2 ))
   (( segid "UBI " and resid 31   and name HG1 ))
 ASSI { 1745}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 27   and name HD2 ))
      2.500     0.800     0.800 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.34286E-02 ppm1      1.702 ppm2      2.075 CV     1
 OR { 1745}
   (( segid "UBI " and resid 29   and name HB2 ))
   (( segid "UBI " and resid 29   and name HD1 ))
 OR { 1745}
   (( segid "UBI " and resid 27   and name HB1 ))
   (( segid "UBI " and resid 27   and name HD1 ))
 ASSI { 1753}
   (  segid "UBI " and resid 61   and name HG2%)
   (( segid "UBI " and resid 56   and name HB1 ))
      3.600     1.600     1.600 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.70198E-03 ppm1      1.248 ppm2      0.447 CV     1
 OR { 1753}
   (  segid "UBI " and resid 17   and name HG2%)
   (( segid "UBI " and resid 56   and name HB1 ))
 ASSI { 1759}
   (  segid "UBI " and resid 5    and name HG2%)
   (( segid "UBI " and resid 3    and name HG11))
      2.900     1.100     1.100 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.18297E-02 ppm1      1.026 ppm2      0.685 CV     1
 OR { 1759}
   (  segid "UBI " and resid 17   and name HG1%)
   (( segid "UBI " and resid 3    and name HG11))
 OR { 1759}
   (  segid "UBI " and resid 26   and name HG1%)
   (( segid "UBI " and resid 3    and name HG11))
 ASSI { 1766}
   (( segid "UBI " and resid 69   and name HB1 ))
   (  segid "UBI " and resid 69   and name HD2%)
      2.400     0.700     0.700 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.49421E-02 ppm1      0.832 ppm2      1.500 CV     1
 OR { 1766}
   (( segid "UBI " and resid 71   and name HB2 ))
   (  segid "UBI " and resid 71   and name HD1%)
 ASSI { 1769}
   (  segid "UBI " and resid 23   and name HG2%)
   (( segid "UBI " and resid 50   and name HB2 ))
      3.700     1.800     1.800 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.44204E-03 ppm1      0.991 ppm2      0.746 CV     1
 OR { 1769}
   (  segid "UBI " and resid 43   and name HD1%)
   (( segid "UBI " and resid 50   and name HB2 ))
 ASSI { 1773}
   (  segid "UBI " and resid 69   and name HD1%)
   (( segid "UBI " and resid 7    and name HB  ))
      4.200     2.200     1.800 peak  1773 spectrum    1 weight  0.10000E+01 volume  0.25907E-03 ppm1      4.810 ppm2      0.687 CV     1
 OR { 1773}
   (  segid "UBI " and resid 5    and name HG1%)
   (( segid "UBI " and resid 7    and name HB  ))
 ASSI { 1775}
   (( segid "UBI " and resid 23   and name HG12))
   (  segid "UBI " and resid 50   and name HD2%)
      4.400     2.400     1.600 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.19495E-03 ppm1      0.503 ppm2      1.839 CV     1
 OR { 1775}
   (( segid "UBI " and resid 48   and name HB2 ))
   (  segid "UBI " and resid 50   and name HD2%)
 OR { 1775}
   (( segid "UBI " and resid 48   and name HB1 ))
   (  segid "UBI " and resid 50   and name HD2%)
 ASSI { 1783}
   (( segid "UBI " and resid 29   and name HD1 ))
   (  segid "UBI " and resid 17   and name HG1%)
      2.900     1.100     1.100 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.19324E-02 ppm1      0.682 ppm2      1.751 CV     1
 OR { 1783}
   (( segid "UBI " and resid 29   and name HG1 ))
   (  segid "UBI " and resid 17   and name HG1%)
 OR { 1783}
   (( segid "UBI " and resid 3    and name HB  ))
   (  segid "UBI " and resid 17   and name HG1%)
 OR { 1783}
   (( segid "UBI " and resid 16   and name HB2 ))
   (  segid "UBI " and resid 17   and name HG1%)
 ASSI {   11}
   (  segid "UBI " and resid 67   and name HD1%)
   (  segid "UBI " and resid 45   and name HD% )
      3.600     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.65863E-03 ppm1      7.317 ppm2      0.616 CV     1
 OR {   11}
   (  segid "UBI " and resid 44   and name HG2%)
   (  segid "UBI " and resid 45   and name HD% )
 ASSI {   26}
   (( segid "UBI " and resid 54   and name HG1 ))
   (  segid "UBI " and resid 59   and name HE% )
      3.300     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.92229E-03 ppm1      6.831 ppm2      1.827 CV     1
 OR {   26}
   (( segid "UBI " and resid 23   and name HG12))
   (  segid "UBI " and resid 59   and name HE% )
 ASSI {   28}
   (( segid "UIM " and resid 256  and name HD2 ))
   (( segid "UIM " and resid 256  and name HG2 ))
      3.000     1.100     1.100 peak    28 spectrum    1 weight  0.10000E+01 volume  0.14392E-02 ppm1      3.523 ppm2      2.009 CV     1
 OR {   28}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 267  and name HB  ))
 ASSI {   36}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 260  and name HG1 ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.98680E-02 ppm1      4.020 ppm2      2.297 CV     1
 OR {   36}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 260  and name HG2 ))
 OR {   36}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 259  and name HG1 ))
 OR {   36}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 259  and name HG2 ))
 ASSI {   37}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 259  and name HB2 ))
      1.900     0.500     0.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.29388E-01 ppm1      4.020 ppm2      2.082 CV     1
 OR {   37}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 260  and name HB2 ))
 OR {   37}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 ASSI {   38}
   (( segid "UIM " and resid 259  and name HB2 ))
   (( segid "UIM " and resid 259  and name HA  ))
      2.000     0.500     0.500 peak    38 spectrum    1 weight  0.10000E+01 volume  0.24002E-01 ppm1      2.054 ppm2      4.051 CV     1
 OR {   38}
   (( segid "UIM " and resid 260  and name HB1 ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {   38}
   (( segid "UIM " and resid 259  and name HB1 ))
   (( segid "UIM " and resid 259  and name HA  ))
 ASSI {   44}
   (( segid "UIM " and resid 257  and name HB2 ))
   (( segid "UIM " and resid 257  and name HG1 ))
      1.800     0.400     0.400 peak    44 spectrum    1 weight  0.10000E+01 volume  0.48262E-01 ppm1      2.027 ppm2      2.300 CV     1
 OR {   44}
   (( segid "UIM " and resid 260  and name HB1 ))
   (( segid "UIM " and resid 260  and name HG2 ))
 OR {   44}
   (( segid "UIM " and resid 261  and name HB2 ))
   (( segid "UIM " and resid 261  and name HG2 ))
 OR {   44}
   (( segid "UIM " and resid 260  and name HB1 ))
   (( segid "UIM " and resid 260  and name HG1 ))
 OR {   44}
   (( segid "UIM " and resid 257  and name HB2 ))
   (( segid "UIM " and resid 257  and name HG2 ))
 ASSI {   45}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 266  and name HA  ))
      3.500     1.500     1.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      3.551 ppm2      4.038 CV     1
 OR {   45}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 265  and name HA  ))
 ASSI {   47}
   (( segid "UIM " and resid 259  and name HB2 ))
   (( segid "UIM " and resid 259  and name HA  ))
      2.200     0.600     0.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.13272E-01 ppm1      2.057 ppm2      3.994 CV     1
 OR {   47}
   (( segid "UIM " and resid 260  and name HB1 ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {   47}
   (( segid "UIM " and resid 268  and name HB2 ))
   (( segid "UIM " and resid 268  and name HA  ))
 OR {   47}
   (( segid "UIM " and resid 259  and name HB1 ))
   (( segid "UIM " and resid 259  and name HA  ))
 ASSI {   50}
   (( segid "UIM " and resid 261  and name HG2 ))
   (( segid "UIM " and resid 261  and name HB1 ))
      1.800     0.400     0.400 peak    50 spectrum    1 weight  0.10000E+01 volume  0.49124E-01 ppm1      2.284 ppm2      2.080 CV     1
 OR {   50}
   (( segid "UIM " and resid 257  and name HG1 ))
   (( segid "UIM " and resid 257  and name HB2 ))
 OR {   50}
   (( segid "UIM " and resid 260  and name HG1 ))
   (( segid "UIM " and resid 260  and name HB2 ))
 OR {   50}
   (( segid "UIM " and resid 259  and name HG2 ))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   50}
   (( segid "UIM " and resid 259  and name HG1 ))
   (( segid "UIM " and resid 259  and name HB2 ))
 OR {   50}
   (( segid "UIM " and resid 259  and name HG2 ))
   (( segid "UIM " and resid 259  and name HB2 ))
 OR {   50}
   (( segid "UIM " and resid 259  and name HG1 ))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   50}
   (( segid "UIM " and resid 261  and name HG1 ))
   (( segid "UIM " and resid 261  and name HB1 ))
 OR {   50}
   (( segid "UIM " and resid 257  and name HG2 ))
   (( segid "UIM " and resid 257  and name HB2 ))
 ASSI {   55}
   (( segid "UIM " and resid 259  and name HB2 ))
   (  segid "UIM " and resid 263  and name HD1%)
      3.900     1.900     1.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.70239E-03 ppm1      2.053 ppm2      0.745 CV     1
 OR {   55}
   (( segid "UIM " and resid 259  and name HB1 ))
   (  segid "UIM " and resid 263  and name HD1%)
 OR {   55}
   (( segid "UIM " and resid 268  and name HB2 ))
   (  segid "UIM " and resid 271  and name HD1%)
 OR {   55}
   (( segid "UIM " and resid 260  and name HB1 ))
   (  segid "UIM " and resid 263  and name HD1%)
 ASSI {   56}
   (( segid "UIM " and resid 268  and name HB2 ))
   (  segid "UIM " and resid 269  and name HD2%)
      4.000     2.000     2.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.65068E-03 ppm1      2.053 ppm2      0.866 CV     1
 OR {   56}
   (( segid "UIM " and resid 268  and name HB2 ))
   (  segid "UIM " and resid 267  and name HG2%)
 OR {   56}
   (( segid "UIM " and resid 261  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD2%)
 OR {   56}
   (( segid "UIM " and resid 268  and name HB2 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {   56}
   (( segid "UIM " and resid 260  and name HB1 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {   56}
   (( segid "UIM " and resid 259  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD2%)
 OR {   56}
   (( segid "UIM " and resid 259  and name HB1 ))
   (  segid "UIM " and resid 262  and name HD2%)
 ASSI {   57}
   (( segid "UIM " and resid 268  and name HB2 ))
   (( segid "UIM " and resid 269  and name HG  ))
      3.600     1.600     1.600 peak    57 spectrum    1 weight  0.10000E+01 volume  0.97388E-03 ppm1      2.060 ppm2      1.441 CV     1
 OR {   57}
   (( segid "UIM " and resid 268  and name HB2 ))
   (( segid "UIM " and resid 265  and name HG2 ))
 OR {   57}
   (( segid "UIM " and resid 268  and name HB2 ))
   (  segid "UIM " and resid 266  and name HB% )
 ASSI {   58}
   (( segid "UIM " and resid 260  and name HB1 ))
   (( segid "UIM " and resid 264  and name HG2 ))
      3.500     1.600     1.600 peak    58 spectrum    1 weight  0.10000E+01 volume  0.14522E-02 ppm1      2.054 ppm2      1.544 CV     1
 OR {   58}
   (( segid "UIM " and resid 261  and name HB2 ))
   (( segid "UIM " and resid 264  and name HG2 ))
 OR {   58}
   (( segid "UIM " and resid 259  and name HB2 ))
   (( segid "UIM " and resid 262  and name HB1 ))
 OR {   58}
   (( segid "UIM " and resid 259  and name HB1 ))
   (( segid "UIM " and resid 262  and name HB1 ))
 OR {   58}
   (( segid "UIM " and resid 261  and name HB2 ))
   (( segid "UIM " and resid 262  and name HB1 ))
 OR {   58}
   (( segid "UIM " and resid 268  and name HB2 ))
   (( segid "UIM " and resid 271  and name HB1 ))
 ASSI {   59}
   (( segid "UIM " and resid 263  and name HG11))
   (( segid "UIM " and resid 259  and name HB2 ))
      3.500     1.500     1.500 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12970E-02 ppm1      1.656 ppm2      2.094 CV     1
 OR {   59}
   (( segid "UIM " and resid 263  and name HG11))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   59}
   (( segid "UIM " and resid 269  and name HB2 ))
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {   59}
   (( segid "UIM " and resid 269  and name HB1 ))
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {   59}
   (( segid "UIM " and resid 269  and name HB1 ))
   (( segid "UIM " and resid 273  and name HB1 ))
 OR {   59}
   (( segid "UIM " and resid 267  and name HG11))
   (( segid "UIM " and resid 268  and name HB2 ))
 ASSI {   65}
   (( segid "UIM " and resid 272  and name HB2 ))
   (( segid "UIM " and resid 272  and name HG2 ))
      2.100     0.600     0.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.13617E-01 ppm1      1.869 ppm2      1.457 CV     1
 OR {   65}
   (( segid "UIM " and resid 265  and name HB2 ))
   (( segid "UIM " and resid 265  and name HG1 ))
 OR {   65}
   (( segid "UIM " and resid 265  and name HB1 ))
   (( segid "UIM " and resid 265  and name HG2 ))
 OR {   65}
   (( segid "UIM " and resid 272  and name HB1 ))
   (( segid "UIM " and resid 272  and name HG2 ))
 OR {   65}
   (( segid "UIM " and resid 265  and name HB1 ))
   (( segid "UIM " and resid 265  and name HG1 ))
 ASSI {   66}
   (( segid "UIM " and resid 262  and name HB2 ))
   (( segid "UIM " and resid 262  and name HB1 ))
      1.700     0.300     0.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.30293E-01 ppm1      1.881 ppm2      1.523 CV     1
 OR {   66}
   (( segid "UIM " and resid 272  and name HB1 ))
   (( segid "UIM " and resid 272  and name HG1 ))
 ASSI {   68}
   (( segid "UIM " and resid 271  and name HB1 ))
   (( segid "UIM " and resid 271  and name HB2 ))
      1.500     0.300     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.54295E-01 ppm1      1.534 ppm2      1.758 CV     1
 OR {   68}
   (( segid "UIM " and resid 264  and name HG2 ))
   (( segid "UIM " and resid 264  and name HG1 ))
 ASSI {   72}
   (( segid "UIM " and resid 271  and name HB1 ))
   (  segid "UIM " and resid 271  and name HD2%)
      2.200     0.600     0.600 peak    72 spectrum    1 weight  0.10000E+01 volume  0.10773E-01 ppm1      1.527 ppm2      0.870 CV     1
 OR {   72}
   (( segid "UIM " and resid 262  and name HB1 ))
   (  segid "UIM " and resid 262  and name HD2%)
 ASSI {   77}
   (( segid "UIM " and resid 264  and name HG1 ))
   (( segid "UIM " and resid 264  and name HB2 ))
      1.800     0.400     0.400 peak    77 spectrum    1 weight  0.10000E+01 volume  0.36154E-01 ppm1      1.730 ppm2      1.916 CV     1
 OR {   77}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 262  and name HB2 ))
 OR {   77}
   (( segid "UIM " and resid 264  and name HG1 ))
   (( segid "UIM " and resid 264  and name HB1 ))
 ASSI {   79}
   (( segid "UIM " and resid 262  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD2%)
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.87906E-02 ppm1      1.884 ppm2      0.866 CV     1
 OR {   79}
   (( segid "UIM " and resid 264  and name HB1 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {   79}
   (( segid "UIM " and resid 265  and name HB1 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {   79}
   (( segid "UIM " and resid 264  and name HB2 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {   79}
   (( segid "UIM " and resid 265  and name HB2 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {   79}
   (( segid "UIM " and resid 264  and name HB1 ))
   (  segid "UIM " and resid 267  and name HG2%)
 ASSI {   80}
   (( segid "UIM " and resid 264  and name HB2 ))
   (( segid "UIM " and resid 264  and name HD2 ))
      2.500     0.800     0.800 peak    80 spectrum    1 weight  0.10000E+01 volume  0.65930E-02 ppm1      1.889 ppm2      3.206 CV     1
 OR {   80}
   (( segid "UIM " and resid 264  and name HB1 ))
   (( segid "UIM " and resid 264  and name HD2 ))
 OR {   80}
   (( segid "UIM " and resid 264  and name HB1 ))
   (( segid "UIM " and resid 264  and name HD1 ))
 OR {   80}
   (( segid "UIM " and resid 275  and name HB2 ))
   (( segid "UIM " and resid 275  and name HD1 ))
 OR {   80}
   (( segid "UIM " and resid 264  and name HB2 ))
   (( segid "UIM " and resid 264  and name HD1 ))
 ASSI {   83}
   (( segid "UIM " and resid 262  and name HB1 ))
   (( segid "UIM " and resid 262  and name HA  ))
      2.300     0.700     0.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.87047E-02 ppm1      1.498 ppm2      4.062 CV     1
 OR {   83}
   (( segid "UIM " and resid 269  and name HG  ))
   (( segid "UIM " and resid 269  and name HA  ))
 OR {   83}
   (( segid "UIM " and resid 269  and name HG  ))
   (( segid "UIM " and resid 266  and name HA  ))
 ASSI {   84}
   (( segid "UIM " and resid 264  and name HG2 ))
   (( segid "UIM " and resid 264  and name HA  ))
      3.700     1.700     1.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.91781E-03 ppm1      1.538 ppm2      3.963 CV     1
 OR {   84}
   (( segid "UIM " and resid 271  and name HB1 ))
   (( segid "UIM " and resid 268  and name HA  ))
 ASSI {   86}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 262  and name HA  ))
      2.900     1.000     1.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.29862E-02 ppm1      1.728 ppm2      4.055 CV     1
 OR {   86}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 259  and name HA  ))
 ASSI {   87}
   (( segid "UIM " and resid 265  and name HB2 ))
   (( segid "UIM " and resid 265  and name HA  ))
      2.000     0.500     0.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.23873E-01 ppm1      1.877 ppm2      4.058 CV     1
 OR {   87}
   (( segid "UIM " and resid 265  and name HB1 ))
   (( segid "UIM " and resid 265  and name HA  ))
 OR {   87}
   (( segid "UIM " and resid 265  and name HB2 ))
   (( segid "UIM " and resid 262  and name HA  ))
 OR {   87}
   (( segid "UIM " and resid 262  and name HB2 ))
   (( segid "UIM " and resid 262  and name HA  ))
 OR {   87}
   (( segid "UIM " and resid 262  and name HB2 ))
   (( segid "UIM " and resid 259  and name HA  ))
 OR {   87}
   (( segid "UIM " and resid 265  and name HB1 ))
   (( segid "UIM " and resid 262  and name HA  ))
 ASSI {   94}
   (( segid "UIM " and resid 263  and name HG11))
   (( segid "UIM " and resid 263  and name HB  ))
      2.000     0.500     0.500 peak    94 spectrum    1 weight  0.10000E+01 volume  0.12281E-01 ppm1      1.662 ppm2      1.984 CV     1
 OR {   94}
   (( segid "UIM " and resid 267  and name HG11))
   (( segid "UIM " and resid 267  and name HB  ))
 ASSI {   95}
   (( segid "UIM " and resid 275  and name HB2 ))
   (( segid "UIM " and resid 275  and name HG1 ))
      2.000     0.500     0.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.25208E-01 ppm1      1.902 ppm2      1.678 CV     1
 OR {   95}
   (( segid "UIM " and resid 275  and name HB2 ))
   (( segid "UIM " and resid 275  and name HG2 ))
 OR {   95}
   (( segid "UIM " and resid 272  and name HB1 ))
   (( segid "UIM " and resid 272  and name HD2 ))
 OR {   95}
   (( segid "UIM " and resid 272  and name HB2 ))
   (( segid "UIM " and resid 272  and name HD1 ))
 OR {   95}
   (( segid "UIM " and resid 272  and name HB2 ))
   (( segid "UIM " and resid 272  and name HD2 ))
 ASSI {   97}
   (  segid "UIM " and resid 266  and name HB% )
   (( segid "UIM " and resid 267  and name HG11))
      2.300     2.300     3.700 peak    97 spectrum    1 weight  0.10000E+01 volume  0.15987E-01 ppm1      1.396 ppm2      1.680 CV     1
 OR {   97}
   (  segid "UIM " and resid 266  and name HB% )
   (( segid "UIM " and resid 263  and name HG11))
 ASSI {  101}
   (( segid "UIM " and resid 269  and name HB1 ))
   (( segid "UIM " and resid 269  and name HA  ))
      2.500     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.62913E-02 ppm1      1.649 ppm2      4.057 CV     1
 OR {  101}
   (( segid "UIM " and resid 269  and name HB2 ))
   (( segid "UIM " and resid 269  and name HA  ))
 OR {  101}
   (( segid "UIM " and resid 269  and name HB2 ))
   (( segid "UIM " and resid 266  and name HA  ))
 ASSI {  106}
   (( segid "UIM " and resid 263  and name HB  ))
   (( segid "UIM " and resid 263  and name HA  ))
      3.700     1.700     1.700 peak   106 spectrum    1 weight  0.10000E+01 volume  0.53003E-03 ppm1      1.912 ppm2      3.708 CV     1
 OR {  106}
   (( segid "UIM " and resid 262  and name HB2 ))
   (( segid "UIM " and resid 263  and name HA  ))
 ASSI {  108}
   (  segid "UIM " and resid 267  and name HG2%)
   (( segid "UIM " and resid 268  and name HG2 ))
      3.400     1.500     1.500 peak   108 spectrum    1 weight  0.10000E+01 volume  0.84456E-03 ppm1      0.840 ppm2      2.363 CV     1
 OR {  108}
   (  segid "UIM " and resid 267  and name HG2%)
   (( segid "UIM " and resid 268  and name HG1 ))
 OR {  108}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 268  and name HG2 ))
 OR {  108}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 268  and name HG1 ))
 OR {  108}
   (  segid "UIM " and resid 269  and name HD1%)
   (( segid "UIM " and resid 273  and name HG2 ))
 OR {  108}
   (  segid "UIM " and resid 269  and name HD1%)
   (( segid "UIM " and resid 273  and name HG1 ))
 ASSI {  109}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HG2 ))
      3.200     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.11419E-02 ppm1      0.844 ppm2      2.306 CV     1
 OR {  109}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HG1 ))
 OR {  109}
   (  segid "UIM " and resid 263  and name HG2%)
   (( segid "UIM " and resid 260  and name HG1 ))
 OR {  109}
   (  segid "UIM " and resid 263  and name HG2%)
   (( segid "UIM " and resid 259  and name HG1 ))
 OR {  109}
   (  segid "UIM " and resid 263  and name HG2%)
   (( segid "UIM " and resid 259  and name HG2 ))
 OR {  109}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 259  and name HG1 ))
 ASSI {  111}
   (( segid "UIM " and resid 263  and name HG11))
   (( segid "UIM " and resid 263  and name HB  ))
      2.000     0.500     0.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.18874E-01 ppm1      1.638 ppm2      1.925 CV     1
 OR {  111}
   (( segid "UIM " and resid 275  and name HG1 ))
   (( segid "UIM " and resid 275  and name HB2 ))
 OR {  111}
   (( segid "UIM " and resid 275  and name HG2 ))
   (( segid "UIM " and resid 275  and name HB2 ))
 OR {  111}
   (( segid "UIM " and resid 272  and name HD2 ))
   (( segid "UIM " and resid 272  and name HB1 ))
 OR {  111}
   (( segid "UIM " and resid 272  and name HD1 ))
   (( segid "UIM " and resid 272  and name HB2 ))
 OR {  111}
   (( segid "UIM " and resid 272  and name HD2 ))
   (( segid "UIM " and resid 272  and name HB2 ))
 ASSI {  119}
   (( segid "UIM " and resid 267  and name HB  ))
   (  segid "UIM " and resid 267  and name HG2%)
      1.900     0.400     0.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.23097E-01 ppm1      1.944 ppm2      0.866 CV     1
 OR {  119}
   (( segid "UIM " and resid 263  and name HB  ))
   (  segid "UIM " and resid 263  and name HG2%)
 ASSI {  121}
   (( segid "UIM " and resid 271  and name HG  ))
   (  segid "UIM " and resid 271  and name HD2%)
      1.800     0.400     0.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.34516E-01 ppm1      1.629 ppm2      0.871 CV     1
 OR {  121}
   (( segid "UIM " and resid 269  and name HB2 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  121}
   (( segid "UIM " and resid 269  and name HB1 ))
   (  segid "UIM " and resid 269  and name HD2%)
 OR {  121}
   (( segid "UIM " and resid 269  and name HB1 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  121}
   (( segid "UIM " and resid 269  and name HB2 ))
   (  segid "UIM " and resid 269  and name HD2%)
 ASSI {  132}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 271  and name HB1 ))
      2.600     0.800     0.800 peak   132 spectrum    1 weight  0.10000E+01 volume  0.39170E-02 ppm1      0.896 ppm2      1.524 CV     1
 OR {  132}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 262  and name HB1 ))
 OR {  132}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HB1 ))
 ASSI {  134}
   (  segid "UIM " and resid 269  and name HD1%)
   (( segid "UIM " and resid 269  and name HB2 ))
      1.900     0.500     0.500 peak   134 spectrum    1 weight  0.10000E+01 volume  0.30121E-01 ppm1      0.840 ppm2      1.657 CV     1
 OR {  134}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 269  and name HB1 ))
 OR {  134}
   (  segid "UIM " and resid 269  and name HD1%)
   (( segid "UIM " and resid 269  and name HB1 ))
 OR {  134}
   (  segid "UIM " and resid 267  and name HG2%)
   (( segid "UIM " and resid 267  and name HG11))
 OR {  134}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 269  and name HB2 ))
 ASSI {  135}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HG  ))
      2.300     0.600     0.600 peak   135 spectrum    1 weight  0.10000E+01 volume  0.10859E-01 ppm1      0.840 ppm2      1.762 CV     1
 OR {  135}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 271  and name HB2 ))
 ASSI {  136}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 263  and name HB  ))
      2.600     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.52571E-02 ppm1      0.747 ppm2      1.981 CV     1
 OR {  136}
   (  segid "UIM " and resid 267  and name HD1%)
   (( segid "UIM " and resid 267  and name HB  ))
 ASSI {  138}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 263  and name HG11))
      2.100     0.500     0.500 peak   138 spectrum    1 weight  0.10000E+01 volume  0.11333E-01 ppm1      0.757 ppm2      1.639 CV     1
 OR {  138}
   (  segid "UIM " and resid 271  and name HD1%)
   (( segid "UIM " and resid 271  and name HG  ))
 ASSI {  140}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HB1 ))
      3.300     1.400     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      0.840 ppm2      2.084 CV     1
 OR {  140}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {  140}
   (  segid "UIM " and resid 267  and name HG2%)
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {  140}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 259  and name HB2 ))
 OR {  140}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {  140}
   (  segid "UIM " and resid 263  and name HG2%)
   (( segid "UIM " and resid 259  and name HB2 ))
 ASSI {  146}
   (  segid "UIM " and resid 269  and name HD2%)
   (( segid "UIM " and resid 269  and name HA  ))
      2.100     0.600     0.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.17495E-01 ppm1      0.836 ppm2      4.057 CV     1
 OR {  146}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 262  and name HA  ))
 OR {  146}
   (  segid "UIM " and resid 269  and name HD1%)
   (( segid "UIM " and resid 266  and name HA  ))
 ASSI {  149}
   (  segid "UIM " and resid 271  and name HD1%)
   (( segid "UIM " and resid 268  and name HA  ))
      3.100     1.200     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.18702E-02 ppm1      0.754 ppm2      3.962 CV     1
 OR {  149}
   (  segid "UIM " and resid 267  and name HD1%)
   (( segid "UIM " and resid 264  and name HA  ))
 ASSI {  150}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 274  and name HB2 ))
      4.500     2.600     1.500 peak   150 spectrum    1 weight  0.10000E+01 volume  0.27018E-03 ppm1      0.845 ppm2      3.841 CV     1
 OR {  150}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 270  and name HB1 ))
 OR {  150}
   (  segid "UIM " and resid 267  and name HG2%)
   (( segid "UIM " and resid 270  and name HB1 ))
 OR {  150}
   (  segid "UIM " and resid 271  and name HD2%)
   (( segid "UIM " and resid 274  and name HB1 ))
 ASSI {  156}
   (( segid "UIM " and resid 262  and name HA  ))
   (  segid "UIM " and resid 262  and name HD2%)
      2.000     0.500     0.500 peak   156 spectrum    1 weight  0.10000E+01 volume  0.22019E-01 ppm1      4.026 ppm2      0.869 CV     1
 OR {  156}
   (( segid "UIM " and resid 266  and name HA  ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  156}
   (( segid "UIM " and resid 260  and name HA  ))
   (  segid "UIM " and resid 263  and name HG2%)
 ASSI {  157}
   (( segid "UIM " and resid 262  and name HA  ))
   (  segid "UIM " and resid 262  and name HD1%)
      2.400     0.700     0.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.12367E-01 ppm1      4.023 ppm2      0.922 CV     1
 OR {  157}
   (( segid "UIM " and resid 259  and name HA  ))
   (  segid "UIM " and resid 262  and name HD1%)
 ASSI {  158}
   (( segid "UIM " and resid 264  and name HA  ))
   (  segid "UIM " and resid 263  and name HG2%)
      2.400     0.700     0.700 peak   158 spectrum    1 weight  0.10000E+01 volume  0.96955E-02 ppm1      3.964 ppm2      0.867 CV     1
 OR {  158}
   (( segid "UIM " and resid 268  and name HA  ))
   (  segid "UIM " and resid 267  and name HG2%)
 OR {  158}
   (( segid "UIM " and resid 264  and name HA  ))
   (  segid "UIM " and resid 267  and name HG2%)
 OR {  158}
   (( segid "UIM " and resid 268  and name HA  ))
   (  segid "UIM " and resid 271  and name HD2%)
 ASSI {  161}
   (( segid "UIM " and resid 260  and name HA  ))
   (  segid "UIM " and resid 263  and name HD1%)
      2.900     1.100     1.100 peak   161 spectrum    1 weight  0.10000E+01 volume  0.27664E-02 ppm1      4.009 ppm2      0.740 CV     1
 OR {  161}
   (( segid "UIM " and resid 259  and name HA  ))
   (  segid "UIM " and resid 263  and name HD1%)
 ASSI {  175}
   (( segid "UIM " and resid 266  and name HA  ))
   (  segid "UIM " and resid 266  and name HB% )
      2.100     0.500     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16461E-01 ppm1      4.019 ppm2      1.430 CV     1
 OR {  175}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HG1 ))
 OR {  175}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HG2 ))
 ASSI {  177}
   (( segid "UIM " and resid 266  and name HA  ))
   (( segid "UIM " and resid 269  and name HB2 ))
      2.600     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.58173E-02 ppm1      4.020 ppm2      1.613 CV     1
 OR {  177}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 263  and name HG11))
 OR {  177}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 265  and name HD2 ))
 OR {  177}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HD2 ))
 OR {  177}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HD1 ))
 OR {  177}
   (( segid "UIM " and resid 266  and name HA  ))
   (( segid "UIM " and resid 269  and name HB1 ))
 ASSI {  178}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 263  and name HG11))
      2.700     2.700     3.300 peak   178 spectrum    1 weight  0.10000E+01 volume  0.45246E-02 ppm1      4.020 ppm2      1.681 CV     1
 OR {  178}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 263  and name HG11))
 OR {  178}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 263  and name HG11))
 ASSI {  179}
   (( segid "UIM " and resid 269  and name HA  ))
   (( segid "UIM " and resid 269  and name HB1 ))
      2.300     0.700     0.700 peak   179 spectrum    1 weight  0.10000E+01 volume  0.89631E-02 ppm1      4.069 ppm2      1.623 CV     1
 OR {  179}
   (( segid "UIM " and resid 269  and name HA  ))
   (( segid "UIM " and resid 269  and name HB2 ))
 OR {  179}
   (( segid "UIM " and resid 266  and name HA  ))
   (( segid "UIM " and resid 269  and name HB2 ))
 OR {  179}
   (( segid "UIM " and resid 266  and name HA  ))
   (( segid "UIM " and resid 269  and name HB1 ))
 ASSI {  180}
   (( segid "UIM " and resid 261  and name HA  ))
   (( segid "UIM " and resid 264  and name HG2 ))
      2.900     1.100     1.100 peak   180 spectrum    1 weight  0.10000E+01 volume  0.27492E-02 ppm1      4.131 ppm2      1.553 CV     1
 OR {  180}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HG1 ))
 ASSI {  182}
   (( segid "UIM " and resid 271  and name HA  ))
   (( segid "UIM " and resid 271  and name HG  ))
      2.700     0.900     0.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.44815E-02 ppm1      4.191 ppm2      1.634 CV     1
 OR {  182}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 269  and name HB2 ))
 ASSI {  183}
   (( segid "UIM " and resid 271  and name HA  ))
   (( segid "UIM " and resid 271  and name HB1 ))
      2.300     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.79722E-02 ppm1      4.188 ppm2      1.562 CV     1
 OR {  183}
   (( segid "UIM " and resid 272  and name HA  ))
   (( segid "UIM " and resid 272  and name HG1 ))
 ASSI {  186}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 271  and name HB2 ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.35507E-02 ppm1      3.964 ppm2      1.771 CV     1
 OR {  186}
   (( segid "UIM " and resid 264  and name HA  ))
   (( segid "UIM " and resid 264  and name HG1 ))
 ASSI {  192}
   (( segid "UIM " and resid 256  and name HA  ))
   (( segid "UIM " and resid 256  and name HG1 ))
      3.500     1.500     1.500 peak   192 spectrum    1 weight  0.10000E+01 volume  0.18099E-02 ppm1      4.442 ppm2      2.078 CV     1
 OR {  192}
   (( segid "UIM " and resid 274  and name HA  ))
   (( segid "UIM " and resid 273  and name HB1 ))
 OR {  192}
   (( segid "UIM " and resid 255  and name HA  ))
   (( segid "UIM " and resid 256  and name HG1 ))
 ASSI {  194}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 261  and name HG2 ))
      3.900     1.900     1.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.79289E-03 ppm1      4.540 ppm2      2.308 CV     1
 OR {  194}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 261  and name HG1 ))
 OR {  194}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 259  and name HG2 ))
 OR {  194}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 259  and name HG1 ))
 ASSI {  195}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 261  and name HB2 ))
      3.300     1.400     1.400 peak   195 spectrum    1 weight  0.10000E+01 volume  0.13832E-02 ppm1      4.541 ppm2      2.064 CV     1
 OR {  195}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 257  and name HB2 ))
 OR {  195}
   (( segid "UIM " and resid 258  and name HA  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 ASSI {  197}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 270  and name HB1 ))
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.76273E-02 ppm1      4.206 ppm2      3.861 CV     1
 OR {  197}
   (( segid "UIM " and resid 271  and name HA  ))
   (( segid "UIM " and resid 274  and name HB2 ))
 ASSI {  204}
   (( segid "UIM " and resid 273  and name HA  ))
   (( segid "UIM " and resid 273  and name HB2 ))
      2.500     0.800     0.800 peak   204 spectrum    1 weight  0.10000E+01 volume  0.69377E-02 ppm1      4.241 ppm2      2.043 CV     1
 OR {  204}
   (( segid "UIM " and resid 257  and name HA  ))
   (( segid "UIM " and resid 257  and name HB2 ))
 ASSI {  205}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 273  and name HB1 ))
      2.700     0.900     0.900 peak   205 spectrum    1 weight  0.10000E+01 volume  0.65930E-02 ppm1      4.206 ppm2      2.113 CV     1
 OR {  205}
   (( segid "UIM " and resid 257  and name HA  ))
   (( segid "UIM " and resid 260  and name HB2 ))
 ASSI {  208}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 261  and name HB1 ))
      3.100     1.200     1.200 peak   208 spectrum    1 weight  0.10000E+01 volume  0.15082E-02 ppm1      1.727 ppm2      2.075 CV     1
 OR {  208}
   (( segid "UIM " and resid 264  and name HG1 ))
   (( segid "UIM " and resid 261  and name HB2 ))
 OR {  208}
   (( segid "UIM " and resid 264  and name HG1 ))
   (( segid "UIM " and resid 261  and name HB1 ))
 OR {  208}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 259  and name HB2 ))
 OR {  208}
   (( segid "UIM " and resid 264  and name HG1 ))
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {  208}
   (( segid "UIM " and resid 262  and name HG  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 ASSI {  215}
   (  segid "UIM " and resid 263  and name HD1%)
   (( segid "UIM " and resid 263  and name HG11))
      2.100     0.600     0.600 peak   215 spectrum    1 weight  0.10000E+01 volume  0.10428E-01 ppm1      0.744 ppm2      1.676 CV     1
 OR {  215}
   (  segid "UIM " and resid 267  and name HD1%)
   (( segid "UIM " and resid 267  and name HG11))
 ASSI {  219}
   (( segid "UIM " and resid 270  and name HB2 ))
   (( segid "UIM " and resid 267  and name HA  ))
      3.000     1.200     1.200 peak   219 spectrum    1 weight  0.10000E+01 volume  0.21373E-02 ppm1      4.009 ppm2      3.584 CV     1
 OR {  219}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 267  and name HA  ))
 OR {  219}
   (( segid "UIM " and resid 266  and name HA  ))
   (( segid "UIM " and resid 267  and name HA  ))
 ASSI {  221}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 265  and name HE2 ))
      3.700     1.700     1.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.88339E-03 ppm1      4.037 ppm2      2.953 CV     1
 OR {  221}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 265  and name HE1 ))
 OR {  221}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HE1 ))
 OR {  221}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HE2 ))
 ASSI {  226}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HB2 ))
      1.900     0.400     0.400 peak   226 spectrum    1 weight  0.10000E+01 volume  0.30982E-01 ppm1      4.028 ppm2      1.909 CV     1
 OR {  226}
   (( segid "UIM " and resid 265  and name HA  ))
   (( segid "UIM " and resid 265  and name HB1 ))
 OR {  226}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 265  and name HB2 ))
 OR {  226}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 262  and name HB2 ))
 OR {  226}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 265  and name HB1 ))
 ASSI {  227}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 271  and name HB2 ))
      2.600     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.50417E-02 ppm1      4.018 ppm2      1.757 CV     1
 OR {  227}
   (( segid "UIM " and resid 262  and name HA  ))
   (( segid "UIM " and resid 262  and name HG  ))
 OR {  227}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 262  and name HG  ))
 ASSI {  233}
   (( segid "UIM " and resid 259  and name HG1 ))
   (  segid "UIM " and resid 263  and name HD1%)
      3.500     1.500     1.500 peak   233 spectrum    1 weight  0.10000E+01 volume  0.87473E-03 ppm1      2.275 ppm2      0.738 CV     1
 OR {  233}
   (( segid "UIM " and resid 259  and name HG2 ))
   (  segid "UIM " and resid 263  and name HD1%)
 OR {  233}
   (( segid "UIM " and resid 260  and name HG1 ))
   (  segid "UIM " and resid 263  and name HD1%)
 ASSI {  234}
   (( segid "UIM " and resid 261  and name HG2 ))
   (  segid "UIM " and resid 262  and name HD2%)
      4.800     2.900     1.200 peak   234 spectrum    1 weight  0.10000E+01 volume  0.18314E-03 ppm1      2.275 ppm2      0.874 CV     1
 OR {  234}
   (( segid "UIM " and resid 261  and name HG1 ))
   (  segid "UIM " and resid 262  and name HD2%)
 OR {  234}
   (( segid "UIM " and resid 260  and name HG1 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {  234}
   (( segid "UIM " and resid 260  and name HG2 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {  234}
   (( segid "UIM " and resid 261  and name HG2 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  234}
   (( segid "UIM " and resid 259  and name HG1 ))
   (  segid "UIM " and resid 263  and name HG2%)
 OR {  234}
   (( segid "UIM " and resid 261  and name HG1 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  234}
   (( segid "UIM " and resid 259  and name HG1 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  234}
   (( segid "UIM " and resid 259  and name HG2 ))
   (  segid "UIM " and resid 263  and name HG2%)
 ASSI {  235}
   (( segid "UIM " and resid 261  and name HG2 ))
   (  segid "UIM " and resid 262  and name HD1%)
      4.400     2.500     1.600 peak   235 spectrum    1 weight  0.10000E+01 volume  0.32276E-03 ppm1      2.271 ppm2      0.922 CV     1
 OR {  235}
   (( segid "UIM " and resid 261  and name HG1 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  235}
   (( segid "UIM " and resid 259  and name HG1 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  235}
   (( segid "UIM " and resid 259  and name HG2 ))
   (  segid "UIM " and resid 262  and name HD1%)
 ASSI {  236}
   (( segid "UIM " and resid 259  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD1%)
      4.300     2.300     1.700 peak   236 spectrum    1 weight  0.10000E+01 volume  0.45677E-03 ppm1      2.043 ppm2      0.932 CV     1
 OR {  236}
   (( segid "UIM " and resid 259  and name HB1 ))
   (  segid "UIM " and resid 262  and name HD1%)
 OR {  236}
   (( segid "UIM " and resid 261  and name HB2 ))
   (  segid "UIM " and resid 262  and name HD1%)
 ASSI {  239}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HG2 ))
      3.300     1.300     1.300 peak   239 spectrum    1 weight  0.10000E+01 volume  0.89197E-03 ppm1      0.894 ppm2      2.296 CV     1
 OR {  239}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HG1 ))
 OR {  239}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 259  and name HG1 ))
 OR {  239}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 259  and name HG2 ))
 OR {  239}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 259  and name HG1 ))
 OR {  239}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 259  and name HG2 ))
 ASSI {  240}
   (  segid "UIM " and resid 262  and name HD2%)
   (( segid "UIM " and resid 261  and name HB1 ))
      3.700     1.700     1.700 peak   240 spectrum    1 weight  0.10000E+01 volume  0.63775E-03 ppm1      0.899 ppm2      2.089 CV     1
 OR {  240}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 261  and name HB1 ))
 OR {  240}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 259  and name HB2 ))
 OR {  240}
   (  segid "UIM " and resid 262  and name HD1%)
   (( segid "UIM " and resid 259  and name HB1 ))
 ASSI {  253}
   (( segid "UIM " and resid 260  and name HG2 ))
   (( segid "UIM " and resid 257  and name HB1 ))
      2.800     1.000     1.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.43953E-02 ppm1      2.259 ppm2      1.941 CV     1
 OR {  253}
   (( segid "UIM " and resid 260  and name HG1 ))
   (( segid "UIM " and resid 263  and name HB  ))
 OR {  253}
   (( segid "UIM " and resid 260  and name HG1 ))
   (( segid "UIM " and resid 257  and name HB1 ))
 OR {  253}
   (( segid "UIM " and resid 260  and name HG2 ))
   (( segid "UIM " and resid 263  and name HB  ))
 OR {  253}
   (( segid "UIM " and resid 259  and name HG1 ))
   (( segid "UIM " and resid 263  and name HB  ))
 OR {  253}
   (( segid "UIM " and resid 259  and name HG2 ))
   (( segid "UIM " and resid 257  and name HB1 ))
 OR {  253}
   (( segid "UIM " and resid 259  and name HG2 ))
   (( segid "UIM " and resid 263  and name HB  ))
 OR {  253}
   (( segid "UIM " and resid 259  and name HG1 ))
   (( segid "UIM " and resid 257  and name HB1 ))
 OR {  253}
   (( segid "UIM " and resid 261  and name HG1 ))
   (( segid "UIM " and resid 264  and name HB2 ))
 OR {  253}
   (( segid "UIM " and resid 260  and name HG1 ))
   (( segid "UIM " and resid 264  and name HB1 ))
 OR {  253}
   (( segid "UIM " and resid 261  and name HG1 ))
   (( segid "UIM " and resid 264  and name HB1 ))
 ASSI {  254}
   (( segid "UIM " and resid 256  and name HB1 ))
   (( segid "UIM " and resid 256  and name HG1 ))
      2.200     0.600     0.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.10988E-01 ppm1      2.372 ppm2      2.088 CV     1
 OR {  254}
   (( segid "UIM " and resid 268  and name HG1 ))
   (( segid "UIM " and resid 268  and name HB2 ))
 OR {  254}
   (( segid "UIM " and resid 273  and name HG2 ))
   (( segid "UIM " and resid 273  and name HB1 ))
 OR {  254}
   (( segid "UIM " and resid 273  and name HG1 ))
   (( segid "UIM " and resid 273  and name HB1 ))
 ASSI {  255}
   (( segid "UIM " and resid 256  and name HB1 ))
   (( segid "UIM " and resid 256  and name HB2 ))
      2.100     0.500     0.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.11333E-01 ppm1      2.323 ppm2      1.962 CV     1
 OR {  255}
   (( segid "UIM " and resid 257  and name HG2 ))
   (( segid "UIM " and resid 257  and name HB1 ))
 OR {  255}
   (( segid "UIM " and resid 256  and name HB1 ))
   (( segid "UIM " and resid 256  and name HG2 ))
 ASSI {  257}
   (( segid "UIM " and resid 256  and name HG1 ))
   (( segid "UIM " and resid 256  and name HB1 ))
      2.000     0.500     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.20684E-01 ppm1      2.033 ppm2      2.373 CV     1
 OR {  257}
   (( segid "UIM " and resid 268  and name HB2 ))
   (( segid "UIM " and resid 268  and name HG1 ))
 OR {  257}
   (( segid "UIM " and resid 273  and name HB2 ))
   (( segid "UIM " and resid 273  and name HG1 ))
 OR {  257}
   (( segid "UIM " and resid 273  and name HB2 ))
   (( segid "UIM " and resid 273  and name HG2 ))
 ASSI {  258}
   (( segid "UIM " and resid 268  and name HB1 ))
   (( segid "UIM " and resid 268  and name HG2 ))
      2.200     0.600     0.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.15944E-01 ppm1      2.149 ppm2      2.378 CV     1
 OR {  258}
   (( segid "UIM " and resid 273  and name HB1 ))
   (( segid "UIM " and resid 273  and name HG2 ))
 OR {  258}
   (( segid "UIM " and resid 273  and name HB1 ))
   (( segid "UIM " and resid 273  and name HG1 ))
 OR {  258}
   (( segid "UIM " and resid 268  and name HB1 ))
   (( segid "UIM " and resid 268  and name HG1 ))
 ASSI {  263}
   (( segid "UIM " and resid 264  and name HB2 ))
   (( segid "UIM " and resid 267  and name HA  ))
      3.700     1.800     1.800 peak   263 spectrum    1 weight  0.10000E+01 volume  0.12152E-02 ppm1      1.910 ppm2      3.559 CV     1
 OR {  263}
   (( segid "UIM " and resid 264  and name HB1 ))
   (( segid "UIM " and resid 267  and name HA  ))
 OR {  263}
   (( segid "UIM " and resid 265  and name HB1 ))
   (( segid "UIM " and resid 267  and name HA  ))
 ASSI {  266}
   (( segid "UIM " and resid 256  and name HG1 ))
   (( segid "UIM " and resid 256  and name HA  ))
      4.600     2.700     1.400 peak   266 spectrum    1 weight  0.10000E+01 volume  0.34818E-03 ppm1      2.054 ppm2      4.473 CV     1
 OR {  266}
   (( segid "UIM " and resid 256  and name HG1 ))
   (( segid "UIM " and resid 255  and name HA  ))
 ASSI {  274}
   (( segid "UIM " and resid 268  and name HG1 ))
   (( segid "UIM " and resid 265  and name HA  ))
      3.400     1.400     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.13229E-02 ppm1      2.347 ppm2      4.033 CV     1
 OR {  274}
   (( segid "UIM " and resid 268  and name HG2 ))
   (( segid "UIM " and resid 265  and name HA  ))
 OR {  274}
   (( segid "UIM " and resid 268  and name HG2 ))
   (( segid "UIM " and resid 269  and name HA  ))
 OR {  274}
   (( segid "UIM " and resid 268  and name HG1 ))
   (( segid "UIM " and resid 269  and name HA  ))
 ASSI {  285}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HG2 ))
      3.300     1.400     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.14350E-02 ppm1      2.931 ppm2      1.451 CV     1
 OR {  285}
   (( segid "UIM " and resid 272  and name HE1 ))
   (( segid "UIM " and resid 272  and name HG2 ))
 OR {  285}
   (( segid "UIM " and resid 272  and name HE2 ))
   (( segid "UIM " and resid 272  and name HG2 ))
 OR {  285}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HG1 ))
 OR {  285}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 265  and name HG2 ))
 ASSI {  286}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HB1 ))
      3.400     1.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.12022E-02 ppm1      2.944 ppm2      1.906 CV     1
 OR {  286}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 265  and name HB1 ))
 OR {  286}
   (( segid "UIM " and resid 265  and name HE2 ))
   (( segid "UIM " and resid 265  and name HB2 ))
 OR {  286}
   (( segid "UIM " and resid 265  and name HE1 ))
   (( segid "UIM " and resid 265  and name HB2 ))
 OR {  286}
   (( segid "UIM " and resid 272  and name HE2 ))
   (( segid "UIM " and resid 272  and name HB1 ))
 OR {  286}
   (( segid "UIM " and resid 272  and name HE1 ))
   (( segid "UIM " and resid 272  and name HB1 ))
 ASSI {  289}
   (( segid "UIM " and resid 267  and name HA  ))
   (( segid "UIM " and resid 267  and name HB  ))
      3.300     1.400     1.400 peak   289 spectrum    1 weight  0.10000E+01 volume  0.13014E-02 ppm1      3.540 ppm2      1.947 CV     1
 OR {  289}
   (( segid "UIM " and resid 256  and name HD2 ))
   (( segid "UIM " and resid 256  and name HB2 ))
 ASSI {  290}
   (( segid "UIM " and resid 273  and name HA  ))
   (( segid "UIM " and resid 272  and name HB1 ))
      3.000     1.100     1.100 peak   290 spectrum    1 weight  0.10000E+01 volume  0.19736E-02 ppm1      4.251 ppm2      1.938 CV     1
 OR {  290}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 272  and name HB1 ))
 OR {  290}
   (( segid "UIM " and resid 270  and name HA  ))
   (( segid "UIM " and resid 272  and name HB2 ))
 ASSI {  294}
   (( segid "UIM " and resid 264  and name HA  ))
   (  segid "UIM " and resid 263  and name HG2%)
      2.600     0.800     0.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.62913E-02 ppm1      3.924 ppm2      0.864 CV     1
 OR {  294}
   (( segid "UIM " and resid 264  and name HA  ))
   (  segid "UIM " and resid 267  and name HG2%)
 ASSI {  297}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 263  and name HG12))
      4.600     2.600     1.400 peak   297 spectrum    1 weight  0.10000E+01 volume  0.47400E-03 ppm1      4.007 ppm2      1.071 CV     1
 OR {  297}
   (( segid "UIM " and resid 259  and name HA  ))
   (( segid "UIM " and resid 263  and name HG12))
 ASSI {  299}
   (( segid "UIM " and resid 260  and name HA  ))
   (( segid "UIM " and resid 263  and name HB  ))
      2.100     0.500     0.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.14910E-01 ppm1      4.009 ppm2      1.962 CV     1
 OR {  299}
   (( segid "UIM " and resid 268  and name HA  ))
   (( segid "UIM " and resid 267  and name HB  ))
 ASSI {  302}
   (( segid "UIM " and resid 265  and name HE2 ))
   (  segid "UIM " and resid 262  and name HD2%)
      2.800     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.14435E-02 ppm1      2.926 ppm2      0.869 CV     1
 OR {  302}
   (( segid "UIM " and resid 265  and name HE1 ))
   (  segid "UIM " and resid 262  and name HD2%)
 OR {  302}
   (( segid "UIM " and resid 265  and name HE2 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  302}
   (( segid "UIM " and resid 265  and name HE1 ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  302}
   (( segid "UIM " and resid 265  and name HE1 ))
   (  segid "UIM " and resid 269  and name HD2%)
 ASSI {    6}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 256  and name HB2 ))
      2.800     1.000     1.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.30466E-02 ppm1      8.752 ppm2      1.976 CV     1
 OR {    6}
   (( segid "UIM " and resid 257  and name HN  ))
   (( segid "UIM " and resid 257  and name HB1 ))
 ASSI {   11}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 257  and name HB2 ))
      3.100     1.200     1.200 peak    11 spectrum    1 weight  0.10000E+01 volume  0.22741E-02 ppm1      8.274 ppm2      2.062 CV     1
 OR {   11}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   11}
   (( segid "UIM " and resid 258  and name HN  ))
   (( segid "UIM " and resid 259  and name HB2 ))
 ASSI {   16}
   (( segid "UIM " and resid 276  and name HN  ))
   (( segid "UIM " and resid 276  and name HB2 ))
      2.800     1.000     1.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.29164E-02 ppm1      8.328 ppm2      2.735 CV     1
 OR {   16}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 258  and name HB1 ))
 OR {   16}
   (( segid "UIM " and resid 259  and name HN  ))
   (( segid "UIM " and resid 258  and name HB2 ))
 ASSI {   22}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
      2.900     1.100     1.100 peak    22 spectrum    1 weight  0.10000E+01 volume  0.20657E-02 ppm1      8.029 ppm2      4.031 CV     1
 OR {   22}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {   22}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HA  ))
 OR {   22}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 ASSI {   23}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HG2 ))
      3.300     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13628E-02 ppm1      8.029 ppm2      2.292 CV     1
 OR {   23}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HG2 ))
 OR {   23}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HG1 ))
 OR {   23}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HG1 ))
 OR {   23}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 261  and name HG1 ))
 OR {   23}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 260  and name HG2 ))
 OR {   23}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 261  and name HG2 ))
 ASSI {   24}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HB2 ))
      2.300     0.700     0.700 peak    24 spectrum    1 weight  0.10000E+01 volume  0.81850E-02 ppm1      8.032 ppm2      2.107 CV     1
 OR {   24}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 261  and name HB1 ))
 OR {   24}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   24}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 260  and name HB2 ))
 ASSI {   25}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 261  and name HB2 ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.94611E-02 ppm1      8.030 ppm2      2.055 CV     1
 OR {   25}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HB1 ))
 OR {   25}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HB1 ))
 OR {   25}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 260  and name HB1 ))
 ASSI {   28}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 272  and name HA  ))
      3.100     1.200     1.200 peak    28 spectrum    1 weight  0.10000E+01 volume  0.14756E-02 ppm1      7.814 ppm2      4.126 CV     1
 OR {   28}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HA  ))
 ASSI {   29}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.42010E-02 ppm1      7.817 ppm2      4.040 CV     1
 OR {   29}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 259  and name HA  ))
 OR {   29}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 269  and name HA  ))
 ASSI {   31}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 261  and name HB2 ))
      3.300     1.300     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.18922E-02 ppm1      7.818 ppm2      2.052 CV     1
 OR {   31}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 273  and name HB2 ))
 ASSI {   32}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 262  and name HB2 ))
      2.200     0.600     0.600 peak    32 spectrum    1 weight  0.10000E+01 volume  0.81328E-02 ppm1      7.814 ppm2      1.896 CV     1
 OR {   32}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 272  and name HB2 ))
 OR {   32}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 272  and name HB1 ))
 ASSI {   33}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 271  and name HB2 ))
      2.300     0.700     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.57981E-02 ppm1      7.814 ppm2      1.751 CV     1
 OR {   33}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 271  and name HB2 ))
 ASSI {   37}
   (( segid "UIM " and resid 262  and name HN  ))
   (  segid "UIM " and resid 262  and name HD2%)
      3.500     1.500     1.500 peak    37 spectrum    1 weight  0.10000E+01 volume  0.10850E-02 ppm1      7.816 ppm2      0.856 CV     1
 OR {   37}
   (( segid "UIM " and resid 271  and name HN  ))
   (  segid "UIM " and resid 271  and name HD2%)
 OR {   37}
   (( segid "UIM " and resid 271  and name HN  ))
   (  segid "UIM " and resid 267  and name HG2%)
 ASSI {   41}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 262  and name HB2 ))
      2.100     0.500     0.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.14582E-01 ppm1      7.999 ppm2      1.877 CV     1
 OR {   41}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HB1 ))
 OR {   41}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 265  and name HB1 ))
 OR {   41}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 265  and name HB2 ))
 OR {   41}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HB2 ))
 ASSI {   49}
   (( segid "UIM " and resid 264  and name HN  ))
   (  segid "UIM " and resid 263  and name HG2%)
      3.300     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.12151E-02 ppm1      7.965 ppm2      0.851 CV     1
 OR {   49}
   (( segid "UIM " and resid 263  and name HN  ))
   (  segid "UIM " and resid 263  and name HG2%)
 ASSI {   52}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 263  and name HA  ))
      2.900     1.000     1.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.18922E-02 ppm1      8.001 ppm2      3.700 CV     1
 OR {   52}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 263  and name HA  ))
 ASSI {   53}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 263  and name HG12))
      4.100     2.200     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.51211E-03 ppm1      8.000 ppm2      1.065 CV     1
 OR {   53}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 263  and name HG12))
 ASSI {   54}
   (( segid "UIM " and resid 264  and name HN  ))
   (  segid "UIM " and resid 263  and name HG2%)
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      8.001 ppm2      0.855 CV     1
 OR {   54}
   (( segid "UIM " and resid 266  and name HN  ))
   (  segid "UIM " and resid 269  and name HD1%)
 ASSI {   55}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 264  and name HN  ))
      2.100     0.500     0.500 peak    55 spectrum    1 weight  0.10000E+01 volume  0.14669E-01 ppm1      8.195 ppm2      7.988 CV     1
 OR {   55}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 266  and name HN  ))
 ASSI {   56}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HA  ))
      2.300     0.700     0.700 peak    56 spectrum    1 weight  0.10000E+01 volume  0.74906E-02 ppm1      8.197 ppm2      4.047 CV     1
 OR {   56}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
 ASSI {   59}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 264  and name HG2 ))
      2.600     0.900     0.900 peak    59 spectrum    1 weight  0.10000E+01 volume  0.49822E-02 ppm1      8.196 ppm2      1.587 CV     1
 OR {   59}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HD2 ))
 ASSI {   62}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 266  and name HA  ))
      2.300     0.700     0.700 peak    62 spectrum    1 weight  0.10000E+01 volume  0.79595E-02 ppm1      7.982 ppm2      4.038 CV     1
 OR {   62}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {   62}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {   62}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 265  and name HA  ))
 OR {   62}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
 OR {   62}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 ASSI {   72}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 268  and name HA  ))
      2.600     0.800     0.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.43138E-02 ppm1      8.094 ppm2      3.979 CV     1
 OR {   72}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 270  and name HB2 ))
 ASSI {   73}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 270  and name HA  ))
      2.300     0.700     0.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.79334E-02 ppm1      8.087 ppm2      4.258 CV     1
 OR {   73}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 273  and name HA  ))
 OR {   73}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 273  and name HA  ))
 ASSI {   74}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 268  and name HB2 ))
      2.000     0.500     0.500 peak    74 spectrum    1 weight  0.10000E+01 volume  0.16492E-01 ppm1      8.091 ppm2      2.073 CV     1
 OR {   74}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 273  and name HB1 ))
 ASSI {   77}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 265  and name HA  ))
      2.200     0.600     0.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.98949E-02 ppm1      8.163 ppm2      4.076 CV     1
 OR {   77}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HA  ))
 OR {   77}
   (( segid "UIM " and resid 265  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
 ASSI {   80}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HB2 ))
      2.200     0.600     0.600 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11197E-01 ppm1      8.162 ppm2      1.617 CV     1
 OR {   80}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HB1 ))
 OR {   80}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 275  and name HG1 ))
 ASSI {   83}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 271  and name HN  ))
      2.800     1.000     1.000 peak    83 spectrum    1 weight  0.10000E+01 volume  0.24998E-02 ppm1      8.127 ppm2      7.789 CV     1
 OR {   83}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 272  and name HN  ))
 OR {   83}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 272  and name HN  ))
 ASSI {   84}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 270  and name HA  ))
      2.500     0.800     0.800 peak    84 spectrum    1 weight  0.10000E+01 volume  0.51471E-02 ppm1      8.129 ppm2      4.227 CV     1
 OR {   84}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 273  and name HA  ))
 OR {   84}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 271  and name HA  ))
 ASSI {   86}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 274  and name HB2 ))
      2.400     0.700     0.700 peak    86 spectrum    1 weight  0.10000E+01 volume  0.63102E-02 ppm1      8.127 ppm2      3.848 CV     1
 OR {   86}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 270  and name HB1 ))
 OR {   86}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 274  and name HB1 ))
 OR {   86}
   (( segid "UIM " and resid 277  and name HN  ))
   (( segid "UIM " and resid 277  and name HB2 ))
 OR {   86}
   (( segid "UIM " and resid 277  and name HN  ))
   (( segid "UIM " and resid 277  and name HB1 ))
 ASSI {   87}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HB2 ))
      2.400     0.700     0.700 peak    87 spectrum    1 weight  0.10000E+01 volume  0.58067E-02 ppm1      8.126 ppm2      1.612 CV     1
 OR {   87}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 269  and name HB2 ))
 OR {   87}
   (( segid "UIM " and resid 269  and name HN  ))
   (( segid "UIM " and resid 269  and name HB1 ))
 OR {   87}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 275  and name HG1 ))
 OR {   87}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 269  and name HB1 ))
 ASSI {   89}
   (( segid "UIM " and resid 269  and name HN  ))
   (  segid "UIM " and resid 269  and name HD2%)
      4.000     2.000     2.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.51905E-03 ppm1      8.123 ppm2      0.850 CV     1
 OR {   89}
   (( segid "UIM " and resid 268  and name HN  ))
   (  segid "UIM " and resid 267  and name HG2%)
 OR {   89}
   (( segid "UIM " and resid 269  and name HN  ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {   89}
   (( segid "UIM " and resid 270  and name HN  ))
   (  segid "UIM " and resid 269  and name HD1%)
 ASSI {   90}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 271  and name HA  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.42357E-02 ppm1      7.783 ppm2      4.204 CV     1
 OR {   90}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 271  and name HA  ))
 OR {   90}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 270  and name HA  ))
 ASSI {   91}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 272  and name HA  ))
      2.500     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.43919E-02 ppm1      7.782 ppm2      4.175 CV     1
 OR {   91}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 271  and name HA  ))
 ASSI {   94}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 262  and name HB1 ))
      3.000     1.100     1.100 peak    94 spectrum    1 weight  0.10000E+01 volume  0.42010E-02 ppm1      7.786 ppm2      1.548 CV     1
 OR {   94}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 271  and name HB1 ))
 OR {   94}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 271  and name HB1 ))
 ASSI {   98}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 273  and name HN  ))
      2.500     0.800     0.800 peak    98 spectrum    1 weight  0.10000E+01 volume  0.53380E-02 ppm1      7.786 ppm2      8.073 CV     1
 OR {   98}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 274  and name HN  ))
 ASSI {   99}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 272  and name HA  ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.29598E-02 ppm1      8.086 ppm2      4.165 CV     1
 OR {   99}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 272  and name HA  ))
 ASSI {  100}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 273  and name HG2 ))
      3.000     1.100     1.100 peak   100 spectrum    1 weight  0.10000E+01 volume  0.23782E-02 ppm1      8.080 ppm2      2.377 CV     1
 OR {  100}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 268  and name HG2 ))
 OR {  100}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 268  and name HG1 ))
 OR {  100}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 273  and name HG1 ))
 ASSI {  102}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 265  and name HA  ))
      2.900     1.000     1.000 peak   102 spectrum    1 weight  0.10000E+01 volume  0.24043E-02 ppm1      8.092 ppm2      4.049 CV     1
 OR {  102}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 269  and name HA  ))
 OR {  102}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 266  and name HA  ))
 OR {  102}
   (( segid "UIM " and resid 273  and name HN  ))
   (( segid "UIM " and resid 269  and name HA  ))
 ASSI {  103}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 274  and name HB2 ))
      2.500     0.800     0.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.53814E-02 ppm1      8.093 ppm2      3.882 CV     1
 OR {  103}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 270  and name HB1 ))
 OR {  103}
   (( segid "UIM " and resid 274  and name HN  ))
   (( segid "UIM " and resid 274  and name HB1 ))
 ASSI {  104}
   (( segid "UIM " and resid 277  and name HN  ))
   (( segid "UIM " and resid 277  and name HA  ))
      2.700     0.900     0.900 peak   104 spectrum    1 weight  0.10000E+01 volume  0.35066E-02 ppm1      8.152 ppm2      4.456 CV     1
 OR {  104}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 274  and name HA  ))
 ASSI {  111}
   (( segid "UIM " and resid 277  and name HN  ))
   (( segid "UIM " and resid 277  and name HB2 ))
      2.700     0.900     0.900 peak   111 spectrum    1 weight  0.10000E+01 volume  0.40968E-02 ppm1      8.160 ppm2      3.868 CV     1
 OR {  111}
   (( segid "UIM " and resid 277  and name HN  ))
   (( segid "UIM " and resid 277  and name HB1 ))
 OR {  111}
   (( segid "UIM " and resid 275  and name HN  ))
   (( segid "UIM " and resid 274  and name HB1 ))
 ASSI {  117}
   (( segid "UIM " and resid 268  and name HN  ))
   (( segid "UIM " and resid 267  and name HA  ))
      4.200     2.200     1.800 peak   117 spectrum    1 weight  0.10000E+01 volume  0.22741E-03 ppm1      8.089 ppm2      3.581 CV     1
 OR {  117}
   (( segid "UIM " and resid 270  and name HN  ))
   (( segid "UIM " and resid 267  and name HA  ))
 ASSI {  120}
   (( segid "UIM " and resid 276  and name HN  ))
   (( segid "UIM " and resid 275  and name HN  ))
      2.900     1.100     1.100 peak   120 spectrum    1 weight  0.10000E+01 volume  0.22220E-02 ppm1      8.346 ppm2      8.164 CV     1
 OR {  120}
   (( segid "UIM " and resid 276  and name HN  ))
   (( segid "UIM " and resid 277  and name HN  ))
 ASSI {  122}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 258  and name HA  ))
      4.400     2.400     1.600 peak   122 spectrum    1 weight  0.10000E+01 volume  0.18228E-03 ppm1      8.032 ppm2      4.541 CV     1
 OR {  122}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 258  and name HA  ))
 ASSI {  123}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 258  and name HB1 ))
      3.700     1.800     1.800 peak   123 spectrum    1 weight  0.10000E+01 volume  0.26387E-03 ppm1      8.032 ppm2      2.740 CV     1
 OR {  123}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 258  and name HB1 ))
 OR {  123}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 258  and name HB2 ))
 OR {  123}
   (( segid "UIM " and resid 261  and name HN  ))
   (( segid "UIM " and resid 258  and name HB2 ))
 ASSI {  124}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HG2 ))
      3.300     1.400     1.400 peak   124 spectrum    1 weight  0.10000E+01 volume  0.10415E-02 ppm1      8.069 ppm2      2.289 CV     1
 OR {  124}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HG2 ))
 OR {  124}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HG1 ))
 OR {  124}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HG1 ))
 ASSI {  125}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
      3.400     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.76123E-03 ppm1      8.063 ppm2      4.035 CV     1
 OR {  125}
   (( segid "UIM " and resid 260  and name HN  ))
   (( segid "UIM " and resid 259  and name HA  ))
 ASSI {  130}
   (( segid "UIM " and resid 262  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
      3.400     1.500     1.500 peak   130 spectrum    1 weight  0.10000E+01 volume  0.73865E-03 ppm1      7.784 ppm2      4.073 CV     1
 OR {  130}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 269  and name HA  ))
 ASSI {  131}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 270  and name HB2 ))
      3.600     1.600     1.600 peak   131 spectrum    1 weight  0.10000E+01 volume  0.62667E-03 ppm1      7.783 ppm2      3.979 CV     1
 OR {  131}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 268  and name HA  ))
 ASSI {  134}
   (( segid "UIM " and resid 272  and name HN  ))
   (( segid "UIM " and resid 272  and name HG2 ))
      4.000     2.000     2.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.41663E-03 ppm1      7.781 ppm2      1.445 CV     1
 OR {  134}
   (( segid "UIM " and resid 271  and name HN  ))
   (( segid "UIM " and resid 272  and name HG2 ))
 ASSI {  139}
   (( segid "UIM " and resid 268  and name HN  ))
   (  segid "UIM " and resid 267  and name HG2%)
      3.400     1.400     1.400 peak   139 spectrum    1 weight  0.10000E+01 volume  0.12586E-02 ppm1      8.091 ppm2      0.848 CV     1
 OR {  139}
   (( segid "UIM " and resid 270  and name HN  ))
   (  segid "UIM " and resid 269  and name HD1%)
 OR {  139}
   (( segid "UIM " and resid 270  and name HN  ))
   (  segid "UIM " and resid 267  and name HG2%)
 OR {  139}
   (( segid "UIM " and resid 274  and name HN  ))
   (  segid "UIM " and resid 271  and name HD2%)
 OR {  139}
   (( segid "UIM " and resid 270  and name HN  ))
   (  segid "UIM " and resid 271  and name HD2%)
 ASSI {  140}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 266  and name HA  ))
      2.600     0.800     0.800 peak   140 spectrum    1 weight  0.10000E+01 volume  0.44440E-02 ppm1      7.958 ppm2      4.036 CV     1
 OR {  140}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 260  and name HA  ))
 OR {  140}
   (( segid "UIM " and resid 266  and name HN  ))
   (( segid "UIM " and resid 265  and name HA  ))
 OR {  140}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 262  and name HA  ))
 ASSI {  141}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 263  and name HB  ))
      2.100     0.500     0.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.13714E-01 ppm1      8.000 ppm2      1.940 CV     1
 OR {  141}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HB1 ))
 OR {  141}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 264  and name HB2 ))
 ASSI {  142}
   (( segid "UIM " and resid 263  and name HN  ))
   (( segid "UIM " and resid 263  and name HG11))
      3.100     1.200     1.200 peak   142 spectrum    1 weight  0.10000E+01 volume  0.10155E-02 ppm1      7.999 ppm2      1.653 CV     1
 OR {  142}
   (( segid "UIM " and resid 264  and name HN  ))
   (( segid "UIM " and resid 263  and name HG11))


# dihedrals.tbl

assign (resid   2 and name C   and segid UBI ) (resid   3 and name N   and segid UBI )
       (resid   3 and name CA  and segid UBI ) (resid   3 and name C   and segid UBI ) 1.0  -135.0   60.0 2
assign (resid   3 and name C   and segid UBI ) (resid   4 and name N   and segid UBI )
       (resid   4 and name CA  and segid UBI ) (resid   4 and name C   and segid UBI ) 1.0  -117.0   57.0 2
assign (resid   4 and name C   and segid UBI ) (resid   5 and name N   and segid UBI )
       (resid   5 and name CA  and segid UBI ) (resid   5 and name C   and segid UBI ) 1.0  -120.0   51.0 2
assign (resid   5 and name C   and segid UBI ) (resid   6 and name N   and segid UBI )
       (resid   6 and name CA  and segid UBI ) (resid   6 and name C   and segid UBI ) 1.0  -111.0   42.0 2
assign (resid   6 and name C   and segid UBI ) (resid   7 and name N   and segid UBI )
       (resid   7 and name CA  and segid UBI ) (resid   7 and name C   and segid UBI ) 1.0  -96.0   45.0 2
assign (resid   8 and name C   and segid UBI ) (resid   9 and name N   and segid UBI )
       (resid   9 and name CA  and segid UBI ) (resid   9 and name C   and segid UBI ) 1.0  -107.0   45.0 2
assign (resid  10 and name C   and segid UBI ) (resid  11 and name N   and segid UBI )
       (resid  11 and name CA  and segid UBI ) (resid  11 and name C   and segid UBI ) 1.0  -95.0   75.0 2
assign (resid  11 and name C   and segid UBI ) (resid  12 and name N   and segid UBI )
       (resid  12 and name CA  and segid UBI ) (resid  12 and name C   and segid UBI ) 1.0  -104.0   45.0 2
assign (resid  12 and name C   and segid UBI ) (resid  13 and name N   and segid UBI )
       (resid  13 and name CA  and segid UBI ) (resid  13 and name C   and segid UBI ) 1.0  -115.0   57.0 2
assign (resid  13 and name C   and segid UBI ) (resid  14 and name N   and segid UBI )
       (resid  14 and name CA  and segid UBI ) (resid  14 and name C   and segid UBI ) 1.0  -98.0   42.0 2
assign (resid  14 and name C   and segid UBI ) (resid  15 and name N   and segid UBI )
       (resid  15 and name CA  and segid UBI ) (resid  15 and name C   and segid UBI ) 1.0  -122.0   54.0 2
assign (resid  15 and name C   and segid UBI ) (resid  16 and name N   and segid UBI )
       (resid  16 and name CA  and segid UBI ) (resid  16 and name C   and segid UBI ) 1.0  -97.0   27.0 2
assign (resid  16 and name C   and segid UBI ) (resid  17 and name N   and segid UBI )
       (resid  17 and name CA  and segid UBI ) (resid  17 and name C   and segid UBI ) 1.0  -137.0   45.0 2
assign (resid  17 and name C   and segid UBI ) (resid  18 and name N   and segid UBI )
       (resid  18 and name CA  and segid UBI ) (resid  18 and name C   and segid UBI ) 1.0  -118.0   78.0 2
assign (resid  18 and name C   and segid UBI ) (resid  19 and name N   and segid UBI )
       (resid  19 and name CA  and segid UBI ) (resid  19 and name C   and segid UBI ) 1.0  -67.0   27.0 2
assign (resid  19 and name C   and segid UBI ) (resid  20 and name N   and segid UBI )
       (resid  20 and name CA  and segid UBI ) (resid  20 and name C   and segid UBI ) 1.0  -100.0   42.0 2
assign (resid  24 and name C   and segid UBI ) (resid  25 and name N   and segid UBI )
       (resid  25 and name CA  and segid UBI ) (resid  25 and name C   and segid UBI ) 1.0  -64.0   21.0 2
assign (resid  25 and name C   and segid UBI ) (resid  26 and name N   and segid UBI )
       (resid  26 and name CA  and segid UBI ) (resid  26 and name C   and segid UBI ) 1.0  -66.0   15.0 2
assign (resid  26 and name C   and segid UBI ) (resid  27 and name N   and segid UBI )
       (resid  27 and name CA  and segid UBI ) (resid  27 and name C   and segid UBI ) 1.0  -65.0   15.0 2
assign (resid  27 and name C   and segid UBI ) (resid  28 and name N   and segid UBI )
       (resid  28 and name CA  and segid UBI ) (resid  28 and name C   and segid UBI ) 1.0  -67.0   12.0 2
assign (resid  28 and name C   and segid UBI ) (resid  29 and name N   and segid UBI )
       (resid  29 and name CA  and segid UBI ) (resid  29 and name C   and segid UBI ) 1.0  -66.0   15.0 2
assign (resid  29 and name C   and segid UBI ) (resid  30 and name N   and segid UBI )
       (resid  30 and name CA  and segid UBI ) (resid  30 and name C   and segid UBI ) 1.0  -68.0   18.0 2
assign (resid  30 and name C   and segid UBI ) (resid  31 and name N   and segid UBI )
       (resid  31 and name CA  and segid UBI ) (resid  31 and name C   and segid UBI ) 1.0  -66.0   24.0 2
assign (resid  31 and name C   and segid UBI ) (resid  32 and name N   and segid UBI )
       (resid  32 and name CA  and segid UBI ) (resid  32 and name C   and segid UBI ) 1.0  -65.0   30.0 2
assign (resid  32 and name C   and segid UBI ) (resid  33 and name N   and segid UBI )
       (resid  33 and name CA  and segid UBI ) (resid  33 and name C   and segid UBI ) 1.0  -88.0   54.0 2
assign (resid  38 and name C   and segid UBI ) (resid  39 and name N   and segid UBI )
       (resid  39 and name CA  and segid UBI ) (resid  39 and name C   and segid UBI ) 1.0  -74.0   39.0 2
assign (resid  42 and name C   and segid UBI ) (resid  43 and name N   and segid UBI )
       (resid  43 and name CA  and segid UBI ) (resid  43 and name C   and segid UBI ) 1.0  -113.0   42.0 2
assign (resid  43 and name C   and segid UBI ) (resid  44 and name N   and segid UBI )
       (resid  44 and name CA  and segid UBI ) (resid  44 and name C   and segid UBI ) 1.0  -130.0   42.0 2
assign (resid  56 and name C   and segid UBI ) (resid  57 and name N   and segid UBI )
       (resid  57 and name CA  and segid UBI ) (resid  57 and name C   and segid UBI ) 1.0  -67.0   15.0 2
assign (resid  58 and name C   and segid UBI ) (resid  59 and name N   and segid UBI )
       (resid  59 and name CA  and segid UBI ) (resid  59 and name C   and segid UBI ) 1.0  -88.0   48.0 2
assign (resid  65 and name C   and segid UBI ) (resid  66 and name N   and segid UBI )
       (resid  66 and name CA  and segid UBI ) (resid  66 and name C   and segid UBI ) 1.0  -107.0   72.0 2
assign (resid  66 and name C   and segid UBI ) (resid  67 and name N   and segid UBI )
       (resid  67 and name CA  and segid UBI ) (resid  67 and name C   and segid UBI ) 1.0  -104.0   21.0 2
assign (resid  68 and name C   and segid UBI ) (resid  69 and name N   and segid UBI )
       (resid  69 and name CA  and segid UBI ) (resid  69 and name C   and segid UBI ) 1.0  -119.0   69.0 2
assign (resid  69 and name C   and segid UBI ) (resid  70 and name N   and segid UBI )
       (resid  70 and name CA  and segid UBI ) (resid  70 and name C   and segid UBI ) 1.0  -118.0   57.0 2
assign (resid  70 and name C   and segid UBI ) (resid  71 and name N   and segid UBI )
       (resid  71 and name CA  and segid UBI ) (resid  71 and name C   and segid UBI ) 1.0  -93.0   39.0 2
assign (resid   3 and name N   and segid UBI ) (resid   3 and name CA  and segid UBI )
       (resid   3 and name C   and segid UBI ) (resid   4 and name N   and segid UBI ) 1.0  156.0   48.0 2
assign (resid   4 and name N   and segid UBI ) (resid   4 and name CA  and segid UBI )
       (resid   4 and name C   and segid UBI ) (resid   5 and name N   and segid UBI ) 1.0  137.0   60.0 2
assign (resid   5 and name N   and segid UBI ) (resid   5 and name CA  and segid UBI )
       (resid   5 and name C   and segid UBI ) (resid   6 and name N   and segid UBI ) 1.0  128.0   51.0 2
assign (resid   6 and name N   and segid UBI ) (resid   6 and name CA  and segid UBI )
       (resid   6 and name C   and segid UBI ) (resid   7 and name N   and segid UBI ) 1.0  143.0   39.0 2
assign (resid   7 and name N   and segid UBI ) (resid   7 and name CA  and segid UBI )
       (resid   7 and name C   and segid UBI ) (resid   8 and name N   and segid UBI ) 1.0  162.0   45.0 2
assign (resid   9 and name N   and segid UBI ) (resid   9 and name CA  and segid UBI )
       (resid   9 and name C   and segid UBI ) (resid  10 and name N   and segid UBI ) 1.0    4.0   54.0 2
assign (resid  11 and name N   and segid UBI ) (resid  11 and name CA  and segid UBI )
       (resid  11 and name C   and segid UBI ) (resid  12 and name N   and segid UBI ) 1.0  126.0   78.0 2
assign (resid  12 and name N   and segid UBI ) (resid  12 and name CA  and segid UBI )
       (resid  12 and name C   and segid UBI ) (resid  13 and name N   and segid UBI ) 1.0  132.0   36.0 2
assign (resid  13 and name N   and segid UBI ) (resid  13 and name CA  and segid UBI )
       (resid  13 and name C   and segid UBI ) (resid  14 and name N   and segid UBI ) 1.0  133.0   39.0 2
assign (resid  14 and name N   and segid UBI ) (resid  14 and name CA  and segid UBI )
       (resid  14 and name C   and segid UBI ) (resid  15 and name N   and segid UBI ) 1.0  132.0   21.0 2
assign (resid  15 and name N   and segid UBI ) (resid  15 and name CA  and segid UBI )
       (resid  15 and name C   and segid UBI ) (resid  16 and name N   and segid UBI ) 1.0  147.0   39.0 2
assign (resid  16 and name N   and segid UBI ) (resid  16 and name CA  and segid UBI )
       (resid  16 and name C   and segid UBI ) (resid  17 and name N   and segid UBI ) 1.0  130.0   36.0 2
assign (resid  17 and name N   and segid UBI ) (resid  17 and name CA  and segid UBI )
       (resid  17 and name C   and segid UBI ) (resid  18 and name N   and segid UBI ) 1.0  161.0   42.0 2
assign (resid  18 and name N   and segid UBI ) (resid  18 and name CA  and segid UBI )
       (resid  18 and name C   and segid UBI ) (resid  19 and name N   and segid UBI ) 1.0  152.0   60.0 2
assign (resid  19 and name N   and segid UBI ) (resid  19 and name CA  and segid UBI )
       (resid  19 and name C   and segid UBI ) (resid  20 and name N   and segid UBI ) 1.0  -23.0   33.0 2
assign (resid  20 and name N   and segid UBI ) (resid  20 and name CA  and segid UBI )
       (resid  20 and name C   and segid UBI ) (resid  21 and name N   and segid UBI ) 1.0    3.0   51.0 2
assign (resid  25 and name N   and segid UBI ) (resid  25 and name CA  and segid UBI )
       (resid  25 and name C   and segid UBI ) (resid  26 and name N   and segid UBI ) 1.0  -43.0   12.0 2
assign (resid  26 and name N   and segid UBI ) (resid  26 and name CA  and segid UBI )
       (resid  26 and name C   and segid UBI ) (resid  27 and name N   and segid UBI ) 1.0  -39.0   24.0 2
assign (resid  27 and name N   and segid UBI ) (resid  27 and name CA  and segid UBI )
       (resid  27 and name C   and segid UBI ) (resid  28 and name N   and segid UBI ) 1.0  -36.0   21.0 2
assign (resid  28 and name N   and segid UBI ) (resid  28 and name CA  and segid UBI )
       (resid  28 and name C   and segid UBI ) (resid  29 and name N   and segid UBI ) 1.0  -43.0   27.0 2
assign (resid  29 and name N   and segid UBI ) (resid  29 and name CA  and segid UBI )
       (resid  29 and name C   and segid UBI ) (resid  30 and name N   and segid UBI ) 1.0  -42.0   12.0 2
assign (resid  30 and name N   and segid UBI ) (resid  30 and name CA  and segid UBI )
       (resid  30 and name C   and segid UBI ) (resid  31 and name N   and segid UBI ) 1.0  -39.0   24.0 2
assign (resid  31 and name N   and segid UBI ) (resid  31 and name CA  and segid UBI )
       (resid  31 and name C   and segid UBI ) (resid  32 and name N   and segid UBI ) 1.0  -38.0   21.0 2
assign (resid  32 and name N   and segid UBI ) (resid  32 and name CA  and segid UBI )
       (resid  32 and name C   and segid UBI ) (resid  33 and name N   and segid UBI ) 1.0  -36.0   24.0 2
assign (resid  33 and name N   and segid UBI ) (resid  33 and name CA  and segid UBI )
       (resid  33 and name C   and segid UBI ) (resid  34 and name N   and segid UBI ) 1.0  -26.0   51.0 2
assign (resid  39 and name N   and segid UBI ) (resid  39 and name CA  and segid UBI )
       (resid  39 and name C   and segid UBI ) (resid  40 and name N   and segid UBI ) 1.0  -14.0   42.0 2
assign (resid  43 and name N   and segid UBI ) (resid  43 and name CA  and segid UBI )
       (resid  43 and name C   and segid UBI ) (resid  44 and name N   and segid UBI ) 1.0  148.0   42.0 2
assign (resid  44 and name N   and segid UBI ) (resid  44 and name CA  and segid UBI )
       (resid  44 and name C   and segid UBI ) (resid  45 and name N   and segid UBI ) 1.0  140.0   33.0 2
assign (resid  57 and name N   and segid UBI ) (resid  57 and name CA  and segid UBI )
       (resid  57 and name C   and segid UBI ) (resid  58 and name N   and segid UBI ) 1.0  -38.0   15.0 2
assign (resid  59 and name N   and segid UBI ) (resid  59 and name CA  and segid UBI )
       (resid  59 and name C   and segid UBI ) (resid  60 and name N   and segid UBI ) 1.0  -21.0   72.0 2
assign (resid  66 and name N   and segid UBI ) (resid  66 and name CA  and segid UBI )
       (resid  66 and name C   and segid UBI ) (resid  67 and name N   and segid UBI ) 1.0  133.0   39.0 2
assign (resid  67 and name N   and segid UBI ) (resid  67 and name CA  and segid UBI )
       (resid  67 and name C   and segid UBI ) (resid  68 and name N   and segid UBI ) 1.0  140.0   33.0 2
assign (resid  69 and name N   and segid UBI ) (resid  69 and name CA  and segid UBI )
       (resid  69 and name C   and segid UBI ) (resid  70 and name N   and segid UBI ) 1.0  123.0   36.0 2
assign (resid  70 and name N   and segid UBI ) (resid  70 and name CA  and segid UBI )
       (resid  70 and name C   and segid UBI ) (resid  71 and name N   and segid UBI ) 1.0  131.0   36.0 2
assign (resid  71 and name N   and segid UBI ) (resid  71 and name CA  and segid UBI )
       (resid  71 and name C   and segid UBI ) (resid  72 and name N   and segid UBI ) 1.0  127.0   36.0 2
assign (resid   5 and name N   and segid UBI ) (resid   5 and name CA  and segid UBI )
       (resid   5 and name CB  and segid UBI ) (resid   5 and name CG1 and segid UBI ) 1.0  180.0   30.0 2
assign (resid  17 and name N   and segid UBI ) (resid  17 and name CA  and segid UBI )
       (resid  17 and name CB  and segid UBI ) (resid  17 and name OG1 and segid UBI ) 1.0  180.0   30.0 2
assign (resid  26 and name N   and segid UBI ) (resid  26 and name CA  and segid UBI )
       (resid  26 and name CB  and segid UBI ) (resid  26 and name OG1 and segid UBI ) 1.0  180.0   30.0 2
assign (resid   3 and name N   and segid UBI ) (resid   3 and name CA  and segid UBI )
       (resid   3 and name CB  and segid UBI ) (resid   3 and name CG1 and segid UBI ) 1.0   60.0   30.0 2
assign (resid  13 and name N   and segid UBI ) (resid  13 and name CA  and segid UBI )
       (resid  13 and name CB  and segid UBI ) (resid  13 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid  23 and name N   and segid UBI ) (resid  23 and name CA  and segid UBI )
       (resid  23 and name CB  and segid UBI ) (resid  23 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid  30 and name N   and segid UBI ) (resid  30 and name CA  and segid UBI )
       (resid  30 and name CB  and segid UBI ) (resid  30 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid  36 and name N   and segid UBI ) (resid  36 and name CA  and segid UBI )
       (resid  36 and name CB  and segid UBI ) (resid  36 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid  44 and name N   and segid UBI ) (resid  44 and name CA  and segid UBI )
       (resid  44 and name CB  and segid UBI ) (resid  44 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid  61 and name N   and segid UBI ) (resid  61 and name CA  and segid UBI )
       (resid  61 and name CB  and segid UBI ) (resid  61 and name CG1 and segid UBI ) 1.0  -60.0   30.0 2
assign (resid 257 and name C   and segid UIM ) (resid 258 and name N   and segid UIM )
       (resid 258 and name CA  and segid UIM ) (resid 258 and name C   and segid UIM ) 1.0  -66.0   30.0 2
assign (resid 258 and name C   and segid UIM ) (resid 259 and name N   and segid UIM )
       (resid 259 and name CA  and segid UIM ) (resid 259 and name C   and segid UIM ) 1.0  -67.0    9.0 2
assign (resid 259 and name C   and segid UIM ) (resid 260 and name N   and segid UIM )
       (resid 260 and name CA  and segid UIM ) (resid 260 and name C   and segid UIM ) 1.0  -64.0   15.0 2
assign (resid 260 and name C   and segid UIM ) (resid 261 and name N   and segid UIM )
       (resid 261 and name CA  and segid UIM ) (resid 261 and name C   and segid UIM ) 1.0  -70.0   36.0 2
assign (resid 261 and name C   and segid UIM ) (resid 262 and name N   and segid UIM )
       (resid 262 and name CA  and segid UIM ) (resid 262 and name C   and segid UIM ) 1.0  -70.0   33.0 2
assign (resid 262 and name C   and segid UIM ) (resid 263 and name N   and segid UIM )
       (resid 263 and name CA  and segid UIM ) (resid 263 and name C   and segid UIM ) 1.0  -69.0   21.0 2
assign (resid 263 and name C   and segid UIM ) (resid 264 and name N   and segid UIM )
       (resid 264 and name CA  and segid UIM ) (resid 264 and name C   and segid UIM ) 1.0  -66.0   18.0 2
assign (resid 264 and name C   and segid UIM ) (resid 265 and name N   and segid UIM )
       (resid 265 and name CA  and segid UIM ) (resid 265 and name C   and segid UIM ) 1.0  -73.0   18.0 2
assign (resid 265 and name C   and segid UIM ) (resid 266 and name N   and segid UIM )
       (resid 266 and name CA  and segid UIM ) (resid 266 and name C   and segid UIM ) 1.0  -68.0   12.0 2
assign (resid 266 and name C   and segid UIM ) (resid 267 and name N   and segid UIM )
       (resid 267 and name CA  and segid UIM ) (resid 267 and name C   and segid UIM ) 1.0  -68.0   24.0 2
assign (resid 267 and name C   and segid UIM ) (resid 268 and name N   and segid UIM )
       (resid 268 and name CA  and segid UIM ) (resid 268 and name C   and segid UIM ) 1.0  -68.0   21.0 2
assign (resid 268 and name C   and segid UIM ) (resid 269 and name N   and segid UIM )
       (resid 269 and name CA  and segid UIM ) (resid 269 and name C   and segid UIM ) 1.0  -65.0   21.0 2
assign (resid 269 and name C   and segid UIM ) (resid 270 and name N   and segid UIM )
       (resid 270 and name CA  and segid UIM ) (resid 270 and name C   and segid UIM ) 1.0  -65.0   21.0 2
assign (resid 270 and name C   and segid UIM ) (resid 271 and name N   and segid UIM )
       (resid 271 and name CA  and segid UIM ) (resid 271 and name C   and segid UIM ) 1.0  -67.0   36.0 2
assign (resid 271 and name C   and segid UIM ) (resid 272 and name N   and segid UIM )
       (resid 272 and name CA  and segid UIM ) (resid 272 and name C   and segid UIM ) 1.0  -64.0   18.0 2
assign (resid 272 and name C   and segid UIM ) (resid 273 and name N   and segid UIM )
       (resid 273 and name CA  and segid UIM ) (resid 273 and name C   and segid UIM ) 1.0  -69.0   39.0 2
assign (resid 258 and name N   and segid UIM ) (resid 258 and name CA  and segid UIM )
       (resid 258 and name C   and segid UIM ) (resid 259 and name N   and segid UIM ) 1.0  -35.0   48.0 2
assign (resid 259 and name N   and segid UIM ) (resid 259 and name CA  and segid UIM )
       (resid 259 and name C   and segid UIM ) (resid 260 and name N   and segid UIM ) 1.0  -39.0   12.0 2
assign (resid 260 and name N   and segid UIM ) (resid 260 and name CA  and segid UIM )
       (resid 260 and name C   and segid UIM ) (resid 261 and name N   and segid UIM ) 1.0  -42.0   21.0 2
assign (resid 261 and name N   and segid UIM ) (resid 261 and name CA  and segid UIM )
       (resid 261 and name C   and segid UIM ) (resid 262 and name N   and segid UIM ) 1.0  -39.0   30.0 2
assign (resid 262 and name N   and segid UIM ) (resid 262 and name CA  and segid UIM )
       (resid 262 and name C   and segid UIM ) (resid 263 and name N   and segid UIM ) 1.0  -39.0   24.0 2
assign (resid 263 and name N   and segid UIM ) (resid 263 and name CA  and segid UIM )
       (resid 263 and name C   and segid UIM ) (resid 264 and name N   and segid UIM ) 1.0  -40.0   27.0 2
assign (resid 264 and name N   and segid UIM ) (resid 264 and name CA  and segid UIM )
       (resid 264 and name C   and segid UIM ) (resid 265 and name N   and segid UIM ) 1.0  -39.0   36.0 2
assign (resid 265 and name N   and segid UIM ) (resid 265 and name CA  and segid UIM )
       (resid 265 and name C   and segid UIM ) (resid 266 and name N   and segid UIM ) 1.0  -35.0   27.0 2
assign (resid 266 and name N   and segid UIM ) (resid 266 and name CA  and segid UIM )
       (resid 266 and name C   and segid UIM ) (resid 267 and name N   and segid UIM ) 1.0  -39.0   27.0 2
assign (resid 267 and name N   and segid UIM ) (resid 267 and name CA  and segid UIM )
       (resid 267 and name C   and segid UIM ) (resid 268 and name N   and segid UIM ) 1.0  -42.0   24.0 2
assign (resid 268 and name N   and segid UIM ) (resid 268 and name CA  and segid UIM )
       (resid 268 and name C   and segid UIM ) (resid 269 and name N   and segid UIM ) 1.0  -37.0   39.0 2
assign (resid 269 and name N   and segid UIM ) (resid 269 and name CA  and segid UIM )
       (resid 269 and name C   and segid UIM ) (resid 270 and name N   and segid UIM ) 1.0  -40.0   27.0 2
assign (resid 270 and name N   and segid UIM ) (resid 270 and name CA  and segid UIM )
       (resid 270 and name C   and segid UIM ) (resid 271 and name N   and segid UIM ) 1.0  -37.0   36.0 2
assign (resid 271 and name N   and segid UIM ) (resid 271 and name CA  and segid UIM )
       (resid 271 and name C   and segid UIM ) (resid 272 and name N   and segid UIM ) 1.0  -30.0   42.0 2
assign (resid 272 and name N   and segid UIM ) (resid 272 and name CA  and segid UIM )
       (resid 272 and name C   and segid UIM ) (resid 273 and name N   and segid UIM ) 1.0  -41.0   27.0 2
assign (resid 273 and name N   and segid UIM ) (resid 273 and name CA  and segid UIM )
       (resid 273 and name C   and segid UIM ) (resid 274 and name N   and segid UIM ) 1.0  -29.0   63.0 2





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    TYR 255          1H        TYR 255 -24.733   4.699  -0.310
    2   2H    TYR 255          2H        TYR 255 -23.125   4.805   0.204
    3   3H    TYR 255          3H        TYR 255 -24.052   3.448   0.604
    4    HA   TYR 255           HA       TYR 255 -24.268   3.406  -2.050
    5   1HB   TYR 255          1HB       TYR 255 -21.559   4.541  -1.329
    6   2HB   TYR 255          2HB       TYR 255 -21.913   3.786  -2.878
    7    HD1  TYR 255           HD1      TYR 255 -23.725   6.285  -0.746
    8    HD2  TYR 255           HD2      TYR 255 -22.049   5.358  -4.545
    9    HE1  TYR 255           HE1      TYR 255 -24.526   8.439  -1.619
   10    HE2  TYR 255           HE2      TYR 255 -22.844   7.510  -5.428
   11    HH   TYR 255           HH       TYR 255 -23.515   9.684  -4.651
   12    HA   PRO 256           HA       PRO 256 -22.884  -0.602  -0.675
   13   1HB   PRO 256          1HB       PRO 256 -23.456  -2.000  -2.891
   14   2HB   PRO 256          2HB       PRO 256 -24.730  -1.353  -1.850
   15   1HG   PRO 256          1HG       PRO 256 -23.661  -0.272  -4.429
   16   2HG   PRO 256          2HG       PRO 256 -25.343  -0.404  -3.884
   17   1HD   PRO 256          1HD       PRO 256 -23.877   1.906  -3.752
   18   2HD   PRO 256          2HD       PRO 256 -25.225   1.529  -2.661
   19    H    GLU 257           H        GLU 257 -20.769   1.082  -1.356
   20    HA   GLU 257           HA       GLU 257 -18.962  -0.823  -2.623
   21   1HB   GLU 257          1HB       GLU 257 -19.210   2.059  -3.503
   22   2HB   GLU 257          2HB       GLU 257 -17.922   0.967  -3.994
   23   1HG   GLU 257          1HG       GLU 257 -19.570  -0.489  -5.065
   24   2HG   GLU 257          2HG       GLU 257 -20.854   0.618  -4.582
   25    H    ASP 258           H        ASP 258 -19.017  -0.511   0.001
   26    HA   ASP 258           HA       ASP 258 -17.608   1.559   1.188
   27   1HB   ASP 258          1HB       ASP 258 -17.106  -0.056   3.007
   28   2HB   ASP 258          2HB       ASP 258 -18.798  -0.071   2.520
   29    H    GLU 259           H        GLU 259 -16.423  -1.217  -0.588
   30    HA   GLU 259           HA       GLU 259 -13.733  -1.090   0.234
   31   1HB   GLU 259          1HB       GLU 259 -14.556  -3.073  -0.833
   32   2HB   GLU 259          2HB       GLU 259 -15.016  -2.173  -2.272
   33   1HG   GLU 259          1HG       GLU 259 -13.008  -3.434  -2.682
   34   2HG   GLU 259          2HG       GLU 259 -12.663  -1.707  -2.727
   35    H    GLU 260           H        GLU 260 -15.375   0.265  -2.621
   36    HA   GLU 260           HA       GLU 260 -13.092   1.458  -3.746
   37   1HB   GLU 260          1HB       GLU 260 -15.174   1.091  -4.999
   38   2HB   GLU 260          2HB       GLU 260 -15.990   2.287  -4.002
   39   1HG   GLU 260          1HG       GLU 260 -15.417   3.252  -6.125
   40   2HG   GLU 260          2HG       GLU 260 -14.464   4.013  -4.854
   41    H    GLU 261           H        GLU 261 -15.634   2.863  -1.667
   42    HA   GLU 261           HA       GLU 261 -14.566   5.446  -1.557
   43   1HB   GLU 261          1HB       GLU 261 -15.965   5.828   0.347
   44   2HB   GLU 261          2HB       GLU 261 -16.846   4.773  -0.748
   45   1HG   GLU 261          1HG       GLU 261 -16.188   2.842   0.634
   46   2HG   GLU 261          2HG       GLU 261 -15.390   3.947   1.754
   47    H    LEU 262           H        LEU 262 -13.940   2.584   0.408
   48    HA   LEU 262           HA       LEU 262 -12.291   3.766   2.341
   49   1HB   LEU 262          1HB       LEU 262 -13.289   1.435   2.348
   50   2HB   LEU 262          2HB       LEU 262 -12.011   0.967   1.247
   51    HG   LEU 262           HG       LEU 262 -11.597   0.331   3.616
   52   1HD1  LEU 262          1HD1      LEU 262  -9.295   0.911   3.645
   53   2HD1  LEU 262          2HD1      LEU 262  -9.574   2.329   2.634
   54   3HD1  LEU 262          3HD1      LEU 262  -9.763   0.712   1.957
   55   1HD2  LEU 262          1HD2      LEU 262 -11.459   1.810   5.329
   56   2HD2  LEU 262          2HD2      LEU 262 -12.604   2.691   4.318
   57   3HD2  LEU 262          3HD2      LEU 262 -10.895   3.125   4.298
   58    H    ILE 263           H        ILE 263 -11.546   2.343  -0.817
   59    HA   ILE 263           HA       ILE 263  -8.764   2.524  -0.681
   60    HB   ILE 263           HB       ILE 263 -10.688   1.828  -2.650
   61   1HG1  ILE 263          1HG1      ILE 263  -7.676   1.576  -2.665
   62   2HG1  ILE 263          2HG1      ILE 263  -8.793   0.467  -1.879
   63   1HG2  ILE 263          1HG2      ILE 263 -10.275   4.034  -3.664
   64   2HG2  ILE 263          2HG2      ILE 263  -9.721   2.713  -4.692
   65   3HG2  ILE 263          3HG2      ILE 263  -8.555   3.652  -3.760
   66   1HD1  ILE 263          1HD1      ILE 263  -8.026   0.693  -4.690
   67   2HD1  ILE 263          2HD1      ILE 263  -9.755   0.476  -4.414
   68   3HD1  ILE 263          3HD1      ILE 263  -8.605  -0.699  -3.774
   69    H    ARG 264           H        ARG 264 -11.116   4.878  -2.010
   70    HA   ARG 264           HA       ARG 264  -9.099   6.780  -2.636
   71   1HB   ARG 264          1HB       ARG 264 -10.938   8.366  -2.975
   72   2HB   ARG 264          2HB       ARG 264 -11.194   6.850  -3.820
   73   1HG   ARG 264          1HG       ARG 264 -13.279   7.274  -2.962
   74   2HG   ARG 264          2HG       ARG 264 -12.596   6.220  -1.725
   75   1HD   ARG 264          1HD       ARG 264 -13.733   8.120  -0.712
   76   2HD   ARG 264          2HD       ARG 264 -12.002   8.180  -0.385
   77    HE   ARG 264           HE       ARG 264 -11.987  10.209  -1.405
   78   1HH1  ARG 264          1HH1      ARG 264 -14.622   8.357  -2.744
   79   2HH1  ARG 264          2HH1      ARG 264 -15.148   9.629  -3.794
   80   1HH2  ARG 264          1HH2      ARG 264 -12.679  11.886  -2.782
   81   2HH2  ARG 264          2HH2      ARG 264 -14.045  11.634  -3.817
   82    H    LYS 265           H        LYS 265 -11.069   6.179   0.199
   83    HA   LYS 265           HA       LYS 265 -10.655   8.562   1.589
   84   1HB   LYS 265          1HB       LYS 265 -10.996   5.715   2.527
   85   2HB   LYS 265          2HB       LYS 265 -10.823   7.049   3.659
   86   1HG   LYS 265          1HG       LYS 265 -12.845   8.039   2.963
   87   2HG   LYS 265          2HG       LYS 265 -12.942   7.015   1.532
   88   1HD   LYS 265          1HD       LYS 265 -14.515   6.259   3.223
   89   2HD   LYS 265          2HD       LYS 265 -13.256   5.049   2.973
   90   1HE   LYS 265          1HE       LYS 265 -12.091   5.855   4.966
   91   2HE   LYS 265          2HE       LYS 265 -13.349   7.065   5.214
   92   1HZ   LYS 265          1HZ       LYS 265 -14.683   5.569   6.151
   93   2HZ   LYS 265          2HZ       LYS 265 -13.326   4.565   6.268
   94   3HZ   LYS 265          3HZ       LYS 265 -14.386   4.404   4.960
   95    H    ALA 266           H        ALA 266  -8.722   5.617   1.407
   96    HA   ALA 266           HA       ALA 266  -6.621   6.520   3.087
   97   1HB   ALA 266          1HB       ALA 266  -5.529   4.551   2.546
   98   2HB   ALA 266          2HB       ALA 266  -6.187   4.513   0.910
   99   3HB   ALA 266          3HB       ALA 266  -7.217   4.109   2.284
  100    H    ILE 267           H        ILE 267  -7.307   6.688  -0.355
  101    HA   ILE 267           HA       ILE 267  -4.847   7.557  -1.314
  102    HB   ILE 267           HB       ILE 267  -7.634   8.181  -2.267
  103   1HG1  ILE 267          1HG1      ILE 267  -5.481   6.337  -3.329
  104   2HG1  ILE 267          2HG1      ILE 267  -6.898   5.831  -2.416
  105   1HG2  ILE 267          1HG2      ILE 267  -5.266   9.559  -2.949
  106   2HG2  ILE 267          2HG2      ILE 267  -6.861   9.696  -3.690
  107   3HG2  ILE 267          3HG2      ILE 267  -5.691   8.538  -4.323
  108   1HD1  ILE 267          1HD1      ILE 267  -8.042   7.212  -4.451
  109   2HD1  ILE 267          2HD1      ILE 267  -7.781   5.467  -4.433
  110   3HD1  ILE 267          3HD1      ILE 267  -6.623   6.524  -5.242
  111    H    GLU 268           H        GLU 268  -7.583   9.472  -0.112
  112    HA   GLU 268           HA       GLU 268  -6.364  11.991  -0.471
  113   1HB   GLU 268          1HB       GLU 268  -8.562  11.167   1.430
  114   2HB   GLU 268          2HB       GLU 268  -8.137  12.826   1.033
  115   1HG   GLU 268          1HG       GLU 268  -8.733  12.418  -1.303
  116   2HG   GLU 268          2HG       GLU 268  -9.168  10.758  -0.897
  117    H    LEU 269           H        LEU 269  -6.614   9.848   2.352
  118    HA   LEU 269           HA       LEU 269  -5.414  11.505   4.239
  119   1HB   LEU 269          1HB       LEU 269  -5.293   8.498   3.998
  120   2HB   LEU 269          2HB       LEU 269  -4.804   9.400   5.421
  121    HG   LEU 269           HG       LEU 269  -7.600   9.373   4.278
  122   1HD1  LEU 269          1HD1      LEU 269  -7.414   7.254   5.147
  123   2HD1  LEU 269          2HD1      LEU 269  -7.950   8.158   6.564
  124   3HD1  LEU 269          3HD1      LEU 269  -6.247   7.742   6.376
  125   1HD2  LEU 269          1HD2      LEU 269  -6.730  10.357   6.979
  126   2HD2  LEU 269          2HD2      LEU 269  -8.260  10.630   6.146
  127   3HD2  LEU 269          3HD2      LEU 269  -6.790  11.418   5.572
  128    H    SER 270           H        SER 270  -3.901   9.193   2.008
  129    HA   SER 270           HA       SER 270  -1.260   9.576   2.929
  130   1HB   SER 270          1HB       SER 270  -1.849   7.611   1.623
  131   2HB   SER 270          2HB       SER 270  -2.265   8.621   0.237
  132    HG   SER 270           HG       SER 270  -0.084   9.245   0.117
  133    H    LEU 271           H        LEU 271  -3.106  11.080   0.300
  134    HA   LEU 271           HA       LEU 271  -1.057  12.600  -0.824
  135   1HB   LEU 271          1HB       LEU 271  -4.010  13.162  -0.612
  136   2HB   LEU 271          2HB       LEU 271  -2.908  14.136  -1.567
  137    HG   LEU 271           HG       LEU 271  -3.446  11.196  -2.007
  138   1HD1  LEU 271          1HD1      LEU 271  -4.402  12.265  -4.198
  139   2HD1  LEU 271          2HD1      LEU 271  -4.617  13.678  -3.165
  140   3HD1  LEU 271          3HD1      LEU 271  -5.394  12.152  -2.745
  141   1HD2  LEU 271          1HD2      LEU 271  -2.287  12.637  -4.214
  142   2HD2  LEU 271          2HD2      LEU 271  -1.720  11.175  -3.406
  143   3HD2  LEU 271          3HD2      LEU 271  -1.265  12.760  -2.782
  144    H    LYS 272           H        LYS 272  -3.159  13.302   1.928
  145    HA   LYS 272           HA       LYS 272  -2.469  15.980   2.316
  146   1HB   LYS 272          1HB       LYS 272  -3.207  13.889   4.373
  147   2HB   LYS 272          2HB       LYS 272  -3.160  15.619   4.674
  148   1HG   LYS 272          1HG       LYS 272  -4.961  14.250   2.686
  149   2HG   LYS 272          2HG       LYS 272  -5.435  14.793   4.296
  150   1HD   LYS 272          1HD       LYS 272  -4.428  16.557   2.063
  151   2HD   LYS 272          2HD       LYS 272  -6.110  16.395   2.568
  152   1HE   LYS 272          1HE       LYS 272  -3.829  17.458   4.232
  153   2HE   LYS 272          2HE       LYS 272  -5.127  18.408   3.509
  154   1HZ   LYS 272          1HZ       LYS 272  -5.376  16.388   5.667
  155   2HZ   LYS 272          2HZ       LYS 272  -6.700  17.090   4.883
  156   3HZ   LYS 272          3HZ       LYS 272  -5.644  18.054   5.787
  157    H    GLU 273           H        GLU 273  -0.983  13.033   3.624
  158    HA   GLU 273           HA       GLU 273   0.982  14.348   5.168
  159   1HB   GLU 273          1HB       GLU 273   1.026  11.570   3.978
  160   2HB   GLU 273          2HB       GLU 273   2.098  12.154   5.244
  161   1HG   GLU 273          1HG       GLU 273   0.187  12.474   6.724
  162   2HG   GLU 273          2HG       GLU 273  -0.894  11.902   5.455
  163    H    SER 274           H        SER 274   1.120  12.880   1.930
  164    HA   SER 274           HA       SER 274   3.823  13.775   1.496
  165   1HB   SER 274          1HB       SER 274   1.818  12.533  -0.403
  166   2HB   SER 274          2HB       SER 274   3.519  12.819  -0.770
  167    HG   SER 274           HG       SER 274   2.677  11.271   1.444
  168    H    ARG 275           H        ARG 275   2.195  15.942   2.128
  169    HA   ARG 275           HA       ARG 275   1.175  17.314  -0.112
  170   1HB   ARG 275          1HB       ARG 275   1.317  19.331   1.351
  171   2HB   ARG 275          2HB       ARG 275   0.487  17.970   2.091
  172   1HG   ARG 275          1HG       ARG 275   2.489  17.429   3.370
  173   2HG   ARG 275          2HG       ARG 275   3.340  18.778   2.614
  174   1HD   ARG 275          1HD       ARG 275   1.768  20.347   3.598
  175   2HD   ARG 275          2HD       ARG 275   0.853  19.016   4.305
  176    HE   ARG 275           HE       ARG 275   3.113  20.251   5.422
  177   1HH1  ARG 275          1HH1      ARG 275   1.774  17.068   4.916
  178   2HH1  ARG 275          2HH1      ARG 275   2.566  16.379   6.294
  179   1HH2  ARG 275          1HH2      ARG 275   4.152  19.349   7.235
  180   2HH2  ARG 275          2HH2      ARG 275   3.918  17.674   7.610
  181    H    ASN 276           H        ASN 276   4.332  17.458   1.503
  182    HA   ASN 276           HA       ASN 276   5.357  19.405  -0.353
  183   1HB   ASN 276          1HB       ASN 276   7.493  19.080   0.846
  184   2HB   ASN 276          2HB       ASN 276   6.157  19.398   1.949
  185   1HD2  ASN 276          1HD2      ASN 276   8.813  17.572   1.515
  186   2HD2  ASN 276          2HD2      ASN 276   8.399  16.198   2.476
  187    H    SER 277           H        SER 277   4.390  17.205  -1.745
  188    HA   SER 277           HA       SER 277   4.911  15.613  -3.288
  189   1HB   SER 277          1HB       SER 277   6.815  16.173  -4.750
  190   2HB   SER 277          2HB       SER 277   5.843  17.597  -4.383
  191    HG   SER 277           HG       SER 277   8.224  16.878  -3.017
  192    H    ALA 278           H        ALA 278   5.512  14.777  -0.711
  193    HA   ALA 278           HA       ALA 278   7.208  12.584  -1.205
  194   1HB   ALA 278          1HB       ALA 278   8.455  14.468   0.767
  195   2HB   ALA 278          2HB       ALA 278   8.862  14.534  -0.948
  196   3HB   ALA 278          3HB       ALA 278   9.163  13.061  -0.027
  197   1H    MET   1          1H        MET   1  16.552  -1.633   1.602
  198   2H    MET   1          2H        MET   1  17.089  -1.024   3.086
  199   3H    MET   1          3H        MET   1  17.561  -0.275   1.645
  200    HA   MET   1           HA       MET   1  15.889   1.070   2.613
  201   1HB   MET   1          1HB       MET   1  15.837   0.771   0.176
  202   2HB   MET   1          2HB       MET   1  14.775  -0.618   0.362
  203   1HG   MET   1          1HG       MET   1  13.047   0.811   1.303
  204   2HG   MET   1          2HG       MET   1  14.111   2.208   1.156
  205   1HE   MET   1          1HE       MET   1  12.171   3.385   0.061
  206   2HE   MET   1          2HE       MET   1  11.043   2.066  -0.253
  207   3HE   MET   1          3HE       MET   1  11.580   3.102  -1.576
  208    H    GLN   2           H        GLN   2  14.041   1.318   3.805
  209    HA   GLN   2           HA       GLN   2  12.501  -1.098   4.454
  210   1HB   GLN   2          1HB       GLN   2  13.543   0.917   6.452
  211   2HB   GLN   2          2HB       GLN   2  12.437  -0.398   6.826
  212   1HG   GLN   2          1HG       GLN   2  14.147  -2.017   6.150
  213   2HG   GLN   2          2HG       GLN   2  15.256  -0.689   5.811
  214   1HE2  GLN   2          1HE2      GLN   2  16.683  -0.378   7.345
  215   2HE2  GLN   2          2HE2      GLN   2  16.444  -0.631   9.037
  216    H    ILE   3           H        ILE   3  10.340  -0.790   4.910
  217    HA   ILE   3           HA       ILE   3   9.261   1.924   4.875
  218    HB   ILE   3           HB       ILE   3   7.555   1.310   3.189
  219   1HG1  ILE   3          1HG1      ILE   3   9.301  -1.120   2.739
  220   2HG1  ILE   3          2HG1      ILE   3   7.703  -1.143   3.475
  221   1HG2  ILE   3          1HG2      ILE   3   9.980   0.848   1.634
  222   2HG2  ILE   3          2HG2      ILE   3  10.120   2.177   2.785
  223   3HG2  ILE   3          3HG2      ILE   3   8.834   2.187   1.579
  224   1HD1  ILE   3          1HD1      ILE   3   7.230  -1.756   1.320
  225   2HD1  ILE   3          2HD1      ILE   3   8.476  -0.713   0.634
  226   3HD1  ILE   3          3HD1      ILE   3   6.976  -0.012   1.241
  227    H    PHE   4           H        PHE   4   7.253   2.132   5.877
  228    HA   PHE   4           HA       PHE   4   6.490  -0.184   7.498
  229   1HB   PHE   4          1HB       PHE   4   6.319   2.745   7.851
  230   2HB   PHE   4          2HB       PHE   4   4.979   1.812   8.507
  231    HD1  PHE   4           HD1      PHE   4   8.676   2.137   8.584
  232    HD2  PHE   4           HD2      PHE   4   5.174   0.708  10.535
  233    HE1  PHE   4           HE1      PHE   4  10.007   1.613  10.587
  234    HE2  PHE   4           HE2      PHE   4   6.496   0.182  12.539
  235    HZ   PHE   4           HZ       PHE   4   8.916   0.638  12.569
  236    H    VAL   5           H        VAL   5   4.686  -1.279   7.192
  237    HA   VAL   5           HA       VAL   5   2.766  -0.326   5.203
  238    HB   VAL   5           HB       VAL   5   2.926  -3.017   6.580
  239   1HG1  VAL   5          1HG1      VAL   5   1.459  -2.605   4.031
  240   2HG1  VAL   5          2HG1      VAL   5   0.703  -2.017   5.512
  241   3HG1  VAL   5          3HG1      VAL   5   1.134  -3.720   5.357
  242   1HG2  VAL   5          1HG2      VAL   5   4.661  -3.376   5.217
  243   2HG2  VAL   5          2HG2      VAL   5   4.347  -1.905   4.297
  244   3HG2  VAL   5          3HG2      VAL   5   3.482  -3.390   3.906
  245    H    LYS   6           H        LYS   6   0.967   0.667   5.857
  246    HA   LYS   6           HA       LYS   6   0.127   0.339   8.650
  247   1HB   LYS   6          1HB       LYS   6   0.623   2.634   7.986
  248   2HB   LYS   6          2HB       LYS   6  -0.522   2.516   6.657
  249   1HG   LYS   6          1HG       LYS   6  -2.345   2.219   8.276
  250   2HG   LYS   6          2HG       LYS   6  -1.183   2.395   9.593
  251   1HD   LYS   6          1HD       LYS   6  -0.632   4.649   8.785
  252   2HD   LYS   6          2HD       LYS   6  -1.823   4.469   7.495
  253   1HE   LYS   6          1HE       LYS   6  -2.382   4.430  10.459
  254   2HE   LYS   6          2HE       LYS   6  -2.737   5.755   9.352
  255   1HZ   LYS   6          1HZ       LYS   6  -4.742   4.744   9.344
  256   2HZ   LYS   6          2HZ       LYS   6  -4.119   3.215   9.715
  257   3HZ   LYS   6          3HZ       LYS   6  -4.024   3.805   8.133
  258    H    THR   7           H        THR   7  -1.567  -0.902   9.040
  259    HA   THR   7           HA       THR   7  -3.283  -1.786   6.909
  260    HB   THR   7           HB       THR   7  -4.459  -3.062   8.712
  261    HG1  THR   7           HG1      THR   7  -2.649  -2.898  10.628
  262   1HG2  THR   7          1HG2      THR   7  -2.830  -4.723   8.829
  263   2HG2  THR   7          2HG2      THR   7  -1.510  -3.558   8.928
  264   3HG2  THR   7          3HG2      THR   7  -2.354  -3.807   7.397
  265    H    LEU   8           H        LEU   8  -5.446  -1.325   6.628
  266    HA   LEU   8           HA       LEU   8  -6.351   1.227   7.093
  267   1HB   LEU   8          1HB       LEU   8  -7.289  -0.494   5.502
  268   2HB   LEU   8          2HB       LEU   8  -8.146  -1.188   6.862
  269    HG   LEU   8           HG       LEU   8  -9.508   0.317   5.380
  270   1HD1  LEU   8          1HD1      LEU   8  -9.649   1.707   7.941
  271   2HD1  LEU   8          2HD1      LEU   8  -9.621  -0.050   8.086
  272   3HD1  LEU   8          3HD1      LEU   8 -10.860   0.734   7.106
  273   1HD2  LEU   8          1HD2      LEU   8  -7.500   1.973   5.247
  274   2HD2  LEU   8          2HD2      LEU   8  -8.202   2.640   6.721
  275   3HD2  LEU   8          3HD2      LEU   8  -9.154   2.585   5.238
  276    H    THR   9           H        THR   9  -6.727  -1.627   9.127
  277    HA   THR   9           HA       THR   9  -8.582  -0.576  10.953
  278    HB   THR   9           HB       THR   9  -8.110  -2.949  10.935
  279    HG1  THR   9           HG1      THR   9  -7.142  -2.632  13.424
  280   1HG2  THR   9          1HG2      THR   9  -5.683  -2.738  10.376
  281   2HG2  THR   9          2HG2      THR   9  -6.025  -3.896  11.662
  282   3HG2  THR   9          3HG2      THR   9  -5.385  -2.301  12.059
  283    H    GLY  10           H        GLY  10  -5.033  -0.447  10.900
  284   1HA   GLY  10          1HA       GLY  10  -4.233   1.798  11.763
  285   2HA   GLY  10          2HA       GLY  10  -5.164   1.403  13.199
  286    H    LYS  11           H        LYS  11  -2.619  -0.068  11.150
  287    HA   LYS  11           HA       LYS  11  -0.978  -0.455  13.506
  288   1HB   LYS  11          1HB       LYS  11  -2.468  -2.438  13.472
  289   2HB   LYS  11          2HB       LYS  11  -1.873  -2.831  11.867
  290   1HG   LYS  11          1HG       LYS  11   0.375  -3.134  12.761
  291   2HG   LYS  11          2HG       LYS  11  -0.211  -2.723  14.374
  292   1HD   LYS  11          1HD       LYS  11  -1.710  -4.651  14.324
  293   2HD   LYS  11          2HD       LYS  11  -1.128  -5.065  12.710
  294   1HE   LYS  11          1HE       LYS  11   1.130  -5.369  13.608
  295   2HE   LYS  11          2HE       LYS  11   0.545  -4.956  15.219
  296   1HZ   LYS  11          1HZ       LYS  11  -0.532  -7.230  13.653
  297   2HZ   LYS  11          2HZ       LYS  11  -0.754  -6.907  15.299
  298   3HZ   LYS  11          3HZ       LYS  11   0.764  -7.389  14.729
  299    H    THR  12           H        THR  12   0.956   0.226  12.901
  300    HA   THR  12           HA       THR  12   1.809  -0.038  10.119
  301    HB   THR  12           HB       THR  12   3.657   1.471  10.762
  302    HG1  THR  12           HG1      THR  12   2.360   1.494  13.300
  303   1HG2  THR  12          1HG2      THR  12   1.189   2.784  11.803
  304   2HG2  THR  12          2HG2      THR  12   1.217   2.207  10.137
  305   3HG2  THR  12          3HG2      THR  12   2.399   3.399  10.677
  306    H    ILE  13           H        ILE  13   3.607  -1.214   9.495
  307    HA   ILE  13           HA       ILE  13   5.134  -2.590  11.590
  308    HB   ILE  13           HB       ILE  13   3.801  -4.005   9.281
  309   1HG1  ILE  13          1HG1      ILE  13   3.428  -4.270  12.273
  310   2HG1  ILE  13          2HG1      ILE  13   2.296  -3.506  11.162
  311   1HG2  ILE  13          1HG2      ILE  13   6.170  -4.651  10.772
  312   2HG2  ILE  13          2HG2      ILE  13   5.440  -5.498   9.407
  313   3HG2  ILE  13          3HG2      ILE  13   4.919  -5.862  11.053
  314   1HD1  ILE  13          1HD1      ILE  13   2.492  -6.231  11.917
  315   2HD1  ILE  13          2HD1      ILE  13   2.809  -6.101  10.187
  316   3HD1  ILE  13          3HD1      ILE  13   1.313  -5.454  10.861
  317    H    THR  14           H        THR  14   7.241  -2.869  11.150
  318    HA   THR  14           HA       THR  14   8.446  -1.495   8.997
  319    HB   THR  14           HB       THR  14   9.684  -3.633  10.748
  320    HG1  THR  14           HG1      THR  14   9.014  -2.022  12.103
  321   1HG2  THR  14          1HG2      THR  14  10.784  -1.641   8.810
  322   2HG2  THR  14          2HG2      THR  14  11.230  -3.329   9.059
  323   3HG2  THR  14          3HG2      THR  14  11.740  -2.102  10.218
  324    H    LEU  15           H        LEU  15   9.251  -2.202   7.052
  325    HA   LEU  15           HA       LEU  15   9.303  -5.040   6.456
  326   1HB   LEU  15          1HB       LEU  15   7.002  -4.488   5.944
  327   2HB   LEU  15          2HB       LEU  15   7.511  -3.120   4.971
  328    HG   LEU  15           HG       LEU  15   8.536  -4.644   3.346
  329   1HD1  LEU  15          1HD1      LEU  15   7.247  -7.048   4.407
  330   2HD1  LEU  15          2HD1      LEU  15   8.607  -6.467   5.368
  331   3HD1  LEU  15          3HD1      LEU  15   8.832  -6.843   3.660
  332   1HD2  LEU  15          1HD2      LEU  15   6.428  -4.126   2.637
  333   2HD2  LEU  15          2HD2      LEU  15   5.656  -4.833   4.056
  334   3HD2  LEU  15          3HD2      LEU  15   6.283  -5.877   2.781
  335    H    GLU  16           H        GLU  16  11.325  -5.194   5.779
  336    HA   GLU  16           HA       GLU  16  12.621  -3.090   4.294
  337   1HB   GLU  16          1HB       GLU  16  13.776  -4.501   6.013
  338   2HB   GLU  16          2HB       GLU  16  13.625  -5.873   4.927
  339   1HG   GLU  16          1HG       GLU  16  15.101  -3.335   4.265
  340   2HG   GLU  16          2HG       GLU  16  15.855  -4.791   4.909
  341    H    VAL  17           H        VAL  17  12.878  -2.957   2.146
  342    HA   VAL  17           HA       VAL  17  12.619  -5.300   0.454
  343    HB   VAL  17           HB       VAL  17  10.937  -4.218  -1.033
  344   1HG1  VAL  17          1HG1      VAL  17   8.992  -4.795   0.299
  345   2HG1  VAL  17          2HG1      VAL  17   9.955  -4.719   1.774
  346   3HG1  VAL  17          3HG1      VAL  17  10.285  -5.963   0.568
  347   1HG2  VAL  17          1HG2      VAL  17  10.977  -2.191   1.156
  348   2HG2  VAL  17          2HG2      VAL  17   9.480  -2.483   0.269
  349   3HG2  VAL  17          3HG2      VAL  17  10.928  -1.959  -0.592
  350    H    GLU  18           H        GLU  18  13.910  -5.164  -1.280
  351    HA   GLU  18           HA       GLU  18  15.680  -2.969  -1.577
  352   1HB   GLU  18          1HB       GLU  18  15.135  -5.270  -3.463
  353   2HB   GLU  18          2HB       GLU  18  16.506  -4.174  -3.563
  354   1HG   GLU  18          1HG       GLU  18  15.929  -6.013  -1.251
  355   2HG   GLU  18          2HG       GLU  18  17.072  -6.342  -2.552
  356    H    SER  19           H        SER  19  15.702  -1.293  -3.000
  357    HA   SER  19           HA       SER  19  13.307  -0.292  -4.007
  358   1HB   SER  19          1HB       SER  19  14.702   1.337  -5.233
  359   2HB   SER  19          2HB       SER  19  15.246   1.134  -3.568
  360    HG   SER  19           HG       SER  19  16.417   0.158  -5.943
  361    H    SER  20           H        SER  20  15.869  -2.112  -5.631
  362    HA   SER  20           HA       SER  20  14.853  -1.941  -8.241
  363   1HB   SER  20          1HB       SER  20  17.134  -2.696  -7.770
  364   2HB   SER  20          2HB       SER  20  16.505  -4.141  -6.978
  365    HG   SER  20           HG       SER  20  16.837  -3.610  -9.636
  366    H    ASP  21           H        ASP  21  14.253  -4.269  -5.649
  367    HA   ASP  21           HA       ASP  21  12.765  -6.138  -7.086
  368   1HB   ASP  21          1HB       ASP  21  12.510  -5.322  -4.185
  369   2HB   ASP  21          2HB       ASP  21  11.792  -6.768  -4.889
  370    H    THR  22           H        THR  22  10.714  -6.264  -7.777
  371    HA   THR  22           HA       THR  22   9.156  -3.879  -7.935
  372    HB   THR  22           HB       THR  22   9.054  -5.356  -9.795
  373    HG1  THR  22           HG1      THR  22   6.554  -6.034  -8.976
  374   1HG2  THR  22          1HG2      THR  22   9.576  -7.420  -8.422
  375   2HG2  THR  22          2HG2      THR  22   8.411  -7.633  -9.729
  376   3HG2  THR  22          3HG2      THR  22   7.851  -7.498  -8.062
  377    H    ILE  23           H        ILE  23   6.673  -4.224  -7.584
  378    HA   ILE  23           HA       ILE  23   6.234  -4.222  -4.804
  379    HB   ILE  23           HB       ILE  23   4.234  -4.451  -7.054
  380   1HG1  ILE  23          1HG1      ILE  23   5.598  -2.409  -7.125
  381   2HG1  ILE  23          2HG1      ILE  23   3.926  -2.043  -6.714
  382   1HG2  ILE  23          1HG2      ILE  23   2.875  -3.292  -5.029
  383   2HG2  ILE  23          2HG2      ILE  23   3.913  -4.401  -4.132
  384   3HG2  ILE  23          3HG2      ILE  23   2.837  -5.019  -5.386
  385   1HD1  ILE  23          1HD1      ILE  23   4.468  -1.255  -4.687
  386   2HD1  ILE  23          2HD1      ILE  23   6.062  -1.055  -5.413
  387   3HD1  ILE  23          3HD1      ILE  23   5.714  -2.475  -4.426
  388    H    ASP  24           H        ASP  24   5.663  -6.688  -7.272
  389    HA   ASP  24           HA       ASP  24   4.146  -8.517  -5.912
  390   1HB   ASP  24          1HB       ASP  24   4.824  -8.808  -8.249
  391   2HB   ASP  24          2HB       ASP  24   6.483  -9.111  -7.741
  392    H    ASN  25           H        ASN  25   7.658  -8.074  -5.705
  393    HA   ASN  25           HA       ASN  25   8.201 -10.236  -3.995
  394   1HB   ASN  25          1HB       ASN  25   9.949  -8.977  -5.214
  395   2HB   ASN  25          2HB       ASN  25   9.649  -7.582  -4.182
  396   1HD2  ASN  25          1HD2      ASN  25  11.074  -7.348  -2.639
  397   2HD2  ASN  25          2HD2      ASN  25  11.919  -8.613  -1.821
  398    H    VAL  26           H        VAL  26   7.440  -6.843  -3.318
  399    HA   VAL  26           HA       VAL  26   7.695  -6.892  -0.541
  400    HB   VAL  26           HB       VAL  26   5.738  -5.261  -2.168
  401   1HG1  VAL  26          1HG1      VAL  26   5.257  -5.304   0.250
  402   2HG1  VAL  26          2HG1      VAL  26   5.749  -3.707  -0.313
  403   3HG1  VAL  26          3HG1      VAL  26   6.892  -4.723   0.566
  404   1HG2  VAL  26          1HG2      VAL  26   7.588  -4.382  -3.066
  405   2HG2  VAL  26          2HG2      VAL  26   8.638  -5.140  -1.868
  406   3HG2  VAL  26          3HG2      VAL  26   7.829  -3.618  -1.495
  407    H    LYS  27           H        LYS  27   4.847  -7.523  -2.573
  408    HA   LYS  27           HA       LYS  27   3.023  -7.974  -0.498
  409   1HB   LYS  27          1HB       LYS  27   3.069  -9.163  -3.278
  410   2HB   LYS  27          2HB       LYS  27   1.691  -9.197  -2.187
  411   1HG   LYS  27          1HG       LYS  27   2.974  -6.716  -3.314
  412   2HG   LYS  27          2HG       LYS  27   1.468  -7.450  -3.871
  413   1HD   LYS  27          1HD       LYS  27   0.463  -7.066  -1.675
  414   2HD   LYS  27          2HD       LYS  27   1.973  -6.353  -1.103
  415   1HE   LYS  27          1HE       LYS  27   0.361  -4.626  -1.714
  416   2HE   LYS  27          2HE       LYS  27   1.773  -4.579  -2.768
  417   1HZ   LYS  27          1HZ       LYS  27   0.024  -6.255  -4.036
  418   2HZ   LYS  27          2HZ       LYS  27   0.335  -4.642  -4.442
  419   3HZ   LYS  27          3HZ       LYS  27  -0.967  -5.023  -3.431
  420    H    SER  28           H        SER  28   5.297 -10.123  -2.121
  421    HA   SER  28           HA       SER  28   4.418 -12.559  -1.070
  422   1HB   SER  28          1HB       SER  28   7.250 -11.707  -1.731
  423   2HB   SER  28          2HB       SER  28   6.710 -13.370  -1.508
  424    HG   SER  28           HG       SER  28   5.078 -12.492  -3.258
  425    H    LYS  29           H        LYS  29   6.866 -10.292   0.172
  426    HA   LYS  29           HA       LYS  29   7.501 -11.720   2.504
  427   1HB   LYS  29          1HB       LYS  29   7.590  -8.742   1.989
  428   2HB   LYS  29          2HB       LYS  29   8.337  -9.542   3.364
  429   1HG   LYS  29          1HG       LYS  29   9.779 -10.805   1.847
  430   2HG   LYS  29          2HG       LYS  29   9.033  -9.994   0.469
  431   1HD   LYS  29          1HD       LYS  29   9.825  -7.840   1.299
  432   2HD   LYS  29          2HD       LYS  29  10.546  -8.636   2.699
  433   1HE   LYS  29          1HE       LYS  29  12.013  -9.911   1.209
  434   2HE   LYS  29          2HE       LYS  29  11.299  -9.101  -0.185
  435   1HZ   LYS  29          1HZ       LYS  29  13.293  -7.976   0.297
  436   2HZ   LYS  29          2HZ       LYS  29  12.964  -7.907   1.955
  437   3HZ   LYS  29          3HZ       LYS  29  12.062  -6.969   0.875
  438    H    ILE  30           H        ILE  30   5.079  -9.216   1.892
  439    HA   ILE  30           HA       ILE  30   4.137  -8.902   4.508
  440    HB   ILE  30           HB       ILE  30   2.619  -8.637   1.904
  441   1HG1  ILE  30          1HG1      ILE  30   3.988  -6.544   3.608
  442   2HG1  ILE  30          2HG1      ILE  30   4.630  -7.199   2.106
  443   1HG2  ILE  30          1HG2      ILE  30   1.122  -7.146   3.225
  444   2HG2  ILE  30          2HG2      ILE  30   1.944  -7.695   4.685
  445   3HG2  ILE  30          3HG2      ILE  30   1.043  -8.844   3.696
  446   1HD1  ILE  30          1HD1      ILE  30   1.980  -6.248   1.653
  447   2HD1  ILE  30          2HD1      ILE  30   3.499  -5.704   0.940
  448   3HD1  ILE  30          3HD1      ILE  30   2.929  -4.994   2.451
  449    H    GLN  31           H        GLN  31   3.275 -11.201   1.982
  450    HA   GLN  31           HA       GLN  31   1.057 -12.365   3.266
  451   1HB   GLN  31          1HB       GLN  31   1.476 -12.694   0.893
  452   2HB   GLN  31          2HB       GLN  31   2.981 -13.531   1.246
  453   1HG   GLN  31          1HG       GLN  31   1.696 -15.299   2.383
  454   2HG   GLN  31          2HG       GLN  31   0.207 -14.473   1.929
  455   1HE2  GLN  31          1HE2      GLN  31   2.194 -16.930   1.122
  456   2HE2  GLN  31          2HE2      GLN  31   1.828 -17.073  -0.560
  457    H    ASP  32           H        ASP  32   4.486 -13.313   3.194
  458    HA   ASP  32           HA       ASP  32   4.252 -15.618   4.733
  459   1HB   ASP  32          1HB       ASP  32   6.581 -13.722   4.420
  460   2HB   ASP  32          2HB       ASP  32   6.675 -15.346   5.071
  461    H    LYS  33           H        LYS  33   4.903 -12.263   5.713
  462    HA   LYS  33           HA       LYS  33   5.239 -12.957   8.471
  463   1HB   LYS  33          1HB       LYS  33   6.311 -10.989   7.327
  464   2HB   LYS  33          2HB       LYS  33   4.733 -10.215   7.320
  465   1HG   LYS  33          1HG       LYS  33   4.666 -10.240   9.735
  466   2HG   LYS  33          2HG       LYS  33   6.199 -11.112   9.791
  467   1HD   LYS  33          1HD       LYS  33   7.293  -9.206   8.676
  468   2HD   LYS  33          2HD       LYS  33   5.760  -8.333   8.698
  469   1HE   LYS  33          1HE       LYS  33   5.741  -8.405  11.134
  470   2HE   LYS  33          2HE       LYS  33   7.248  -9.320  11.129
  471   1HZ   LYS  33          1HZ       LYS  33   8.437  -7.474  10.843
  472   2HZ   LYS  33          2HZ       LYS  33   7.042  -6.620  11.273
  473   3HZ   LYS  33          3HZ       LYS  33   7.410  -6.871   9.641
  474    H    GLU  34           H        GLU  34   2.788 -10.881   6.898
  475    HA   GLU  34           HA       GLU  34   1.080 -11.012   9.186
  476   1HB   GLU  34          1HB       GLU  34   0.579  -9.909   6.423
  477   2HB   GLU  34          2HB       GLU  34  -0.505  -9.711   7.793
  478   1HG   GLU  34          1HG       GLU  34   1.345  -8.569   9.005
  479   2HG   GLU  34          2HG       GLU  34   2.293  -8.643   7.520
  480    H    GLY  35           H        GLY  35   1.045 -12.565   5.997
  481   1HA   GLY  35          1HA       GLY  35   0.065 -14.668   5.571
  482   2HA   GLY  35          2HA       GLY  35  -0.846 -14.521   7.066
  483    H    ILE  36           H        ILE  36  -0.558 -12.535   4.123
  484    HA   ILE  36           HA       ILE  36  -3.439 -12.857   3.673
  485    HB   ILE  36           HB       ILE  36  -2.025 -10.184   3.700
  486   1HG1  ILE  36          1HG1      ILE  36  -4.198 -11.258   5.514
  487   2HG1  ILE  36          2HG1      ILE  36  -2.500 -11.105   5.954
  488   1HG2  ILE  36          1HG2      ILE  36  -4.638  -9.579   3.551
  489   2HG2  ILE  36          2HG2      ILE  36  -4.623 -11.086   2.636
  490   3HG2  ILE  36          3HG2      ILE  36  -3.595  -9.743   2.138
  491   1HD1  ILE  36          1HD1      ILE  36  -3.127  -9.142   6.808
  492   2HD1  ILE  36          2HD1      ILE  36  -4.611  -9.089   5.856
  493   3HD1  ILE  36          3HD1      ILE  36  -3.083  -8.578   5.138
  494    HA   PRO  37           HA       PRO  37  -2.035 -13.660  -0.477
  495   1HB   PRO  37          1HB       PRO  37  -4.751 -12.690  -1.203
  496   2HB   PRO  37          2HB       PRO  37  -3.949 -14.208  -1.620
  497   1HG   PRO  37          1HG       PRO  37  -5.878 -14.159   0.210
  498   2HG   PRO  37          2HG       PRO  37  -4.448 -15.187   0.426
  499   1HD   PRO  37          1HD       PRO  37  -5.112 -12.566   1.708
  500   2HD   PRO  37          2HD       PRO  37  -4.343 -14.004   2.412
  501    HA   PRO  38           HA       PRO  38  -0.683  -9.652  -1.847
  502   1HB   PRO  38          1HB       PRO  38  -0.471 -10.963  -4.501
  503   2HB   PRO  38          2HB       PRO  38   0.762 -10.114  -3.563
  504   1HG   PRO  38          1HG       PRO  38   0.793 -12.770  -3.772
  505   2HG   PRO  38          2HG       PRO  38   1.228 -11.968  -2.251
  506   1HD   PRO  38          1HD       PRO  38  -1.315 -13.351  -3.008
  507   2HD   PRO  38          2HD       PRO  38  -0.440 -13.367  -1.462
  508    H    ASP  39           H        ASP  39  -2.826 -11.465  -4.044
  509    HA   ASP  39           HA       ASP  39  -3.778  -9.259  -5.487
  510   1HB   ASP  39          1HB       ASP  39  -4.051 -11.598  -6.223
  511   2HB   ASP  39          2HB       ASP  39  -5.190 -11.874  -4.909
  512    H    GLN  40           H        GLN  40  -5.009 -10.825  -2.561
  513    HA   GLN  40           HA       GLN  40  -7.393  -9.372  -2.323
  514   1HB   GLN  40          1HB       GLN  40  -6.929 -11.404  -1.039
  515   2HB   GLN  40          2HB       GLN  40  -5.661 -10.570  -0.153
  516   1HG   GLN  40          1HG       GLN  40  -7.580 -10.680   1.239
  517   2HG   GLN  40          2HG       GLN  40  -7.381  -9.008   0.722
  518   1HE2  GLN  40          1HE2      GLN  40  -8.493 -10.792  -1.857
  519   2HE2  GLN  40          2HE2      GLN  40 -10.181 -10.470  -1.699
  520    H    GLN  41           H        GLN  41  -4.269  -8.819  -0.688
  521    HA   GLN  41           HA       GLN  41  -5.106  -6.312   0.401
  522   1HB   GLN  41          1HB       GLN  41  -2.775  -6.091   1.138
  523   2HB   GLN  41          2HB       GLN  41  -3.438  -7.668   1.545
  524   1HG   GLN  41          1HG       GLN  41  -2.274  -8.669  -0.332
  525   2HG   GLN  41          2HG       GLN  41  -1.650  -7.090  -0.806
  526   1HE2  GLN  41          1HE2      GLN  41  -0.858  -9.872   0.685
  527   2HE2  GLN  41          2HE2      GLN  41   0.406  -9.313   1.722
  528    H    ARG  42           H        ARG  42  -4.599  -4.244  -0.229
  529    HA   ARG  42           HA       ARG  42  -3.093  -3.900  -2.722
  530   1HB   ARG  42          1HB       ARG  42  -5.455  -3.939  -3.358
  531   2HB   ARG  42          2HB       ARG  42  -5.811  -2.694  -2.168
  532   1HG   ARG  42          1HG       ARG  42  -4.412  -1.114  -3.394
  533   2HG   ARG  42          2HG       ARG  42  -4.038  -2.364  -4.582
  534   1HD   ARG  42          1HD       ARG  42  -6.779  -1.263  -3.974
  535   2HD   ARG  42          2HD       ARG  42  -5.795  -0.859  -5.379
  536    HE   ARG  42           HE       ARG  42  -7.488  -3.088  -5.120
  537   1HH1  ARG  42          1HH1      ARG  42  -4.323  -2.242  -6.313
  538   2HH1  ARG  42          2HH1      ARG  42  -4.290  -3.510  -7.492
  539   1HH2  ARG  42          1HH2      ARG  42  -7.449  -4.758  -6.668
  540   2HH2  ARG  42          2HH2      ARG  42  -6.066  -4.939  -7.694
  541    H    LEU  43           H        LEU  43  -1.547  -2.460  -2.427
  542    HA   LEU  43           HA       LEU  43  -1.641  -0.671  -0.141
  543   1HB   LEU  43          1HB       LEU  43   0.546  -1.197  -2.154
  544   2HB   LEU  43          2HB       LEU  43   0.704  -0.169  -0.742
  545    HG   LEU  43           HG       LEU  43   0.173  -3.142  -0.687
  546   1HD1  LEU  43          1HD1      LEU  43   2.385  -3.510  -0.385
  547   2HD1  LEU  43          2HD1      LEU  43   2.648  -1.962   0.417
  548   3HD1  LEU  43          3HD1      LEU  43   2.514  -2.033  -1.340
  549   1HD2  LEU  43          1HD2      LEU  43   0.131  -1.031   1.370
  550   2HD2  LEU  43          2HD2      LEU  43   1.003  -2.505   1.791
  551   3HD2  LEU  43          3HD2      LEU  43  -0.695  -2.588   1.321
  552    H    ILE  44           H        ILE  44  -1.525   1.550  -0.227
  553    HA   ILE  44           HA       ILE  44  -1.833   2.808  -2.868
  554    HB   ILE  44           HB       ILE  44  -3.458   3.459  -0.402
  555   1HG1  ILE  44          1HG1      ILE  44  -4.286   2.380  -3.109
  556   2HG1  ILE  44          2HG1      ILE  44  -4.234   1.459  -1.610
  557   1HG2  ILE  44          1HG2      ILE  44  -4.598   5.094  -1.910
  558   2HG2  ILE  44          2HG2      ILE  44  -3.318   4.814  -3.090
  559   3HG2  ILE  44          3HG2      ILE  44  -2.930   5.507  -1.515
  560   1HD1  ILE  44          1HD1      ILE  44  -6.302   2.074  -1.152
  561   2HD1  ILE  44          2HD1      ILE  44  -6.360   2.978  -2.666
  562   3HD1  ILE  44          3HD1      ILE  44  -5.825   3.772  -1.185
  563    H    PHE  45           H        PHE  45  -0.803   4.745  -3.132
  564    HA   PHE  45           HA       PHE  45   0.190   6.291  -0.942
  565   1HB   PHE  45          1HB       PHE  45   1.845   4.481  -0.904
  566   2HB   PHE  45          2HB       PHE  45   2.188   4.745  -2.610
  567    HD1  PHE  45           HD1      PHE  45   4.315   5.568  -2.824
  568    HD2  PHE  45           HD2      PHE  45   1.823   7.095   0.270
  569    HE1  PHE  45           HE1      PHE  45   6.061   7.194  -2.226
  570    HE2  PHE  45           HE2      PHE  45   3.565   8.726   0.873
  571    HZ   PHE  45           HZ       PHE  45   5.687   8.777  -0.377
  572    H    ALA  46           H        ALA  46   0.812   8.330  -1.565
  573    HA   ALA  46           HA       ALA  46   0.803  10.199  -2.864
  574   1HB   ALA  46          1HB       ALA  46   2.484   8.245  -4.200
  575   2HB   ALA  46          2HB       ALA  46   2.747   9.968  -3.932
  576   3HB   ALA  46          3HB       ALA  46   1.805   9.426  -5.320
  577    H    GLY  47           H        GLY  47  -1.610   8.761  -2.812
  578   1HA   GLY  47          1HA       GLY  47  -3.649   8.692  -3.853
  579   2HA   GLY  47          2HA       GLY  47  -3.042   9.987  -4.874
  580    H    LYS  48           H        LYS  48  -1.662   6.752  -4.672
  581    HA   LYS  48           HA       LYS  48  -2.928   5.915  -7.143
  582   1HB   LYS  48          1HB       LYS  48   0.051   6.398  -6.964
  583   2HB   LYS  48          2HB       LYS  48  -0.711   5.451  -8.233
  584   1HG   LYS  48          1HG       LYS  48  -1.951   7.398  -8.977
  585   2HG   LYS  48          2HG       LYS  48  -1.257   8.358  -7.668
  586   1HD   LYS  48          1HD       LYS  48   0.969   8.054  -8.597
  587   2HD   LYS  48          2HD       LYS  48   0.315   7.024  -9.872
  588   1HE   LYS  48          1HE       LYS  48  -0.342   9.936  -9.434
  589   2HE   LYS  48          2HE       LYS  48   0.727   9.295 -10.681
  590   1HZ   LYS  48          1HZ       LYS  48  -1.599   9.811 -11.406
  591   2HZ   LYS  48          2HZ       LYS  48  -2.123   8.518 -10.449
  592   3HZ   LYS  48          3HZ       LYS  48  -1.076   8.238 -11.747
  593    H    GLN  49           H        GLN  49  -3.232   3.777  -7.147
  594    HA   GLN  49           HA       GLN  49  -2.309   2.212  -4.932
  595   1HB   GLN  49          1HB       GLN  49  -3.858   1.400  -7.401
  596   2HB   GLN  49          2HB       GLN  49  -3.561   0.363  -6.015
  597   1HG   GLN  49          1HG       GLN  49  -5.710   1.138  -5.658
  598   2HG   GLN  49          2HG       GLN  49  -4.726   2.187  -4.643
  599   1HE2  GLN  49          1HE2      GLN  49  -4.361   2.873  -7.929
  600   2HE2  GLN  49          2HE2      GLN  49  -5.433   4.224  -8.018
  601    H    LEU  50           H        LEU  50  -0.573   0.935  -4.823
  602    HA   LEU  50           HA       LEU  50   1.355   0.929  -6.899
  603   1HB   LEU  50          1HB       LEU  50   1.133  -0.623  -4.329
  604   2HB   LEU  50          2HB       LEU  50   2.483  -0.816  -5.428
  605    HG   LEU  50           HG       LEU  50   3.041   1.576  -5.139
  606   1HD1  LEU  50          1HD1      LEU  50   0.850   2.453  -4.605
  607   2HD1  LEU  50          2HD1      LEU  50   1.992   2.839  -3.317
  608   3HD1  LEU  50          3HD1      LEU  50   0.824   1.535  -3.099
  609   1HD2  LEU  50          1HD2      LEU  50   4.403   0.503  -3.714
  610   2HD2  LEU  50          2HD2      LEU  50   3.091  -0.440  -3.008
  611   3HD2  LEU  50          3HD2      LEU  50   3.371   1.218  -2.475
  612    H    GLU  51           H        GLU  51   1.565  -0.347  -8.597
  613    HA   GLU  51           HA       GLU  51  -0.249  -2.566  -8.982
  614   1HB   GLU  51          1HB       GLU  51   1.911  -1.441 -10.776
  615   2HB   GLU  51          2HB       GLU  51   0.749  -2.676 -11.243
  616   1HG   GLU  51          1HG       GLU  51  -1.076  -1.089 -10.890
  617   2HG   GLU  51          2HG       GLU  51   0.093   0.148 -10.431
  618    H    ASP  52           H        ASP  52   0.274  -4.713  -9.085
  619    HA   ASP  52           HA       ASP  52   2.656  -5.539  -7.721
  620   1HB   ASP  52          1HB       ASP  52   0.483  -7.167  -9.056
  621   2HB   ASP  52          2HB       ASP  52   1.755  -7.825  -8.032
  622    H    GLY  53           H        GLY  53   3.582  -4.243  -9.903
  623   1HA   GLY  53          1HA       GLY  53   5.246  -6.159 -11.129
  624   2HA   GLY  53          2HA       GLY  53   3.958  -5.726 -12.242
  625    H    ARG  54           H        ARG  54   5.611  -3.655  -9.894
  626    HA   ARG  54           HA       ARG  54   7.025  -2.275 -12.033
  627   1HB   ARG  54          1HB       ARG  54   5.041  -0.917 -10.203
  628   2HB   ARG  54          2HB       ARG  54   6.184  -0.069 -11.229
  629   1HG   ARG  54          1HG       ARG  54   4.028  -1.927 -12.209
  630   2HG   ARG  54          2HG       ARG  54   3.925  -0.166 -12.190
  631   1HD   ARG  54          1HD       ARG  54   5.975  -1.786 -13.698
  632   2HD   ARG  54          2HD       ARG  54   4.539  -1.047 -14.404
  633    HE   ARG  54           HE       ARG  54   5.988   0.953 -13.105
  634   1HH1  ARG  54          1HH1      ARG  54   6.325  -1.198 -15.825
  635   2HH1  ARG  54          2HH1      ARG  54   7.336  -0.115 -16.722
  636   1HH2  ARG  54          1HH2      ARG  54   7.317   2.388 -14.281
  637   2HH2  ARG  54          2HH2      ARG  54   7.900   1.922 -15.845
  638    H    THR  55           H        THR  55   8.941  -1.456 -11.391
  639    HA   THR  55           HA       THR  55   9.986  -2.192  -8.860
  640    HB   THR  55           HB       THR  55  12.023  -1.006  -9.543
  641    HG1  THR  55           HG1      THR  55  11.585   0.712 -10.731
  642   1HG2  THR  55          1HG2      THR  55  11.527  -2.199 -12.117
  643   2HG2  THR  55          2HG2      THR  55  10.840  -3.195 -10.834
  644   3HG2  THR  55          3HG2      THR  55  12.551  -2.770 -10.800
  645    H    LEU  56           H        LEU  56  10.511  -0.985  -7.082
  646    HA   LEU  56           HA       LEU  56   8.867   1.175  -6.387
  647   1HB   LEU  56          1HB       LEU  56  11.476   0.290  -5.154
  648   2HB   LEU  56          2HB       LEU  56  10.344   1.405  -4.416
  649    HG   LEU  56           HG       LEU  56   9.770  -1.490  -5.055
  650   1HD1  LEU  56          1HD1      LEU  56   9.938  -1.912  -2.721
  651   2HD1  LEU  56          2HD1      LEU  56  10.133  -0.197  -2.361
  652   3HD1  LEU  56          3HD1      LEU  56  11.410  -1.071  -3.207
  653   1HD2  LEU  56          1HD2      LEU  56   8.089   0.774  -4.268
  654   2HD2  LEU  56          2HD2      LEU  56   7.900  -0.658  -3.256
  655   3HD2  LEU  56          3HD2      LEU  56   7.648  -0.770  -4.998
  656    H    SER  57           H        SER  57  12.075   1.072  -7.786
  657    HA   SER  57           HA       SER  57  13.022   3.599  -7.248
  658   1HB   SER  57          1HB       SER  57  13.321   2.061  -9.839
  659   2HB   SER  57          2HB       SER  57  14.343   3.400  -9.319
  660    HG   SER  57           HG       SER  57  14.006   1.088  -7.734
  661    H    ASP  58           H        ASP  58  10.876   2.647  -9.931
  662    HA   ASP  58           HA       ASP  58  10.730   5.155 -11.162
  663   1HB   ASP  58          1HB       ASP  58   8.656   2.956 -11.033
  664   2HB   ASP  58          2HB       ASP  58   8.571   4.344 -12.112
  665    H    TYR  59           H        TYR  59   8.807   3.743  -8.558
  666    HA   TYR  59           HA       TYR  59   6.953   5.852  -8.308
  667   1HB   TYR  59          1HB       TYR  59   7.908   3.815  -6.287
  668   2HB   TYR  59          2HB       TYR  59   6.576   4.926  -6.004
  669    HD1  TYR  59           HD1      TYR  59   4.639   3.674  -5.929
  670    HD2  TYR  59           HD2      TYR  59   7.467   2.874  -9.005
  671    HE1  TYR  59           HE1      TYR  59   3.077   2.066  -6.939
  672    HE2  TYR  59           HE2      TYR  59   5.913   1.266 -10.025
  673    HH   TYR  59           HH       TYR  59   3.527   0.783 -10.065
  674    H    ASN  60           H        ASN  60  10.184   5.372  -7.075
  675    HA   ASN  60           HA       ASN  60  11.630   6.723  -5.953
  676   1HB   ASN  60          1HB       ASN  60  10.969   8.349  -7.734
  677   2HB   ASN  60          2HB       ASN  60   9.703   8.948  -6.670
  678   1HD2  ASN  60          1HD2      ASN  60  12.317   8.065  -4.810
  679   2HD2  ASN  60          2HD2      ASN  60  13.076   9.608  -4.666
  680    H    ILE  61           H        ILE  61   9.880   5.311  -4.436
  681    HA   ILE  61           HA       ILE  61   8.394   6.832  -2.574
  682    HB   ILE  61           HB       ILE  61   9.576   4.074  -2.225
  683   1HG1  ILE  61          1HG1      ILE  61   6.834   4.922  -3.188
  684   2HG1  ILE  61          2HG1      ILE  61   8.115   4.285  -4.211
  685   1HG2  ILE  61          1HG2      ILE  61   8.475   5.666  -0.296
  686   2HG2  ILE  61          2HG2      ILE  61   8.517   3.903  -0.258
  687   3HG2  ILE  61          3HG2      ILE  61   7.081   4.739  -0.851
  688   1HD1  ILE  61          1HD1      ILE  61   8.033   2.219  -2.717
  689   2HD1  ILE  61          2HD1      ILE  61   6.698   2.478  -3.839
  690   3HD1  ILE  61          3HD1      ILE  61   6.500   2.865  -2.130
  691    H    GLN  62           H        GLN  62   8.940   7.833  -0.738
  692    HA   GLN  62           HA       GLN  62  11.648   8.397  -0.153
  693   1HB   GLN  62          1HB       GLN  62   9.159   8.837   1.506
  694   2HB   GLN  62          2HB       GLN  62  10.741   9.505   1.881
  695   1HG   GLN  62          1HG       GLN  62   9.206  10.066  -0.644
  696   2HG   GLN  62          2HG       GLN  62   9.208  11.101   0.781
  697   1HE2  GLN  62          1HE2      GLN  62  12.205   9.917   0.800
  698   2HE2  GLN  62          2HE2      GLN  62  13.022  11.094  -0.162
  699    H    LYS  63           H        LYS  63  12.871   7.848   1.724
  700    HA   LYS  63           HA       LYS  63  12.803   5.124   2.384
  701   1HB   LYS  63          1HB       LYS  63  14.842   6.519   2.429
  702   2HB   LYS  63          2HB       LYS  63  14.204   7.386   3.821
  703   1HG   LYS  63          1HG       LYS  63  14.221   5.326   5.116
  704   2HG   LYS  63          2HG       LYS  63  14.856   4.454   3.721
  705   1HD   LYS  63          1HD       LYS  63  16.846   5.908   3.750
  706   2HD   LYS  63          2HD       LYS  63  16.214   6.718   5.185
  707   1HE   LYS  63          1HE       LYS  63  16.946   3.800   4.956
  708   2HE   LYS  63          2HE       LYS  63  17.872   5.043   5.797
  709   1HZ   LYS  63          1HZ       LYS  63  15.071   4.439   6.526
  710   2HZ   LYS  63          2HZ       LYS  63  16.249   5.235   7.442
  711   3HZ   LYS  63          3HZ       LYS  63  16.364   3.567   7.182
  712    H    GLU  64           H        GLU  64  11.870   4.021   3.998
  713    HA   GLU  64           HA       GLU  64  10.525   3.509   5.754
  714   1HB   GLU  64          1HB       GLU  64  11.470   6.189   6.783
  715   2HB   GLU  64          2HB       GLU  64  10.619   4.984   7.739
  716   1HG   GLU  64          1HG       GLU  64  12.459   3.412   7.391
  717   2HG   GLU  64          2HG       GLU  64  13.313   4.630   6.444
  718    H    SER  65           H        SER  65   9.239   4.586   3.531
  719    HA   SER  65           HA       SER  65   7.325   6.554   4.447
  720   1HB   SER  65          1HB       SER  65   7.597   5.048   1.842
  721   2HB   SER  65          2HB       SER  65   6.302   6.199   2.168
  722    HG   SER  65           HG       SER  65   8.285   7.591   2.775
  723    H    THR  66           H        THR  66   5.092   6.238   4.626
  724    HA   THR  66           HA       THR  66   4.357   3.558   5.511
  725    HB   THR  66           HB       THR  66   2.854   6.174   5.739
  726    HG1  THR  66           HG1      THR  66   4.929   5.311   7.084
  727   1HG2  THR  66          1HG2      THR  66   1.074   4.925   6.241
  728   2HG2  THR  66          2HG2      THR  66   1.952   4.348   7.657
  729   3HG2  THR  66          3HG2      THR  66   2.023   3.441   6.146
  730    H    LEU  67           H        LEU  67   2.969   2.253   4.450
  731    HA   LEU  67           HA       LEU  67   1.702   3.309   2.008
  732   1HB   LEU  67          1HB       LEU  67   2.557   0.485   2.658
  733   2HB   LEU  67          2HB       LEU  67   1.739   0.974   1.187
  734    HG   LEU  67           HG       LEU  67   4.474   1.931   2.038
  735   1HD1  LEU  67          1HD1      LEU  67   4.885   0.533  -0.218
  736   2HD1  LEU  67          2HD1      LEU  67   3.551  -0.391   0.474
  737   3HD1  LEU  67          3HD1      LEU  67   5.035  -0.158   1.398
  738   1HD2  LEU  67          1HD2      LEU  67   3.934   2.236  -0.737
  739   2HD2  LEU  67          2HD2      LEU  67   4.280   3.481   0.463
  740   3HD2  LEU  67          3HD2      LEU  67   2.616   2.974   0.173
  741    H    HIS  68           H        HIS  68  -0.473   3.264   1.866
  742    HA   HIS  68           HA       HIS  68  -1.986   2.355   4.130
  743   1HB   HIS  68          1HB       HIS  68  -2.846   3.562   1.499
  744   2HB   HIS  68          2HB       HIS  68  -3.959   3.153   2.799
  745    HD1  HIS  68           HD1      HIS  68  -4.384   5.859   2.518
  746    HD2  HIS  68           HD2      HIS  68  -0.835   4.659   4.309
  747    HE1  HIS  68           HE1      HIS  68  -3.550   7.870   3.774
  748    HE2  HIS  68           HE2      HIS  68  -1.454   7.089   4.930
  749    H    LEU  69           H        LEU  69  -2.992   0.505   4.421
  750    HA   LEU  69           HA       LEU  69  -2.905  -1.522   2.326
  751   1HB   LEU  69          1HB       LEU  69  -2.173  -1.851   4.763
  752   2HB   LEU  69          2HB       LEU  69  -3.873  -1.844   5.160
  753    HG   LEU  69           HG       LEU  69  -3.036  -4.113   5.059
  754   1HD1  LEU  69          1HD1      LEU  69  -4.783  -5.049   3.939
  755   2HD1  LEU  69          2HD1      LEU  69  -4.641  -3.952   2.566
  756   3HD1  LEU  69          3HD1      LEU  69  -5.354  -3.386   4.077
  757   1HD2  LEU  69          1HD2      LEU  69  -1.247  -4.263   3.684
  758   2HD2  LEU  69          2HD2      LEU  69  -1.945  -3.195   2.465
  759   3HD2  LEU  69          3HD2      LEU  69  -2.484  -4.871   2.583
  760    H    VAL  70           H        VAL  70  -4.695  -2.336   1.307
  761    HA   VAL  70           HA       VAL  70  -7.350  -1.687   2.334
  762    HB   VAL  70           HB       VAL  70  -6.562  -1.055  -0.519
  763   1HG1  VAL  70          1HG1      VAL  70  -8.841  -1.816  -0.397
  764   2HG1  VAL  70          2HG1      VAL  70  -8.842  -0.066  -0.633
  765   3HG1  VAL  70          3HG1      VAL  70  -9.170  -0.743   0.963
  766   1HG2  VAL  70          1HG2      VAL  70  -6.813   0.637   1.916
  767   2HG2  VAL  70          2HG2      VAL  70  -7.339   1.303   0.369
  768   3HG2  VAL  70          3HG2      VAL  70  -5.676   0.751   0.572
  769    H    LEU  71           H        LEU  71  -8.265  -3.618   2.507
  770    HA   LEU  71           HA       LEU  71  -7.519  -5.783   0.729
  771   1HB   LEU  71          1HB       LEU  71  -9.434  -5.700   3.062
  772   2HB   LEU  71          2HB       LEU  71  -8.985  -7.149   2.183
  773    HG   LEU  71           HG       LEU  71  -7.068  -5.426   3.760
  774   1HD1  LEU  71          1HD1      LEU  71  -7.123  -7.055   5.462
  775   2HD1  LEU  71          2HD1      LEU  71  -8.054  -8.176   4.467
  776   3HD1  LEU  71          3HD1      LEU  71  -8.810  -6.705   5.081
  777   1HD2  LEU  71          1HD2      LEU  71  -5.380  -6.786   3.107
  778   2HD2  LEU  71          2HD2      LEU  71  -6.406  -6.991   1.689
  779   3HD2  LEU  71          3HD2      LEU  71  -6.423  -8.201   2.971
  780    H    ARG  72           H        ARG  72  -8.587  -6.335  -1.039
  781    HA   ARG  72           HA       ARG  72 -10.811  -4.910  -1.996
  782   1HB   ARG  72          1HB       ARG  72  -9.219  -6.073  -3.465
  783   2HB   ARG  72          2HB       ARG  72  -9.791  -7.622  -2.861
  784   1HG   ARG  72          1HG       ARG  72 -12.002  -7.175  -3.792
  785   2HG   ARG  72          2HG       ARG  72 -11.437  -5.613  -4.387
  786   1HD   ARG  72          1HD       ARG  72  -9.777  -6.758  -5.783
  787   2HD   ARG  72          2HD       ARG  72 -10.365  -8.314  -5.196
  788    HE   ARG  72           HE       ARG  72 -12.534  -6.925  -6.266
  789   1HH1  ARG  72          1HH1      ARG  72  -9.540  -8.354  -7.341
  790   2HH1  ARG  72          2HH1      ARG  72 -10.134  -8.713  -8.928
  791   1HH2  ARG  72          1HH2      ARG  72 -13.320  -7.391  -8.353
  792   2HH2  ARG  72          2HH2      ARG  72 -12.280  -8.158  -9.506
  793    H    LEU  73           H        LEU  73 -12.946  -5.183  -1.799
  794    HA   LEU  73           HA       LEU  73 -13.981  -6.920   0.190
  795   1HB   LEU  73          1HB       LEU  73 -14.957  -4.724  -0.361
  796   2HB   LEU  73          2HB       LEU  73 -15.445  -5.343  -1.926
  797    HG   LEU  73           HG       LEU  73 -16.926  -6.974  -0.796
  798   1HD1  LEU  73          1HD1      LEU  73 -16.521  -7.445   1.338
  799   2HD1  LEU  73          2HD1      LEU  73 -17.241  -5.886   1.739
  800   3HD1  LEU  73          3HD1      LEU  73 -15.495  -6.023   1.528
  801   1HD2  LEU  73          1HD2      LEU  73 -17.945  -4.564   0.430
  802   2HD2  LEU  73          2HD2      LEU  73 -18.555  -5.469  -0.955
  803   3HD2  LEU  73          3HD2      LEU  73 -17.303  -4.249  -1.182
  804    H    ARG  74           H        ARG  74 -15.033  -8.836   0.051
  805    HA   ARG  74           HA       ARG  74 -14.543 -10.542  -2.119
  806   1HB   ARG  74          1HB       ARG  74 -16.568 -10.783   0.112
  807   2HB   ARG  74          2HB       ARG  74 -16.153 -12.081  -0.999
  808   1HG   ARG  74          1HG       ARG  74 -14.202 -10.726   0.851
  809   2HG   ARG  74          2HG       ARG  74 -15.022 -12.252   1.188
  810   1HD   ARG  74          1HD       ARG  74 -13.189 -11.723  -1.149
  811   2HD   ARG  74          2HD       ARG  74 -12.747 -12.590   0.321
  812    HE   ARG  74           HE       ARG  74 -14.996 -13.833  -0.772
  813   1HH1  ARG  74          1HH1      ARG  74 -11.642 -13.300  -1.563
  814   2HH1  ARG  74          2HH1      ARG  74 -11.493 -14.764  -2.476
  815   1HH2  ARG  74          1HH2      ARG  74 -14.807 -15.759  -1.979
  816   2HH2  ARG  74          2HH2      ARG  74 -13.290 -16.161  -2.713
  817    H    GLY  75           H        GLY  75 -15.737 -11.194  -3.843
  818   1HA   GLY  75          1HA       GLY  75 -17.576  -9.436  -4.994
  819   2HA   GLY  75          2HA       GLY  75 -17.317 -11.098  -5.501
  820    H    GLY  76           H        GLY  76 -18.129 -12.384  -3.113
  821   1HA   GLY  76          1HA       GLY  76 -20.866 -12.669  -3.549
  822   2HA   GLY  76          2HA       GLY  76 -20.022 -13.193  -2.100
  Start of MODEL    2
    1   1H    TYR 255          1H        TYR 255  23.790  -5.309  -2.324
    2   2H    TYR 255          2H        TYR 255  25.223  -4.600  -2.875
    3   3H    TYR 255          3H        TYR 255  23.926  -4.818  -3.938
    4    HA   TYR 255           HA       TYR 255  23.294  -3.283  -1.581
    5   1HB   TYR 255          1HB       TYR 255  25.659  -2.621  -2.122
    6   2HB   TYR 255          2HB       TYR 255  25.101  -2.112  -3.712
    7    HD1  TYR 255           HD1      TYR 255  23.663  -1.618  -0.296
    8    HD2  TYR 255           HD2      TYR 255  25.228   0.198  -3.812
    9    HE1  TYR 255           HE1      TYR 255  23.126   0.601   0.618
   10    HE2  TYR 255           HE2      TYR 255  24.695   2.421  -2.907
   11    HH   TYR 255           HH       TYR 255  23.770   3.560  -1.239
   12    HA   PRO 256           HA       PRO 256  20.607  -3.069  -5.454
   13   1HB   PRO 256          1HB       PRO 256  18.508  -4.535  -4.638
   14   2HB   PRO 256          2HB       PRO 256  19.941  -5.276  -5.361
   15   1HG   PRO 256          1HG       PRO 256  19.176  -5.049  -2.477
   16   2HG   PRO 256          2HG       PRO 256  19.861  -6.434  -3.348
   17   1HD   PRO 256          1HD       PRO 256  21.339  -4.740  -1.790
   18   2HD   PRO 256          2HD       PRO 256  22.005  -5.641  -3.165
   19    H    GLU 257           H        GLU 257  20.950  -1.242  -3.226
   20    HA   GLU 257           HA       GLU 257  19.926   0.560  -2.303
   21   1HB   GLU 257          1HB       GLU 257  17.650  -0.192  -4.144
   22   2HB   GLU 257          2HB       GLU 257  17.805   1.335  -3.287
   23   1HG   GLU 257          1HG       GLU 257  19.743   0.309  -5.348
   24   2HG   GLU 257          2HG       GLU 257  18.458   1.476  -5.654
   25    H    ASP 258           H        ASP 258  18.908   0.928  -0.424
   26    HA   ASP 258           HA       ASP 258  17.791  -1.214   1.028
   27   1HB   ASP 258          1HB       ASP 258  17.254   0.492   2.736
   28   2HB   ASP 258          2HB       ASP 258  18.911   0.628   2.155
   29    H    GLU 259           H        GLU 259  16.382   1.324  -0.914
   30    HA   GLU 259           HA       GLU 259  13.735   1.234  -0.050
   31   1HB   GLU 259          1HB       GLU 259  14.543   2.953  -1.562
   32   2HB   GLU 259          2HB       GLU 259  14.861   1.754  -2.808
   33   1HG   GLU 259          1HG       GLU 259  12.432   1.258  -2.869
   34   2HG   GLU 259          2HG       GLU 259  12.178   2.589  -1.742
   35    H    GLU 260           H        GLU 260  15.312  -0.613  -2.657
   36    HA   GLU 260           HA       GLU 260  13.084  -2.056  -3.501
   37   1HB   GLU 260          1HB       GLU 260  15.204  -1.994  -4.740
   38   2HB   GLU 260          2HB       GLU 260  15.980  -2.933  -3.472
   39   1HG   GLU 260          1HG       GLU 260  14.508  -4.814  -3.953
   40   2HG   GLU 260          2HG       GLU 260  13.707  -3.872  -5.209
   41    H    GLU 261           H        GLU 261  15.405  -2.756  -0.925
   42    HA   GLU 261           HA       GLU 261  14.545  -5.333  -0.275
   43   1HB   GLU 261          1HB       GLU 261  16.598  -4.349   0.625
   44   2HB   GLU 261          2HB       GLU 261  15.654  -3.185   1.544
   45   1HG   GLU 261          1HG       GLU 261  14.670  -5.012   2.840
   46   2HG   GLU 261          2HG       GLU 261  15.635  -6.171   1.927
   47    H    LEU 262           H        LEU 262  13.377  -2.177   0.765
   48    HA   LEU 262           HA       LEU 262  11.542  -3.071   2.712
   49   1HB   LEU 262          1HB       LEU 262  12.482  -0.707   2.195
   50   2HB   LEU 262          2HB       LEU 262  11.158  -0.598   1.054
   51    HG   LEU 262           HG       LEU 262  10.810  -1.096   4.011
   52   1HD1  LEU 262          1HD1      LEU 262  11.385   1.316   2.553
   53   2HD1  LEU 262          2HD1      LEU 262  11.214   1.068   4.291
   54   3HD1  LEU 262          3HD1      LEU 262   9.791   1.407   3.305
   55   1HD2  LEU 262          1HD2      LEU 262   8.948  -1.945   2.752
   56   2HD2  LEU 262          2HD2      LEU 262   8.858  -0.461   1.804
   57   3HD2  LEU 262          3HD2      LEU 262   8.466  -0.434   3.523
   58    H    ILE 263           H        ILE 263  11.063  -2.107  -0.683
   59    HA   ILE 263           HA       ILE 263   8.331  -2.637  -0.855
   60    HB   ILE 263           HB       ILE 263  10.534  -2.465  -2.859
   61   1HG1  ILE 263          1HG1      ILE 263   7.937  -0.969  -2.497
   62   2HG1  ILE 263          2HG1      ILE 263   9.524  -0.427  -1.966
   63   1HG2  ILE 263          1HG2      ILE 263   7.714  -3.295  -3.540
   64   2HG2  ILE 263          2HG2      ILE 263   9.157  -4.298  -3.696
   65   3HG2  ILE 263          3HG2      ILE 263   8.969  -2.860  -4.701
   66   1HD1  ILE 263          1HD1      ILE 263  10.005   0.400  -3.966
   67   2HD1  ILE 263          2HD1      ILE 263   8.303   0.162  -4.362
   68   3HD1  ILE 263          3HD1      ILE 263   9.488  -1.074  -4.786
   69    H    ARG 264           H        ARG 264  11.048  -4.762  -1.827
   70    HA   ARG 264           HA       ARG 264   9.428  -6.940  -2.528
   71   1HB   ARG 264          1HB       ARG 264  11.428  -8.299  -2.457
   72   2HB   ARG 264          2HB       ARG 264  11.767  -6.758  -3.229
   73   1HG   ARG 264          1HG       ARG 264  12.813  -5.945  -1.197
   74   2HG   ARG 264          2HG       ARG 264  12.446  -7.469  -0.385
   75   1HD   ARG 264          1HD       ARG 264  13.829  -8.660  -2.025
   76   2HD   ARG 264          2HD       ARG 264  14.208  -7.128  -2.810
   77    HE   ARG 264           HE       ARG 264  14.905  -6.944  -0.103
   78   1HH1  ARG 264          1HH1      ARG 264  15.891  -8.611  -3.001
   79   2HH1  ARG 264          2HH1      ARG 264  17.542  -8.765  -2.503
   80   1HH2  ARG 264          1HH2      ARG 264  17.076  -7.142   0.559
   81   2HH2  ARG 264          2HH2      ARG 264  18.216  -7.931  -0.480
   82    H    LYS 265           H        LYS 265  10.820  -5.975   0.567
   83    HA   LYS 265           HA       LYS 265  10.356  -8.308   2.021
   84   1HB   LYS 265          1HB       LYS 265  11.570  -6.454   3.012
   85   2HB   LYS 265          2HB       LYS 265  10.155  -5.416   2.890
   86   1HG   LYS 265          1HG       LYS 265  10.539  -6.203   5.176
   87   2HG   LYS 265          2HG       LYS 265   8.989  -6.749   4.537
   88   1HD   LYS 265          1HD       LYS 265  10.059  -8.559   5.733
   89   2HD   LYS 265          2HD       LYS 265  10.013  -8.936   4.010
   90   1HE   LYS 265          1HE       LYS 265  12.172  -9.524   4.963
   91   2HE   LYS 265          2HE       LYS 265  12.343  -8.216   3.794
   92   1HZ   LYS 265          1HZ       LYS 265  12.892  -6.728   5.397
   93   2HZ   LYS 265          2HZ       LYS 265  13.472  -8.124   6.156
   94   3HZ   LYS 265          3HZ       LYS 265  11.970  -7.483   6.598
   95    H    ALA 266           H        ALA 266   8.255  -5.555   1.332
   96    HA   ALA 266           HA       ALA 266   5.964  -6.555   2.666
   97   1HB   ALA 266          1HB       ALA 266   5.186  -4.532   2.167
   98   2HB   ALA 266          2HB       ALA 266   5.245  -4.897   0.443
   99   3HB   ALA 266          3HB       ALA 266   6.660  -4.224   1.250
  100    H    ILE 267           H        ILE 267   7.319  -6.995  -0.527
  101    HA   ILE 267           HA       ILE 267   5.119  -8.076  -1.858
  102    HB   ILE 267           HB       ILE 267   8.057  -8.626  -2.236
  103   1HG1  ILE 267          1HG1      ILE 267   7.352  -6.299  -2.630
  104   2HG1  ILE 267          2HG1      ILE 267   7.859  -7.083  -4.122
  105   1HG2  ILE 267          1HG2      ILE 267   7.446  -9.505  -4.456
  106   2HG2  ILE 267          2HG2      ILE 267   5.744  -9.395  -4.009
  107   3HG2  ILE 267          3HG2      ILE 267   6.815 -10.492  -3.138
  108   1HD1  ILE 267          1HD1      ILE 267   5.342  -5.864  -3.447
  109   2HD1  ILE 267          2HD1      ILE 267   5.120  -7.530  -3.980
  110   3HD1  ILE 267          3HD1      ILE 267   5.962  -6.377  -5.016
  111    H    GLU 268           H        GLU 268   7.770  -9.792  -0.206
  112    HA   GLU 268           HA       GLU 268   6.679 -12.366  -0.543
  113   1HB   GLU 268          1HB       GLU 268   9.043 -11.999  -0.064
  114   2HB   GLU 268          2HB       GLU 268   8.637 -11.359   1.522
  115   1HG   GLU 268          1HG       GLU 268   7.749 -13.527   2.183
  116   2HG   GLU 268          2HG       GLU 268   8.124 -14.173   0.587
  117    H    LEU 269           H        LEU 269   6.626 -10.165   2.259
  118    HA   LEU 269           HA       LEU 269   5.245 -11.822   4.017
  119   1HB   LEU 269          1HB       LEU 269   5.106  -8.815   3.796
  120   2HB   LEU 269          2HB       LEU 269   4.574  -9.753   5.178
  121    HG   LEU 269           HG       LEU 269   7.417  -9.561   4.175
  122   1HD1  LEU 269          1HD1      LEU 269   6.201  -8.468   6.704
  123   2HD1  LEU 269          2HD1      LEU 269   6.520  -7.511   5.258
  124   3HD1  LEU 269          3HD1      LEU 269   7.856  -8.256   6.135
  125   1HD2  LEU 269          1HD2      LEU 269   6.197 -11.581   5.688
  126   2HD2  LEU 269          2HD2      LEU 269   7.107 -10.597   6.835
  127   3HD2  LEU 269          3HD2      LEU 269   7.923 -11.311   5.444
  128    H    SER 270           H        SER 270   4.019  -9.638   1.533
  129    HA   SER 270           HA       SER 270   1.281  -9.888   2.209
  130   1HB   SER 270          1HB       SER 270   2.145  -8.045   0.821
  131   2HB   SER 270          2HB       SER 270   2.534  -9.194  -0.459
  132    HG   SER 270           HG       SER 270   0.170  -8.026   0.136
  133    H    LEU 271           H        LEU 271   3.335 -11.572  -0.146
  134    HA   LEU 271           HA       LEU 271   1.355 -13.143  -1.335
  135   1HB   LEU 271          1HB       LEU 271   4.279 -13.741  -0.892
  136   2HB   LEU 271          2HB       LEU 271   3.225 -14.683  -1.929
  137    HG   LEU 271           HG       LEU 271   3.885 -11.764  -2.337
  138   1HD1  LEU 271          1HD1      LEU 271   4.872 -13.162  -4.475
  139   2HD1  LEU 271          2HD1      LEU 271   5.245 -14.223  -3.117
  140   3HD1  LEU 271          3HD1      LEU 271   5.821 -12.557  -3.118
  141   1HD2  LEU 271          1HD2      LEU 271   1.644 -12.643  -3.158
  142   2HD2  LEU 271          2HD2      LEU 271   2.570 -13.645  -4.276
  143   3HD2  LEU 271          3HD2      LEU 271   2.691 -11.887  -4.359
  144    H    LYS 272           H        LYS 272   3.334 -13.749   1.540
  145    HA   LYS 272           HA       LYS 272   2.585 -16.390   2.012
  146   1HB   LYS 272          1HB       LYS 272   3.247 -14.238   4.029
  147   2HB   LYS 272          2HB       LYS 272   3.199 -15.962   4.368
  148   1HG   LYS 272          1HG       LYS 272   5.080 -14.574   2.469
  149   2HG   LYS 272          2HG       LYS 272   5.480 -15.209   4.066
  150   1HD   LYS 272          1HD       LYS 272   4.866 -17.473   3.276
  151   2HD   LYS 272          2HD       LYS 272   4.581 -16.806   1.668
  152   1HE   LYS 272          1HE       LYS 272   6.780 -17.800   1.752
  153   2HE   LYS 272          2HE       LYS 272   6.928 -16.050   1.598
  154   1HZ   LYS 272          1HZ       LYS 272   7.328 -15.923   3.988
  155   2HZ   LYS 272          2HZ       LYS 272   8.479 -16.900   3.226
  156   3HZ   LYS 272          3HZ       LYS 272   7.222 -17.607   4.110
  157    H    GLU 273           H        GLU 273   1.040 -13.376   3.062
  158    HA   GLU 273           HA       GLU 273  -0.955 -14.515   4.665
  159   1HB   GLU 273          1HB       GLU 273  -0.421 -12.110   4.645
  160   2HB   GLU 273          2HB       GLU 273  -1.081 -11.979   3.021
  161   1HG   GLU 273          1HG       GLU 273  -2.669 -11.162   4.642
  162   2HG   GLU 273          2HG       GLU 273  -3.284 -12.622   3.870
  163    H    SER 274           H        SER 274  -0.985 -13.633   1.227
  164    HA   SER 274           HA       SER 274  -3.619 -14.747   0.838
  165   1HB   SER 274          1HB       SER 274  -3.258 -14.142  -1.541
  166   2HB   SER 274          2HB       SER 274  -2.967 -12.785  -0.453
  167    HG   SER 274           HG       SER 274  -0.851 -12.899  -0.846
  168    H    ARG 275           H        ARG 275  -2.081 -16.718   1.881
  169    HA   ARG 275           HA       ARG 275  -0.645 -18.345   0.152
  170   1HB   ARG 275          1HB       ARG 275  -0.730 -18.695   2.579
  171   2HB   ARG 275          2HB       ARG 275  -2.418 -19.172   2.460
  172   1HG   ARG 275          1HG       ARG 275  -1.787 -21.116   1.131
  173   2HG   ARG 275          2HG       ARG 275  -0.092 -20.631   1.220
  174   1HD   ARG 275          1HD       ARG 275  -0.595 -22.374   2.851
  175   2HD   ARG 275          2HD       ARG 275  -0.147 -20.868   3.649
  176    HE   ARG 275           HE       ARG 275  -2.935 -20.953   3.396
  177   1HH1  ARG 275          1HH1      ARG 275  -0.367 -22.564   5.115
  178   2HH1  ARG 275          2HH1      ARG 275  -1.361 -22.979   6.471
  179   1HH2  ARG 275          1HH2      ARG 275  -4.250 -21.496   5.178
  180   2HH2  ARG 275          2HH2      ARG 275  -3.568 -22.374   6.506
  181    H    ASN 276           H        ASN 276  -1.161 -19.629  -1.491
  182    HA   ASN 276           HA       ASN 276  -2.364 -20.640  -3.129
  183   1HB   ASN 276          1HB       ASN 276  -2.914 -22.122  -1.174
  184   2HB   ASN 276          2HB       ASN 276  -4.385 -21.185  -0.943
  185   1HD2  ASN 276          1HD2      ASN 276  -3.770 -21.266  -4.193
  186   2HD2  ASN 276          2HD2      ASN 276  -4.747 -22.622  -4.626
  187    H    SER 277           H        SER 277  -5.531 -20.566  -2.407
  188    HA   SER 277           HA       SER 277  -6.107 -18.505  -4.276
  189   1HB   SER 277          1HB       SER 277  -7.942 -19.990  -2.376
  190   2HB   SER 277          2HB       SER 277  -8.472 -18.981  -3.722
  191    HG   SER 277           HG       SER 277  -8.417 -21.159  -4.337
  192    H    ALA 278           H        ALA 278  -8.534 -17.710  -2.535
  193    HA   ALA 278           HA       ALA 278  -9.143 -15.907  -1.295
  194   1HB   ALA 278          1HB       ALA 278  -7.677 -17.416   0.324
  195   2HB   ALA 278          2HB       ALA 278  -8.326 -15.855   0.827
  196   3HB   ALA 278          3HB       ALA 278  -6.647 -15.984   0.305
  197   1H    MET   1          1H        MET   1 -16.055   1.758   1.656
  198   2H    MET   1          2H        MET   1 -16.028   0.135   1.180
  199   3H    MET   1          3H        MET   1 -14.592   1.028   1.219
  200    HA   MET   1           HA       MET   1 -16.192   0.676   3.658
  201   1HB   MET   1          1HB       MET   1 -14.936  -1.364   4.166
  202   2HB   MET   1          2HB       MET   1 -15.869  -1.554   2.692
  203   1HG   MET   1          1HG       MET   1 -12.931  -0.911   2.766
  204   2HG   MET   1          2HG       MET   1 -13.599  -2.532   2.589
  205   1HE   MET   1          1HE       MET   1 -11.527  -1.120   0.300
  206   2HE   MET   1          2HE       MET   1 -12.307  -2.058  -0.974
  207   3HE   MET   1          3HE       MET   1 -12.060  -2.771   0.621
  208    H    GLN   2           H        GLN   2 -13.444  -0.386   4.665
  209    HA   GLN   2           HA       GLN   2 -11.919   2.108   4.603
  210   1HB   GLN   2          1HB       GLN   2 -12.815   0.746   7.151
  211   2HB   GLN   2          2HB       GLN   2 -11.679   2.085   7.067
  212   1HG   GLN   2          1HG       GLN   2 -13.410   3.521   6.155
  213   2HG   GLN   2          2HG       GLN   2 -14.552   2.178   6.173
  214   1HE2  GLN   2          1HE2      GLN   2 -15.929   2.300   7.776
  215   2HE2  GLN   2          2HE2      GLN   2 -15.612   2.914   9.360
  216    H    ILE   3           H        ILE   3  -9.791   1.769   4.490
  217    HA   ILE   3           HA       ILE   3  -8.788  -0.941   5.067
  218    HB   ILE   3           HB       ILE   3  -7.055  -0.551   3.365
  219   1HG1  ILE   3          1HG1      ILE   3  -8.608   1.985   2.787
  220   2HG1  ILE   3          2HG1      ILE   3  -6.993   1.905   3.483
  221   1HG2  ILE   3          1HG2      ILE   3  -8.512  -1.684   2.129
  222   2HG2  ILE   3          2HG2      ILE   3  -9.087  -0.138   1.502
  223   3HG2  ILE   3          3HG2      ILE   3  -9.880  -0.875   2.895
  224   1HD1  ILE   3          1HD1      ILE   3  -6.728   0.468   1.163
  225   2HD1  ILE   3          2HD1      ILE   3  -6.269   2.154   1.399
  226   3HD1  ILE   3          3HD1      ILE   3  -7.844   1.757   0.711
  227    H    PHE   4           H        PHE   4  -6.765  -1.164   6.044
  228    HA   PHE   4           HA       PHE   4  -5.908   1.187   7.566
  229   1HB   PHE   4          1HB       PHE   4  -5.648  -1.763   7.961
  230   2HB   PHE   4          2HB       PHE   4  -4.460  -0.702   8.706
  231    HD1  PHE   4           HD1      PHE   4  -4.925   0.422  10.682
  232    HD2  PHE   4           HD2      PHE   4  -8.091  -1.423   8.518
  233    HE1  PHE   4           HE1      PHE   4  -6.430   0.793  12.587
  234    HE2  PHE   4           HE2      PHE   4  -9.609  -1.055  10.420
  235    HZ   PHE   4           HZ       PHE   4  -8.779   0.052  12.459
  236    H    VAL   5           H        VAL   5  -4.033   2.197   7.197
  237    HA   VAL   5           HA       VAL   5  -2.258   1.153   5.136
  238    HB   VAL   5           HB       VAL   5  -2.123   3.757   6.674
  239   1HG1  VAL   5          1HG1      VAL   5  -0.445   2.581   4.496
  240   2HG1  VAL   5          2HG1      VAL   5   0.052   3.424   5.963
  241   3HG1  VAL   5          3HG1      VAL   5  -0.639   4.330   4.617
  242   1HG2  VAL   5          1HG2      VAL   5  -4.049   3.894   5.346
  243   2HG2  VAL   5          2HG2      VAL   5  -3.295   3.031   4.005
  244   3HG2  VAL   5          3HG2      VAL   5  -2.798   4.680   4.384
  245    H    LYS   6           H        LYS   6  -0.496  -0.024   5.650
  246    HA   LYS   6           HA       LYS   6   0.729   0.390   8.285
  247   1HB   LYS   6          1HB       LYS   6  -0.738  -1.521   8.528
  248   2HB   LYS   6          2HB       LYS   6  -0.045  -2.277   7.101
  249   1HG   LYS   6          1HG       LYS   6   2.107  -2.469   8.251
  250   2HG   LYS   6          2HG       LYS   6   1.397  -1.728   9.687
  251   1HD   LYS   6          1HD       LYS   6  -0.205  -3.579   9.842
  252   2HD   LYS   6          2HD       LYS   6   0.517  -4.320   8.413
  253   1HE   LYS   6          1HE       LYS   6   1.350  -5.369  10.443
  254   2HE   LYS   6          2HE       LYS   6   2.647  -4.525   9.599
  255   1HZ   LYS   6          1HZ       LYS   6   3.049  -3.626  11.588
  256   2HZ   LYS   6          2HZ       LYS   6   1.530  -4.035  12.208
  257   3HZ   LYS   6          3HZ       LYS   6   1.714  -2.635  11.277
  258    H    THR   7           H        THR   7   2.891   0.190   8.403
  259    HA   THR   7           HA       THR   7   4.388   0.229   5.954
  260    HB   THR   7           HB       THR   7   6.372   0.448   7.391
  261    HG1  THR   7           HG1      THR   7   6.060   0.452   9.679
  262   1HG2  THR   7          1HG2      THR   7   5.945   2.617   7.780
  263   2HG2  THR   7          2HG2      THR   7   4.597   2.253   8.857
  264   3HG2  THR   7          3HG2      THR   7   4.349   2.280   7.111
  265    H    LEU   8           H        LEU   8   6.717  -1.223   7.098
  266    HA   LEU   8           HA       LEU   8   6.275  -3.740   5.949
  267   1HB   LEU   8          1HB       LEU   8   8.356  -2.818   7.931
  268   2HB   LEU   8          2HB       LEU   8   8.381  -4.398   7.171
  269    HG   LEU   8           HG       LEU   8   8.522  -1.779   5.676
  270   1HD1  LEU   8          1HD1      LEU   8  10.906  -2.961   5.274
  271   2HD1  LEU   8          2HD1      LEU   8  10.575  -3.485   6.925
  272   3HD1  LEU   8          3HD1      LEU   8  10.608  -1.765   6.536
  273   1HD2  LEU   8          1HD2      LEU   8   8.727  -4.660   4.831
  274   2HD2  LEU   8          2HD2      LEU   8   9.294  -3.320   3.834
  275   3HD2  LEU   8          3HD2      LEU   8   7.588  -3.440   4.265
  276    H    THR   9           H        THR   9   6.803  -3.024   9.396
  277    HA   THR   9           HA       THR   9   4.681  -4.837  10.177
  278    HB   THR   9           HB       THR   9   6.174  -6.115  11.733
  279    HG1  THR   9           HG1      THR   9   8.172  -4.763  10.229
  280   1HG2  THR   9          1HG2      THR   9   7.206  -6.622   8.981
  281   2HG2  THR   9          2HG2      THR   9   5.476  -6.785   9.283
  282   3HG2  THR   9          3HG2      THR   9   6.626  -7.763  10.194
  283    H    GLY  10           H        GLY  10   4.504  -2.224  10.588
  284   1HA   GLY  10          1HA       GLY  10   4.791  -2.006  13.475
  285   2HA   GLY  10          2HA       GLY  10   5.689  -0.831  12.532
  286    H    LYS  11           H        LYS  11   4.710   0.993  11.996
  287    HA   LYS  11           HA       LYS  11   2.364   1.852  13.086
  288   1HB   LYS  11          1HB       LYS  11   4.067   3.318  12.070
  289   2HB   LYS  11          2HB       LYS  11   3.527   2.818  10.473
  290   1HG   LYS  11          1HG       LYS  11   1.306   3.765  10.947
  291   2HG   LYS  11          2HG       LYS  11   1.893   4.306  12.520
  292   1HD   LYS  11          1HD       LYS  11   1.969   6.155  10.986
  293   2HD   LYS  11          2HD       LYS  11   3.621   5.655  11.353
  294   1HE   LYS  11          1HE       LYS  11   3.727   4.425   9.252
  295   2HE   LYS  11          2HE       LYS  11   2.060   4.873   8.892
  296   1HZ   LYS  11          1HZ       LYS  11   4.087   6.228   7.947
  297   2HZ   LYS  11          2HZ       LYS  11   3.964   7.026   9.433
  298   3HZ   LYS  11          3HZ       LYS  11   2.641   6.993   8.379
  299    H    THR  12           H        THR  12   0.278   1.850  12.657
  300    HA   THR  12           HA       THR  12  -0.781   1.050  10.073
  301    HB   THR  12           HB       THR  12  -1.535  -0.469  12.584
  302    HG1  THR  12           HG1      THR  12  -0.169  -1.969  11.938
  303   1HG2  THR  12          1HG2      THR  12  -3.324  -1.222  11.482
  304   2HG2  THR  12          2HG2      THR  12  -2.354  -1.626  10.066
  305   3HG2  THR  12          3HG2      THR  12  -3.002   0.003  10.255
  306    H    ILE  13           H        ILE  13  -2.656   2.157   9.645
  307    HA   ILE  13           HA       ILE  13  -4.251   3.192  11.858
  308    HB   ILE  13           HB       ILE  13  -2.837   4.973   9.887
  309   1HG1  ILE  13          1HG1      ILE  13  -2.977   4.927  12.908
  310   2HG1  ILE  13          2HG1      ILE  13  -1.604   4.432  11.922
  311   1HG2  ILE  13          1HG2      ILE  13  -5.221   5.594  11.616
  312   2HG2  ILE  13          2HG2      ILE  13  -5.075   5.763   9.866
  313   3HG2  ILE  13          3HG2      ILE  13  -4.166   6.833  10.935
  314   1HD1  ILE  13          1HD1      ILE  13  -1.342   6.711  11.130
  315   2HD1  ILE  13          2HD1      ILE  13  -1.271   6.631  12.891
  316   3HD1  ILE  13          3HD1      ILE  13  -2.733   7.211  12.092
  317    H    THR  14           H        THR  14  -6.343   3.660  11.379
  318    HA   THR  14           HA       THR  14  -7.553   2.386   9.181
  319    HB   THR  14           HB       THR  14  -8.785   4.577  10.859
  320    HG1  THR  14           HG1      THR  14  -9.005   3.164  12.441
  321   1HG2  THR  14          1HG2      THR  14 -10.246   2.199   9.802
  322   2HG2  THR  14          2HG2      THR  14  -9.885   3.537   8.710
  323   3HG2  THR  14          3HG2      THR  14 -10.844   3.819  10.163
  324    H    LEU  15           H        LEU  15  -8.463   3.182   7.297
  325    HA   LEU  15           HA       LEU  15  -8.337   6.019   6.712
  326   1HB   LEU  15          1HB       LEU  15  -6.092   4.871   6.114
  327   2HB   LEU  15          2HB       LEU  15  -6.984   4.138   4.795
  328    HG   LEU  15           HG       LEU  15  -5.742   6.105   4.048
  329   1HD1  LEU  15          1HD1      LEU  15  -7.843   5.553   2.927
  330   2HD1  LEU  15          2HD1      LEU  15  -7.544   7.291   2.935
  331   3HD1  LEU  15          3HD1      LEU  15  -8.715   6.593   4.053
  332   1HD2  LEU  15          1HD2      LEU  15  -5.493   7.648   5.676
  333   2HD2  LEU  15          2HD2      LEU  15  -7.081   7.332   6.375
  334   3HD2  LEU  15          3HD2      LEU  15  -6.937   8.334   4.930
  335    H    GLU  16           H        GLU  16 -10.362   6.342   6.097
  336    HA   GLU  16           HA       GLU  16 -12.019   4.334   4.975
  337   1HB   GLU  16          1HB       GLU  16 -12.921   6.155   6.333
  338   2HB   GLU  16          2HB       GLU  16 -12.429   7.319   5.122
  339   1HG   GLU  16          1HG       GLU  16 -13.951   6.320   3.528
  340   2HG   GLU  16          2HG       GLU  16 -14.439   5.148   4.739
  341    H    VAL  17           H        VAL  17 -12.499   3.831   2.938
  342    HA   VAL  17           HA       VAL  17 -11.888   5.642   0.750
  343    HB   VAL  17           HB       VAL  17 -10.626   3.914  -0.516
  344   1HG1  VAL  17          1HG1      VAL  17  -8.604   4.610   0.269
  345   2HG1  VAL  17          2HG1      VAL  17  -9.035   4.324   1.955
  346   3HG1  VAL  17          3HG1      VAL  17  -9.643   5.753   1.120
  347   1HG2  VAL  17          1HG2      VAL  17  -9.945   1.905   0.369
  348   2HG2  VAL  17          2HG2      VAL  17 -11.531   2.079   1.119
  349   3HG2  VAL  17          3HG2      VAL  17 -10.076   2.469   2.034
  350    H    GLU  18           H        GLU  18 -13.411   5.508  -0.772
  351    HA   GLU  18           HA       GLU  18 -15.494   3.537  -0.533
  352   1HB   GLU  18          1HB       GLU  18 -15.100   5.705  -2.604
  353   2HB   GLU  18          2HB       GLU  18 -16.562   4.755  -2.381
  354   1HG   GLU  18          1HG       GLU  18 -15.372   6.670  -0.386
  355   2HG   GLU  18          2HG       GLU  18 -16.787   6.960  -1.398
  356    H    SER  19           H        SER  19 -16.000   1.891  -1.946
  357    HA   SER  19           HA       SER  19 -13.955   0.518  -3.208
  358   1HB   SER  19          1HB       SER  19 -16.083  -0.539  -2.600
  359   2HB   SER  19          2HB       SER  19 -16.917   0.407  -3.832
  360    HG   SER  19           HG       SER  19 -15.356  -0.641  -5.330
  361    H    SER  20           H        SER  20 -16.279   2.805  -4.577
  362    HA   SER  20           HA       SER  20 -15.511   2.517  -7.273
  363   1HB   SER  20          1HB       SER  20 -16.736   4.905  -5.872
  364   2HB   SER  20          2HB       SER  20 -16.663   4.674  -7.619
  365    HG   SER  20           HG       SER  20 -18.271   3.431  -5.719
  366    H    ASP  21           H        ASP  21 -14.358   4.618  -4.685
  367    HA   ASP  21           HA       ASP  21 -12.786   6.371  -6.152
  368   1HB   ASP  21          1HB       ASP  21 -12.293   5.256  -3.384
  369   2HB   ASP  21          2HB       ASP  21 -11.457   6.648  -4.068
  370    H    THR  22           H        THR  22 -10.876   6.284  -7.132
  371    HA   THR  22           HA       THR  22  -9.648   3.722  -7.578
  372    HB   THR  22           HB       THR  22  -8.141   4.916  -9.093
  373    HG1  THR  22           HG1      THR  22  -9.357   7.357  -8.908
  374   1HG2  THR  22          1HG2      THR  22 -11.076   5.195  -9.235
  375   2HG2  THR  22          2HG2      THR  22  -9.950   4.465 -10.379
  376   3HG2  THR  22          3HG2      THR  22 -10.155   6.216 -10.339
  377    H    ILE  23           H        ILE  23  -7.138   3.694  -7.576
  378    HA   ILE  23           HA       ILE  23  -6.251   3.758  -4.929
  379    HB   ILE  23           HB       ILE  23  -4.585   3.790  -7.449
  380   1HG1  ILE  23          1HG1      ILE  23  -6.162   1.900  -7.326
  381   2HG1  ILE  23          2HG1      ILE  23  -4.494   1.361  -7.174
  382   1HG2  ILE  23          1HG2      ILE  23  -3.871   3.196  -4.588
  383   2HG2  ILE  23          2HG2      ILE  23  -3.170   4.412  -5.654
  384   3HG2  ILE  23          3HG2      ILE  23  -2.874   2.700  -5.955
  385   1HD1  ILE  23          1HD1      ILE  23  -4.778   1.182  -4.755
  386   2HD1  ILE  23          2HD1      ILE  23  -5.940   0.183  -5.628
  387   3HD1  ILE  23          3HD1      ILE  23  -6.452   1.713  -4.917
  388    H    ASP  24           H        ASP  24  -5.826   6.095  -7.551
  389    HA   ASP  24           HA       ASP  24  -4.014   7.821  -6.336
  390   1HB   ASP  24          1HB       ASP  24  -4.728   7.982  -8.702
  391   2HB   ASP  24          2HB       ASP  24  -6.305   8.560  -8.174
  392    H    ASN  25           H        ASN  25  -7.559   7.790  -6.185
  393    HA   ASN  25           HA       ASN  25  -7.898  10.056  -4.576
  394   1HB   ASN  25          1HB       ASN  25  -9.577   7.557  -4.854
  395   2HB   ASN  25          2HB       ASN  25 -10.092   8.974  -3.947
  396   1HD2  ASN  25          1HD2      ASN  25 -10.381   7.460  -6.801
  397   2HD2  ASN  25          2HD2      ASN  25 -10.767   8.798  -7.822
  398    H    VAL  26           H        VAL  26  -7.280   6.683  -3.760
  399    HA   VAL  26           HA       VAL  26  -7.641   6.868  -0.982
  400    HB   VAL  26           HB       VAL  26  -5.737   5.066  -2.490
  401   1HG1  VAL  26          1HG1      VAL  26  -6.796   5.008   0.322
  402   2HG1  VAL  26          2HG1      VAL  26  -5.119   4.977  -0.221
  403   3HG1  VAL  26          3HG1      VAL  26  -6.155   3.573  -0.476
  404   1HG2  VAL  26          1HG2      VAL  26  -7.450   3.594  -2.867
  405   2HG2  VAL  26          2HG2      VAL  26  -8.323   5.122  -2.986
  406   3HG2  VAL  26          3HG2      VAL  26  -8.398   4.177  -1.499
  407    H    LYS  27           H        LYS  27  -4.791   7.372  -3.026
  408    HA   LYS  27           HA       LYS  27  -2.918   7.797  -0.985
  409   1HB   LYS  27          1HB       LYS  27  -3.046   8.771  -3.833
  410   2HB   LYS  27          2HB       LYS  27  -1.692   9.136  -2.778
  411   1HG   LYS  27          1HG       LYS  27  -2.614   6.348  -3.430
  412   2HG   LYS  27          2HG       LYS  27  -1.324   7.199  -4.284
  413   1HD   LYS  27          1HD       LYS  27  -0.121   7.444  -2.133
  414   2HD   LYS  27          2HD       LYS  27  -1.379   6.483  -1.353
  415   1HE   LYS  27          1HE       LYS  27  -0.843   4.590  -2.775
  416   2HE   LYS  27          2HE       LYS  27   0.364   5.549  -3.631
  417   1HZ   LYS  27          1HZ       LYS  27   1.356   4.102  -1.953
  418   2HZ   LYS  27          2HZ       LYS  27   0.457   4.866  -0.742
  419   3HZ   LYS  27          3HZ       LYS  27   1.631   5.733  -1.597
  420    H    SER  28           H        SER  28  -4.984  10.106  -2.739
  421    HA   SER  28           HA       SER  28  -3.984  12.440  -1.579
  422   1HB   SER  28          1HB       SER  28  -6.098  13.496  -2.227
  423   2HB   SER  28          2HB       SER  28  -5.512  12.445  -3.515
  424    HG   SER  28           HG       SER  28  -7.201  11.209  -3.269
  425    H    LYS  29           H        LYS  29  -6.658  10.344  -0.521
  426    HA   LYS  29           HA       LYS  29  -7.385  11.858   1.741
  427   1HB   LYS  29          1HB       LYS  29  -7.628   8.877   1.281
  428   2HB   LYS  29          2HB       LYS  29  -8.462   9.779   2.539
  429   1HG   LYS  29          1HG       LYS  29  -9.642  11.067   0.824
  430   2HG   LYS  29          2HG       LYS  29  -8.814  10.143  -0.430
  431   1HD   LYS  29          1HD       LYS  29  -9.828   8.081   0.452
  432   2HD   LYS  29          2HD       LYS  29 -10.688   9.036   1.661
  433   1HE   LYS  29          1HE       LYS  29 -10.981   9.280  -1.331
  434   2HE   LYS  29          2HE       LYS  29 -12.124   8.497  -0.241
  435   1HZ   LYS  29          1HZ       LYS  29 -12.901  10.467   0.508
  436   2HZ   LYS  29          2HZ       LYS  29 -12.377  11.005  -1.007
  437   3HZ   LYS  29          3HZ       LYS  29 -11.413  11.260   0.359
  438    H    ILE  30           H        ILE  30  -5.105   9.157   1.368
  439    HA   ILE  30           HA       ILE  30  -4.420   8.880   4.070
  440    HB   ILE  30           HB       ILE  30  -2.716   8.365   1.626
  441   1HG1  ILE  30          1HG1      ILE  30  -4.367   6.481   3.325
  442   2HG1  ILE  30          2HG1      ILE  30  -4.830   7.077   1.736
  443   1HG2  ILE  30          1HG2      ILE  30  -1.807   6.665   3.543
  444   2HG2  ILE  30          2HG2      ILE  30  -2.170   8.104   4.496
  445   3HG2  ILE  30          3HG2      ILE  30  -1.057   8.208   3.132
  446   1HD1  ILE  30          1HD1      ILE  30  -2.237   5.652   2.048
  447   2HD1  ILE  30          2HD1      ILE  30  -3.305   5.759   0.649
  448   3HD1  ILE  30          3HD1      ILE  30  -3.739   4.729   2.013
  449    H    GLN  31           H        GLN  31  -3.110  10.973   1.540
  450    HA   GLN  31           HA       GLN  31  -0.972  12.039   3.041
  451   1HB   GLN  31          1HB       GLN  31  -1.092  12.276   0.611
  452   2HB   GLN  31          2HB       GLN  31  -2.543  13.258   0.760
  453   1HG   GLN  31          1HG       GLN  31  -1.245  14.964   1.956
  454   2HG   GLN  31          2HG       GLN  31   0.206  13.986   1.746
  455   1HE2  GLN  31          1HE2      GLN  31   1.447  14.651   0.163
  456   2HE2  GLN  31          2HE2      GLN  31   0.927  15.400  -1.304
  457    H    ASP  32           H        ASP  32  -4.337  12.987   2.641
  458    HA   ASP  32           HA       ASP  32  -4.237  15.424   4.017
  459   1HB   ASP  32          1HB       ASP  32  -6.450  13.467   3.431
  460   2HB   ASP  32          2HB       ASP  32  -6.738  14.976   4.275
  461    H    LYS  33           H        LYS  33  -5.045  12.147   5.139
  462    HA   LYS  33           HA       LYS  33  -5.457  13.037   7.848
  463   1HB   LYS  33          1HB       LYS  33  -6.666  11.116   6.710
  464   2HB   LYS  33          2HB       LYS  33  -5.181  10.194   6.872
  465   1HG   LYS  33          1HG       LYS  33  -6.568  11.425   9.235
  466   2HG   LYS  33          2HG       LYS  33  -6.970   9.819   8.625
  467   1HD   LYS  33          1HD       LYS  33  -4.675   9.089   8.990
  468   2HD   LYS  33          2HD       LYS  33  -4.235  10.705   9.546
  469   1HE   LYS  33          1HE       LYS  33  -4.596   9.194  11.428
  470   2HE   LYS  33          2HE       LYS  33  -5.787  10.493  11.416
  471   1HZ   LYS  33          1HZ       LYS  33  -6.656   8.192  11.868
  472   2HZ   LYS  33          2HZ       LYS  33  -6.331   7.826  10.248
  473   3HZ   LYS  33          3HZ       LYS  33  -7.443   9.041  10.633
  474    H    GLU  34           H        GLU  34  -3.208  10.650   6.450
  475    HA   GLU  34           HA       GLU  34  -1.540  10.527   8.708
  476   1HB   GLU  34          1HB       GLU  34  -0.949   9.812   5.835
  477   2HB   GLU  34          2HB       GLU  34   0.047   9.359   7.211
  478   1HG   GLU  34          1HG       GLU  34  -2.823   8.544   6.818
  479   2HG   GLU  34          2HG       GLU  34  -1.423   7.545   6.433
  480    H    GLY  35           H        GLY  35  -1.344  12.500   5.770
  481   1HA   GLY  35          1HA       GLY  35  -0.250  14.557   5.574
  482   2HA   GLY  35          2HA       GLY  35   0.495  14.283   7.142
  483    H    ILE  36           H        ILE  36   0.505  12.408   4.119
  484    HA   ILE  36           HA       ILE  36   3.385  12.839   3.857
  485    HB   ILE  36           HB       ILE  36   2.105  10.107   4.026
  486   1HG1  ILE  36          1HG1      ILE  36   4.291  11.403   5.672
  487   2HG1  ILE  36          2HG1      ILE  36   2.628  11.160   6.194
  488   1HG2  ILE  36          1HG2      ILE  36   4.808  10.958   3.042
  489   2HG2  ILE  36          2HG2      ILE  36   3.635   9.887   2.274
  490   3HG2  ILE  36          3HG2      ILE  36   4.527   9.344   3.695
  491   1HD1  ILE  36          1HD1      ILE  36   2.996   8.703   5.912
  492   2HD1  ILE  36          2HD1      ILE  36   3.951   9.463   7.184
  493   3HD1  ILE  36          3HD1      ILE  36   4.702   9.059   5.641
  494    HA   PRO  37           HA       PRO  37   2.183  13.349  -0.391
  495   1HB   PRO  37          1HB       PRO  37   4.662  12.815  -1.498
  496   2HB   PRO  37          2HB       PRO  37   4.149  14.386  -0.875
  497   1HG   PRO  37          1HG       PRO  37   5.805  12.273   0.437
  498   2HG   PRO  37          2HG       PRO  37   5.995  14.036   0.479
  499   1HD   PRO  37          1HD       PRO  37   4.932  12.695   2.542
  500   2HD   PRO  37          2HD       PRO  37   4.332  14.301   2.075
  501    HA   PRO  38           HA       PRO  38   1.235   9.177  -1.625
  502   1HB   PRO  38          1HB       PRO  38   0.878  10.375  -4.308
  503   2HB   PRO  38          2HB       PRO  38  -0.268   9.465  -3.320
  504   1HG   PRO  38          1HG       PRO  38  -0.518  12.104  -3.643
  505   2HG   PRO  38          2HG       PRO  38  -0.895  11.326  -2.095
  506   1HD   PRO  38          1HD       PRO  38   1.532  12.883  -2.896
  507   2HD   PRO  38          2HD       PRO  38   0.647  12.888  -1.357
  508    H    ASP  39           H        ASP  39   3.314  11.208  -3.647
  509    HA   ASP  39           HA       ASP  39   4.401   9.263  -5.296
  510   1HB   ASP  39          1HB       ASP  39   5.717  11.757  -4.206
  511   2HB   ASP  39          2HB       ASP  39   6.317  10.812  -5.567
  512    H    GLN  40           H        GLN  40   5.616  10.389  -2.137
  513    HA   GLN  40           HA       GLN  40   7.882   8.720  -2.103
  514   1HB   GLN  40          1HB       GLN  40   6.337   9.913   0.200
  515   2HB   GLN  40          2HB       GLN  40   7.917   9.156   0.339
  516   1HG   GLN  40          1HG       GLN  40   8.835  10.853  -1.188
  517   2HG   GLN  40          2HG       GLN  40   7.254  11.630  -1.240
  518   1HE2  GLN  40          1HE2      GLN  40   7.550  10.417   1.792
  519   2HE2  GLN  40          2HE2      GLN  40   8.201  11.798   2.597
  520    H    GLN  41           H        GLN  41   4.763   8.324  -0.417
  521    HA   GLN  41           HA       GLN  41   5.368   5.721   0.524
  522   1HB   GLN  41          1HB       GLN  41   2.942   5.607   1.056
  523   2HB   GLN  41          2HB       GLN  41   3.731   7.051   1.676
  524   1HG   GLN  41          1HG       GLN  41   2.835   8.346  -0.186
  525   2HG   GLN  41          2HG       GLN  41   2.051   6.900  -0.815
  526   1HE2  GLN  41          1HE2      GLN  41   1.514   9.639   0.842
  527   2HE2  GLN  41          2HE2      GLN  41   0.136   9.171   1.773
  528    H    ARG  42           H        ARG  42   5.047   3.754  -0.327
  529    HA   ARG  42           HA       ARG  42   3.707   3.590  -2.949
  530   1HB   ARG  42          1HB       ARG  42   6.129   2.055  -1.985
  531   2HB   ARG  42          2HB       ARG  42   5.293   1.759  -3.503
  532   1HG   ARG  42          1HG       ARG  42   6.595   4.373  -2.771
  533   2HG   ARG  42          2HG       ARG  42   7.368   3.104  -3.722
  534   1HD   ARG  42          1HD       ARG  42   5.596   3.284  -5.399
  535   2HD   ARG  42          2HD       ARG  42   4.819   4.547  -4.446
  536    HE   ARG  42           HE       ARG  42   7.444   5.347  -4.954
  537   1HH1  ARG  42          1HH1      ARG  42   4.499   4.729  -6.711
  538   2HH1  ARG  42          2HH1      ARG  42   4.854   5.871  -7.964
  539   1HH2  ARG  42          1HH2      ARG  42   7.920   6.854  -6.602
  540   2HH2  ARG  42          2HH2      ARG  42   6.799   7.077  -7.903
  541    H    LEU  43           H        LEU  43   1.950   2.354  -2.918
  542    HA   LEU  43           HA       LEU  43   1.422   0.633  -0.656
  543   1HB   LEU  43          1HB       LEU  43  -0.229   1.332  -3.080
  544   2HB   LEU  43          2HB       LEU  43  -0.781   0.280  -1.791
  545    HG   LEU  43           HG       LEU  43  -0.062   3.198  -1.497
  546   1HD1  LEU  43          1HD1      LEU  43  -2.256   2.384  -2.682
  547   2HD1  LEU  43          2HD1      LEU  43  -2.295   3.702  -1.511
  548   3HD1  LEU  43          3HD1      LEU  43  -2.778   2.076  -1.026
  549   1HD2  LEU  43          1HD2      LEU  43  -1.453   1.591   0.594
  550   2HD2  LEU  43          2HD2      LEU  43  -0.484   3.056   0.758
  551   3HD2  LEU  43          3HD2      LEU  43   0.304   1.506   0.465
  552    H    ILE  44           H        ILE  44   1.214  -1.547  -0.649
  553    HA   ILE  44           HA       ILE  44   1.643  -3.034  -3.133
  554    HB   ILE  44           HB       ILE  44   3.306  -3.443  -0.640
  555   1HG1  ILE  44          1HG1      ILE  44   4.093  -2.632  -3.448
  556   2HG1  ILE  44          2HG1      ILE  44   4.046  -1.563  -2.051
  557   1HG2  ILE  44          1HG2      ILE  44   4.282  -5.010  -2.748
  558   2HG2  ILE  44          2HG2      ILE  44   2.538  -5.270  -2.716
  559   3HG2  ILE  44          3HG2      ILE  44   3.500  -5.564  -1.268
  560   1HD1  ILE  44          1HD1      ILE  44   5.868  -3.924  -2.441
  561   2HD1  ILE  44          2HD1      ILE  44   5.792  -2.931  -0.985
  562   3HD1  ILE  44          3HD1      ILE  44   6.312  -2.218  -2.513
  563    H    PHE  45           H        PHE  45   0.548  -4.937  -3.216
  564    HA   PHE  45           HA       PHE  45  -0.407  -6.275  -0.862
  565   1HB   PHE  45          1HB       PHE  45  -2.039  -4.418  -1.060
  566   2HB   PHE  45          2HB       PHE  45  -2.433  -4.961  -2.687
  567    HD1  PHE  45           HD1      PHE  45  -2.071  -6.601   0.653
  568    HD2  PHE  45           HD2      PHE  45  -4.461  -6.009  -2.819
  569    HE1  PHE  45           HE1      PHE  45  -3.780  -8.111   1.576
  570    HE2  PHE  45           HE2      PHE  45  -6.175  -7.517  -1.901
  571    HZ   PHE  45           HZ       PHE  45  -5.836  -8.570   0.299
  572    H    ALA  46           H        ALA  46  -1.103  -8.355  -1.279
  573    HA   ALA  46           HA       ALA  46  -1.071 -10.350  -2.382
  574   1HB   ALA  46          1HB       ALA  46  -2.754 -10.537  -3.874
  575   2HB   ALA  46          2HB       ALA  46  -2.176  -9.193  -4.859
  576   3HB   ALA  46          3HB       ALA  46  -3.088  -8.876  -3.383
  577    H    GLY  47           H        GLY  47   1.333  -8.870  -2.575
  578   1HA   GLY  47          1HA       GLY  47   3.329  -8.907  -3.704
  579   2HA   GLY  47          2HA       GLY  47   2.689 -10.297  -4.569
  580    H    LYS  48           H        LYS  48   1.446  -6.980  -4.554
  581    HA   LYS  48           HA       LYS  48   2.523  -6.401  -7.157
  582   1HB   LYS  48          1HB       LYS  48   0.632  -7.821  -7.779
  583   2HB   LYS  48          2HB       LYS  48  -0.454  -6.817  -6.827
  584   1HG   LYS  48          1HG       LYS  48   0.021  -4.921  -8.302
  585   2HG   LYS  48          2HG       LYS  48   1.079  -5.950  -9.269
  586   1HD   LYS  48          1HD       LYS  48  -1.084  -5.787 -10.337
  587   2HD   LYS  48          2HD       LYS  48  -0.849  -7.429  -9.735
  588   1HE   LYS  48          1HE       LYS  48  -2.198  -6.889  -7.760
  589   2HE   LYS  48          2HE       LYS  48  -2.439  -5.255  -8.376
  590   1HZ   LYS  48          1HZ       LYS  48  -3.199  -6.933 -10.419
  591   2HZ   LYS  48          2HZ       LYS  48  -4.219  -6.037  -9.411
  592   3HZ   LYS  48          3HZ       LYS  48  -3.841  -7.638  -9.021
  593    H    GLN  49           H        GLN  49   2.833  -4.286  -7.337
  594    HA   GLN  49           HA       GLN  49   2.118  -2.516  -5.243
  595   1HB   GLN  49          1HB       GLN  49   3.349  -2.083  -7.958
  596   2HB   GLN  49          2HB       GLN  49   3.033  -0.757  -6.850
  597   1HG   GLN  49          1HG       GLN  49   5.333  -1.434  -6.686
  598   2HG   GLN  49          2HG       GLN  49   4.492  -1.818  -5.187
  599   1HE2  GLN  49          1HE2      GLN  49   6.533  -2.962  -7.553
  600   2HE2  GLN  49          2HE2      GLN  49   6.440  -4.650  -7.198
  601    H    LEU  50           H        LEU  50   0.530  -1.027  -5.068
  602    HA   LEU  50           HA       LEU  50  -1.799  -1.315  -6.671
  603   1HB   LEU  50          1HB       LEU  50  -1.013   0.676  -4.550
  604   2HB   LEU  50          2HB       LEU  50  -2.556   0.747  -5.374
  605    HG   LEU  50           HG       LEU  50  -2.756  -0.318  -3.186
  606   1HD1  LEU  50          1HD1      LEU  50  -3.146  -2.610  -5.017
  607   2HD1  LEU  50          2HD1      LEU  50  -3.969  -1.101  -5.413
  608   3HD1  LEU  50          3HD1      LEU  50  -4.253  -1.878  -3.855
  609   1HD2  LEU  50          1HD2      LEU  50  -0.494  -1.257  -3.043
  610   2HD2  LEU  50          2HD2      LEU  50  -0.919  -2.445  -4.276
  611   3HD2  LEU  50          3HD2      LEU  50  -1.736  -2.465  -2.713
  612    H    GLU  51           H        GLU  51  -2.147  -0.467  -8.615
  613    HA   GLU  51           HA       GLU  51  -0.427   1.584  -9.670
  614   1HB   GLU  51          1HB       GLU  51  -2.830   0.206 -10.863
  615   2HB   GLU  51          2HB       GLU  51  -1.779   1.321 -11.728
  616   1HG   GLU  51          1HG       GLU  51  -0.994  -1.332 -10.546
  617   2HG   GLU  51          2HG       GLU  51  -1.191  -0.948 -12.252
  618    H    ASP  52           H        ASP  52  -0.842   3.702  -9.917
  619    HA   ASP  52           HA       ASP  52  -3.074   4.831  -8.517
  620   1HB   ASP  52          1HB       ASP  52  -0.899   6.153 -10.149
  621   2HB   ASP  52          2HB       ASP  52  -2.055   6.999  -9.122
  622    H    GLY  53           H        GLY  53  -4.332   3.424 -10.396
  623   1HA   GLY  53          1HA       GLY  53  -5.838   5.374 -11.781
  624   2HA   GLY  53          2HA       GLY  53  -4.734   4.595 -12.901
  625    H    ARG  54           H        ARG  54  -6.271   2.982 -10.170
  626    HA   ARG  54           HA       ARG  54  -8.208   1.706 -11.927
  627   1HB   ARG  54          1HB       ARG  54  -6.096   0.180 -10.405
  628   2HB   ARG  54          2HB       ARG  54  -7.558  -0.558 -11.031
  629   1HG   ARG  54          1HG       ARG  54  -6.057  -1.051 -12.688
  630   2HG   ARG  54          2HG       ARG  54  -6.761   0.445 -13.301
  631   1HD   ARG  54          1HD       ARG  54  -4.858   1.681 -12.279
  632   2HD   ARG  54          2HD       ARG  54  -4.140   0.132 -11.848
  633    HE   ARG  54           HE       ARG  54  -3.966   1.402 -14.343
  634   1HH1  ARG  54          1HH1      ARG  54  -4.506  -1.771 -12.990
  635   2HH1  ARG  54          2HH1      ARG  54  -3.873  -2.602 -14.372
  636   1HH2  ARG  54          1HH2      ARG  54  -3.133   0.312 -16.153
  637   2HH2  ARG  54          2HH2      ARG  54  -3.093  -1.419 -16.167
  638    H    THR  55           H        THR  55 -10.061   1.169 -10.926
  639    HA   THR  55           HA       THR  55 -10.591   2.201  -8.343
  640    HB   THR  55           HB       THR  55 -12.826   1.222  -8.595
  641    HG1  THR  55           HG1      THR  55 -12.279   0.247 -11.144
  642   1HG2  THR  55          1HG2      THR  55 -13.450   2.821 -10.050
  643   2HG2  THR  55          2HG2      THR  55 -12.435   2.175 -11.339
  644   3HG2  THR  55          3HG2      THR  55 -11.733   3.222 -10.107
  645    H    LEU  56           H        LEU  56 -10.986   1.194  -6.401
  646    HA   LEU  56           HA       LEU  56  -9.468  -1.050  -5.726
  647   1HB   LEU  56          1HB       LEU  56 -11.856   0.129  -4.306
  648   2HB   LEU  56          2HB       LEU  56 -10.766  -1.052  -3.609
  649    HG   LEU  56           HG       LEU  56 -10.023   1.752  -4.448
  650   1HD1  LEU  56          1HD1      LEU  56 -10.339   2.417  -2.328
  651   2HD1  LEU  56          2HD1      LEU  56  -9.742   0.898  -1.657
  652   3HD1  LEU  56          3HD1      LEU  56 -11.406   1.016  -2.232
  653   1HD2  LEU  56          1HD2      LEU  56  -7.992   0.789  -4.659
  654   2HD2  LEU  56          2HD2      LEU  56  -8.436  -0.614  -3.686
  655   3HD2  LEU  56          3HD2      LEU  56  -7.994   0.902  -2.899
  656    H    SER  57           H        SER  57 -12.841  -0.763  -6.677
  657    HA   SER  57           HA       SER  57 -13.837  -3.218  -5.926
  658   1HB   SER  57          1HB       SER  57 -15.231  -1.462  -6.914
  659   2HB   SER  57          2HB       SER  57 -14.443  -1.699  -8.474
  660    HG   SER  57           HG       SER  57 -15.741  -3.822  -7.142
  661    H    ASP  58           H        ASP  58 -11.926  -2.418  -8.792
  662    HA   ASP  58           HA       ASP  58 -12.129  -4.881 -10.107
  663   1HB   ASP  58          1HB       ASP  58 -11.212  -2.847 -11.156
  664   2HB   ASP  58          2HB       ASP  58  -9.804  -2.940 -10.104
  665    H    TYR  59           H        TYR  59  -9.884  -3.746  -7.628
  666    HA   TYR  59           HA       TYR  59  -8.283  -6.106  -7.628
  667   1HB   TYR  59          1HB       TYR  59  -8.556  -3.886  -5.592
  668   2HB   TYR  59          2HB       TYR  59  -7.373  -5.184  -5.484
  669    HD1  TYR  59           HD1      TYR  59  -5.248  -4.489  -6.008
  670    HD2  TYR  59           HD2      TYR  59  -8.514  -2.861  -8.197
  671    HE1  TYR  59           HE1      TYR  59  -3.676  -3.173  -7.366
  672    HE2  TYR  59           HE2      TYR  59  -6.951  -1.545  -9.560
  673    HH   TYR  59           HH       TYR  59  -4.149  -2.011 -10.122
  674    H    ASN  60           H        ASN  60 -11.175  -5.095  -5.971
  675    HA   ASN  60           HA       ASN  60 -12.638  -6.191  -4.618
  676   1HB   ASN  60          1HB       ASN  60 -11.048  -8.632  -5.444
  677   2HB   ASN  60          2HB       ASN  60 -12.570  -8.676  -4.560
  678   1HD2  ASN  60          1HD2      ASN  60 -14.241  -9.115  -5.780
  679   2HD2  ASN  60          2HD2      ASN  60 -14.443  -8.679  -7.439
  680    H    ILE  61           H        ILE  61 -10.468  -4.915  -3.472
  681    HA   ILE  61           HA       ILE  61  -9.000  -6.428  -1.624
  682    HB   ILE  61           HB       ILE  61  -9.874  -3.546  -1.388
  683   1HG1  ILE  61          1HG1      ILE  61  -7.333  -4.732  -2.530
  684   2HG1  ILE  61          2HG1      ILE  61  -8.649  -4.048  -3.479
  685   1HG2  ILE  61          1HG2      ILE  61  -8.857  -4.979   0.616
  686   2HG2  ILE  61          2HG2      ILE  61  -8.461  -3.278   0.369
  687   3HG2  ILE  61          3HG2      ILE  61  -7.352  -4.532  -0.188
  688   1HD1  ILE  61          1HD1      ILE  61  -6.520  -2.716  -1.955
  689   2HD1  ILE  61          2HD1      ILE  61  -8.118  -1.975  -1.856
  690   3HD1  ILE  61          3HD1      ILE  61  -7.353  -2.218  -3.427
  691    H    GLN  62           H        GLN  62  -9.454  -7.256   0.319
  692    HA   GLN  62           HA       GLN  62 -12.143  -7.415   1.223
  693   1HB   GLN  62          1HB       GLN  62 -11.219  -8.665   3.120
  694   2HB   GLN  62          2HB       GLN  62 -10.553  -9.234   1.596
  695   1HG   GLN  62          1HG       GLN  62  -8.520  -7.932   2.009
  696   2HG   GLN  62          2HG       GLN  62  -9.188  -7.394   3.547
  697   1HE2  GLN  62          1HE2      GLN  62 -10.260 -10.468   3.123
  698   2HE2  GLN  62          2HE2      GLN  62  -9.024 -11.326   3.968
  699    H    LYS  63           H        LYS  63 -13.146  -6.455   2.969
  700    HA   LYS  63           HA       LYS  63 -12.509  -3.818   3.569
  701   1HB   LYS  63          1HB       LYS  63 -14.162  -4.013   5.401
  702   2HB   LYS  63          2HB       LYS  63 -14.752  -4.672   3.882
  703   1HG   LYS  63          1HG       LYS  63 -14.252  -6.932   4.667
  704   2HG   LYS  63          2HG       LYS  63 -13.661  -6.269   6.191
  705   1HD   LYS  63          1HD       LYS  63 -15.938  -7.084   6.444
  706   2HD   LYS  63          2HD       LYS  63 -15.889  -5.330   6.632
  707   1HE   LYS  63          1HE       LYS  63 -17.798  -6.041   5.273
  708   2HE   LYS  63          2HE       LYS  63 -16.674  -5.047   4.346
  709   1HZ   LYS  63          1HZ       LYS  63 -17.532  -7.080   3.192
  710   2HZ   LYS  63          2HZ       LYS  63 -16.632  -8.009   4.282
  711   3HZ   LYS  63          3HZ       LYS  63 -15.846  -6.939   3.234
  712    H    GLU  64           H        GLU  64 -11.409  -2.802   5.158
  713    HA   GLU  64           HA       GLU  64  -9.901  -2.438   6.810
  714   1HB   GLU  64          1HB       GLU  64 -10.910  -5.087   7.860
  715   2HB   GLU  64          2HB       GLU  64  -9.908  -3.955   8.759
  716   1HG   GLU  64          1HG       GLU  64 -11.680  -2.276   8.615
  717   2HG   GLU  64          2HG       GLU  64 -12.684  -3.419   7.724
  718    H    SER  65           H        SER  65  -8.937  -3.549   4.436
  719    HA   SER  65           HA       SER  65  -6.998  -5.589   5.175
  720   1HB   SER  65          1HB       SER  65  -8.103  -5.773   2.994
  721   2HB   SER  65          2HB       SER  65  -7.480  -4.190   2.533
  722    HG   SER  65           HG       SER  65  -6.063  -5.624   1.689
  723    H    THR  66           H        THR  66  -4.812  -5.271   5.371
  724    HA   THR  66           HA       THR  66  -3.962  -2.521   5.719
  725    HB   THR  66           HB       THR  66  -1.839  -3.614   6.555
  726    HG1  THR  66           HG1      THR  66  -1.880  -5.642   5.742
  727   1HG2  THR  66          1HG2      THR  66  -4.513  -3.706   7.778
  728   2HG2  THR  66          2HG2      THR  66  -3.017  -2.985   8.373
  729   3HG2  THR  66          3HG2      THR  66  -3.292  -4.719   8.550
  730    H    LEU  67           H        LEU  67  -2.932  -1.415   4.201
  731    HA   LEU  67           HA       LEU  67  -1.775  -2.838   1.925
  732   1HB   LEU  67          1HB       LEU  67  -2.543   0.030   2.379
  733   2HB   LEU  67          2HB       LEU  67  -1.552  -0.452   1.016
  734    HG   LEU  67           HG       LEU  67  -3.825  -0.257   0.287
  735   1HD1  LEU  67          1HD1      LEU  67  -3.889  -2.149  -0.942
  736   2HD1  LEU  67          2HD1      LEU  67  -3.668  -3.197   0.460
  737   3HD1  LEU  67          3HD1      LEU  67  -2.282  -2.366  -0.247
  738   1HD2  LEU  67          1HD2      LEU  67  -4.973  -0.497   2.402
  739   2HD2  LEU  67          2HD2      LEU  67  -4.511  -2.197   2.485
  740   3HD2  LEU  67          3HD2      LEU  67  -5.620  -1.645   1.229
  741    H    HIS  68           H        HIS  68   0.357  -3.052   1.645
  742    HA   HIS  68           HA       HIS  68   2.176  -2.182   3.654
  743   1HB   HIS  68          1HB       HIS  68   2.694  -3.385   0.929
  744   2HB   HIS  68          2HB       HIS  68   3.909  -3.172   2.184
  745    HD1  HIS  68           HD1      HIS  68   2.961  -4.381   4.600
  746    HD2  HIS  68           HD2      HIS  68   1.790  -5.919   0.922
  747    HE1  HIS  68           HE1      HIS  68   2.232  -6.744   5.060
  748    HE2  HIS  68           HE2      HIS  68   1.543  -7.662   2.817
  749    H    LEU  69           H        LEU  69   3.208  -0.310   3.824
  750    HA   LEU  69           HA       LEU  69   3.259   1.483   1.491
  751   1HB   LEU  69          1HB       LEU  69   2.113   2.268   3.550
  752   2HB   LEU  69          2HB       LEU  69   3.629   2.140   4.417
  753    HG   LEU  69           HG       LEU  69   3.336   3.936   2.018
  754   1HD1  LEU  69          1HD1      LEU  69   2.322   5.555   3.192
  755   2HD1  LEU  69          2HD1      LEU  69   3.216   5.184   4.666
  756   3HD1  LEU  69          3HD1      LEU  69   1.790   4.239   4.237
  757   1HD2  LEU  69          1HD2      LEU  69   5.494   4.301   2.401
  758   2HD2  LEU  69          2HD2      LEU  69   5.458   3.242   3.811
  759   3HD2  LEU  69          3HD2      LEU  69   5.074   4.955   3.984
  760    H    VAL  70           H        VAL  70   5.143   2.251   0.661
  761    HA   VAL  70           HA       VAL  70   7.647   1.528   2.041
  762    HB   VAL  70           HB       VAL  70   7.254   1.430  -0.954
  763   1HG1  VAL  70          1HG1      VAL  70   9.471   0.096  -0.675
  764   2HG1  VAL  70          2HG1      VAL  70   9.574   0.949   0.868
  765   3HG1  VAL  70          3HG1      VAL  70   9.502   1.862  -0.639
  766   1HG2  VAL  70          1HG2      VAL  70   6.856  -0.611   1.131
  767   2HG2  VAL  70          2HG2      VAL  70   7.813  -1.119  -0.262
  768   3HG2  VAL  70          3HG2      VAL  70   6.178  -0.497  -0.493
  769    H    LEU  71           H        LEU  71   8.969   3.209   2.358
  770    HA   LEU  71           HA       LEU  71   8.273   5.800   1.334
  771   1HB   LEU  71          1HB       LEU  71  10.583   4.859   3.032
  772   2HB   LEU  71          2HB       LEU  71  10.321   6.535   2.591
  773    HG   LEU  71           HG       LEU  71   9.523   6.198   4.826
  774   1HD1  LEU  71          1HD1      LEU  71   7.941   7.171   2.737
  775   2HD1  LEU  71          2HD1      LEU  71   7.812   7.551   4.454
  776   3HD1  LEU  71          3HD1      LEU  71   6.858   6.236   3.768
  777   1HD2  LEU  71          1HD2      LEU  71   9.093   3.663   4.294
  778   2HD2  LEU  71          2HD2      LEU  71   7.455   4.232   3.977
  779   3HD2  LEU  71          3HD2      LEU  71   8.187   4.490   5.560
  780    H    ARG  72           H        ARG  72   8.986   6.738  -0.452
  781    HA   ARG  72           HA       ARG  72  10.907   5.413  -2.134
  782   1HB   ARG  72          1HB       ARG  72   8.938   6.516  -3.095
  783   2HB   ARG  72          2HB       ARG  72   9.490   8.062  -2.468
  784   1HG   ARG  72          1HG       ARG  72   9.973   7.894  -4.825
  785   2HG   ARG  72          2HG       ARG  72  11.475   7.927  -3.900
  786   1HD   ARG  72          1HD       ARG  72  11.625   5.484  -4.084
  787   2HD   ARG  72          2HD       ARG  72  10.137   5.469  -5.028
  788    HE   ARG  72           HE       ARG  72  12.726   5.957  -6.011
  789   1HH1  ARG  72          1HH1      ARG  72   9.460   7.137  -6.328
  790   2HH1  ARG  72          2HH1      ARG  72   9.689   7.710  -7.946
  791   1HH2  ARG  72          1HH2      ARG  72  13.034   6.711  -8.136
  792   2HH2  ARG  72          2HH2      ARG  72  11.720   7.466  -8.974
  793    H    LEU  73           H        LEU  73  13.009   5.880  -2.398
  794    HA   LEU  73           HA       LEU  73  14.301   7.661  -0.578
  795   1HB   LEU  73          1HB       LEU  73  15.396   6.166  -2.963
  796   2HB   LEU  73          2HB       LEU  73  16.368   7.016  -1.777
  797    HG   LEU  73           HG       LEU  73  14.627   4.610  -1.226
  798   1HD1  LEU  73          1HD1      LEU  73  17.547   4.543  -0.829
  799   2HD1  LEU  73          2HD1      LEU  73  16.990   4.576  -2.502
  800   3HD1  LEU  73          3HD1      LEU  73  16.449   3.295  -1.418
  801   1HD2  LEU  73          1HD2      LEU  73  15.535   6.612   0.530
  802   2HD2  LEU  73          2HD2      LEU  73  16.560   5.203   0.802
  803   3HD2  LEU  73          3HD2      LEU  73  14.808   5.059   0.942
  804    H    ARG  74           H        ARG  74  15.155   9.653  -0.913
  805    HA   ARG  74           HA       ARG  74  15.630  10.817  -3.437
  806   1HB   ARG  74          1HB       ARG  74  13.172  10.843  -3.562
  807   2HB   ARG  74          2HB       ARG  74  13.104  11.738  -2.051
  808   1HG   ARG  74          1HG       ARG  74  14.247  13.615  -3.092
  809   2HG   ARG  74          2HG       ARG  74  14.361  12.717  -4.607
  810   1HD   ARG  74          1HD       ARG  74  11.913  12.625  -4.723
  811   2HD   ARG  74          2HD       ARG  74  11.812  13.539  -3.219
  812    HE   ARG  74           HE       ARG  74  13.352  14.998  -5.045
  813   1HH1  ARG  74          1HH1      ARG  74  10.061  13.943  -4.587
  814   2HH1  ARG  74          2HH1      ARG  74   9.376  15.284  -5.443
  815   1HH2  ARG  74          1HH2      ARG  74  12.461  16.765  -6.173
  816   2HH2  ARG  74          2HH2      ARG  74  10.742  16.889  -6.346
  817    H    GLY  75           H        GLY  75  17.041  12.434  -3.168
  818   1HA   GLY  75          1HA       GLY  75  17.994  13.126  -0.609
  819   2HA   GLY  75          2HA       GLY  75  18.410  13.941  -2.109
  820    H    GLY  76           H        GLY  76  17.455  14.658   0.806
  821   1HA   GLY  76          1HA       GLY  76  16.344  16.420   1.767
  822   2HA   GLY  76          2HA       GLY  76  16.436  17.190   0.190
  Start of MODEL    3
    1   1H    TYR 255          1H        TYR 255  24.985  -2.935  -7.708
    2   2H    TYR 255          2H        TYR 255  23.295  -2.946  -7.766
    3   3H    TYR 255          3H        TYR 255  24.104  -3.779  -6.536
    4    HA   TYR 255           HA       TYR 255  25.088  -1.495  -5.949
    5   1HB   TYR 255          1HB       TYR 255  22.635  -0.809  -7.579
    6   2HB   TYR 255          2HB       TYR 255  23.409   0.317  -6.472
    7    HD1  TYR 255           HD1      TYR 255  24.664   1.914  -7.532
    8    HD2  TYR 255           HD2      TYR 255  24.583  -2.010  -9.175
    9    HE1  TYR 255           HE1      TYR 255  26.188   2.638  -9.321
   10    HE2  TYR 255           HE2      TYR 255  26.108  -1.298 -10.966
   11    HH   TYR 255           HH       TYR 255  26.686   0.952 -12.108
   12    HA   PRO 256           HA       PRO 256  22.795  -2.656  -2.327
   13   1HB   PRO 256          1HB       PRO 256  23.366   0.146  -1.496
   14   2HB   PRO 256          2HB       PRO 256  23.683  -1.368  -0.642
   15   1HG   PRO 256          1HG       PRO 256  25.668  -0.032  -1.801
   16   2HG   PRO 256          2HG       PRO 256  25.611  -1.804  -1.863
   17   1HD   PRO 256          1HD       PRO 256  24.940   0.192  -3.984
   18   2HD   PRO 256          2HD       PRO 256  25.747  -1.383  -4.131
   19    H    GLU 257           H        GLU 257  20.743  -2.406  -1.504
   20    HA   GLU 257           HA       GLU 257  19.193  -0.038  -2.132
   21   1HB   GLU 257          1HB       GLU 257  17.419  -1.206  -3.291
   22   2HB   GLU 257          2HB       GLU 257  18.934  -1.457  -4.143
   23   1HG   GLU 257          1HG       GLU 257  17.617  -3.425  -2.283
   24   2HG   GLU 257          2HG       GLU 257  17.591  -3.489  -4.044
   25    H    ASP 258           H        ASP 258  17.864   0.437  -0.513
   26    HA   ASP 258           HA       ASP 258  17.486  -1.548   1.600
   27   1HB   ASP 258          1HB       ASP 258  16.958   1.431   1.590
   28   2HB   ASP 258          2HB       ASP 258  16.782   0.370   2.983
   29    H    GLU 259           H        GLU 259  15.592   0.697  -0.385
   30    HA   GLU 259           HA       GLU 259  13.076   0.144   0.649
   31   1HB   GLU 259          1HB       GLU 259  12.164   1.111  -1.347
   32   2HB   GLU 259          2HB       GLU 259  13.612   2.002  -0.909
   33   1HG   GLU 259          1HG       GLU 259  13.511  -0.141  -3.020
   34   2HG   GLU 259          2HG       GLU 259  13.352   1.583  -3.340
   35    H    GLU 260           H        GLU 260  14.869  -1.564  -1.875
   36    HA   GLU 260           HA       GLU 260  12.805  -3.210  -2.786
   37   1HB   GLU 260          1HB       GLU 260  14.958  -2.974  -3.937
   38   2HB   GLU 260          2HB       GLU 260  15.758  -3.824  -2.622
   39   1HG   GLU 260          1HG       GLU 260  14.464  -5.830  -3.125
   40   2HG   GLU 260          2HG       GLU 260  13.653  -4.978  -4.439
   41    H    GLU 261           H        GLU 261  15.063  -3.646  -0.096
   42    HA   GLU 261           HA       GLU 261  14.372  -6.288   0.550
   43   1HB   GLU 261          1HB       GLU 261  16.365  -5.169   1.440
   44   2HB   GLU 261          2HB       GLU 261  15.346  -4.081   2.371
   45   1HG   GLU 261          1HG       GLU 261  14.499  -5.973   3.660
   46   2HG   GLU 261          2HG       GLU 261  15.522  -7.065   2.727
   47    H    LEU 262           H        LEU 262  13.182  -3.228   1.938
   48    HA   LEU 262           HA       LEU 262  11.333  -4.386   3.697
   49   1HB   LEU 262          1HB       LEU 262  11.475  -1.669   2.420
   50   2HB   LEU 262          2HB       LEU 262  10.174  -2.105   3.509
   51    HG   LEU 262           HG       LEU 262  11.850  -0.859   4.714
   52   1HD1  LEU 262          1HD1      LEU 262  11.184  -3.609   5.362
   53   2HD1  LEU 262          2HD1      LEU 262  11.175  -2.169   6.380
   54   3HD1  LEU 262          3HD1      LEU 262  12.673  -3.068   6.136
   55   1HD2  LEU 262          1HD2      LEU 262  13.851  -3.010   4.078
   56   2HD2  LEU 262          2HD2      LEU 262  14.125  -1.464   4.882
   57   3HD2  LEU 262          3HD2      LEU 262  13.732  -1.506   3.163
   58    H    ILE 263           H        ILE 263  11.062  -3.487   0.306
   59    HA   ILE 263           HA       ILE 263   8.265  -3.755   0.123
   60    HB   ILE 263           HB       ILE 263  10.445  -3.308  -1.733
   61   1HG1  ILE 263          1HG1      ILE 263   7.507  -2.689  -1.961
   62   2HG1  ILE 263          2HG1      ILE 263   8.610  -1.767  -0.951
   63   1HG2  ILE 263          1HG2      ILE 263   9.722  -5.508  -2.612
   64   2HG2  ILE 263          2HG2      ILE 263   9.413  -4.185  -3.737
   65   3HG2  ILE 263          3HG2      ILE 263   8.089  -4.868  -2.793
   66   1HD1  ILE 263          1HD1      ILE 263   9.945  -1.584  -3.220
   67   2HD1  ILE 263          2HD1      ILE 263   8.631  -0.482  -2.799
   68   3HD1  ILE 263          3HD1      ILE 263   8.332  -1.838  -3.889
   69    H    ARG 264           H        ARG 264  10.856  -6.108  -0.681
   70    HA   ARG 264           HA       ARG 264   9.081  -8.140  -1.462
   71   1HB   ARG 264          1HB       ARG 264  10.911  -9.711  -1.085
   72   2HB   ARG 264          2HB       ARG 264  11.454  -8.291  -1.966
   73   1HG   ARG 264          1HG       ARG 264  12.397  -7.377   0.104
   74   2HG   ARG 264          2HG       ARG 264  11.874  -8.824   0.968
   75   1HD   ARG 264          1HD       ARG 264  13.820  -8.743  -1.335
   76   2HD   ARG 264          2HD       ARG 264  14.241  -8.943   0.365
   77    HE   ARG 264           HE       ARG 264  12.412 -10.943  -0.351
   78   1HH1  ARG 264          1HH1      ARG 264  15.704  -9.986  -0.983
   79   2HH1  ARG 264          2HH1      ARG 264  16.248 -11.600  -1.293
   80   1HH2  ARG 264          1HH2      ARG 264  13.123 -13.069  -0.756
   81   2HH2  ARG 264          2HH2      ARG 264  14.782 -13.351  -1.165
   82    H    LYS 265           H        LYS 265  10.325  -7.167   1.686
   83    HA   LYS 265           HA       LYS 265   9.365  -9.326   3.204
   84   1HB   LYS 265          1HB       LYS 265   9.638  -6.399   3.930
   85   2HB   LYS 265          2HB       LYS 265   9.290  -7.671   5.093
   86   1HG   LYS 265          1HG       LYS 265  11.421  -8.724   4.625
   87   2HG   LYS 265          2HG       LYS 265  11.767  -7.517   3.386
   88   1HD   LYS 265          1HD       LYS 265  12.943  -6.988   5.450
   89   2HD   LYS 265          2HD       LYS 265  11.727  -5.759   5.099
   90   1HE   LYS 265          1HE       LYS 265  11.734  -6.356   7.469
   91   2HE   LYS 265          2HE       LYS 265  10.207  -6.791   6.702
   92   1HZ   LYS 265          1HZ       LYS 265  12.442  -8.673   7.238
   93   2HZ   LYS 265          2HZ       LYS 265  10.940  -9.073   6.570
   94   3HZ   LYS 265          3HZ       LYS 265  11.037  -8.539   8.172
   95    H    ALA 266           H        ALA 266   7.892  -6.322   2.123
   96    HA   ALA 266           HA       ALA 266   5.357  -6.687   3.324
   97   1HB   ALA 266          1HB       ALA 266   5.139  -5.208   0.879
   98   2HB   ALA 266          2HB       ALA 266   6.618  -4.731   1.711
   99   3HB   ALA 266          3HB       ALA 266   5.065  -4.618   2.539
  100    H    ILE 267           H        ILE 267   6.852  -7.785   0.370
  101    HA   ILE 267           HA       ILE 267   4.554  -8.630  -1.002
  102    HB   ILE 267           HB       ILE 267   7.376  -9.670  -1.187
  103   1HG1  ILE 267          1HG1      ILE 267   7.191  -7.308  -1.760
  104   2HG1  ILE 267          2HG1      ILE 267   7.479  -8.256  -3.214
  105   1HG2  ILE 267          1HG2      ILE 267   5.046 -10.103  -3.053
  106   2HG2  ILE 267          2HG2      ILE 267   5.812 -11.325  -2.038
  107   3HG2  ILE 267          3HG2      ILE 267   6.713 -10.588  -3.362
  108   1HD1  ILE 267          1HD1      ILE 267   5.300  -6.492  -2.570
  109   2HD1  ILE 267          2HD1      ILE 267   4.712  -8.096  -3.008
  110   3HD1  ILE 267          3HD1      ILE 267   5.753  -7.206  -4.118
  111    H    GLU 268           H        GLU 268   6.758 -10.355   1.175
  112    HA   GLU 268           HA       GLU 268   5.481 -12.863   0.992
  113   1HB   GLU 268          1HB       GLU 268   7.759 -12.614   1.854
  114   2HB   GLU 268          2HB       GLU 268   7.148 -11.718   3.237
  115   1HG   GLU 268          1HG       GLU 268   5.927 -13.691   3.986
  116   2HG   GLU 268          2HG       GLU 268   6.522 -14.590   2.593
  117    H    LEU 269           H        LEU 269   5.123 -10.174   3.276
  118    HA   LEU 269           HA       LEU 269   3.328 -11.389   5.039
  119   1HB   LEU 269          1HB       LEU 269   3.459  -8.477   4.253
  120   2HB   LEU 269          2HB       LEU 269   2.680  -9.117   5.686
  121    HG   LEU 269           HG       LEU 269   5.641  -9.208   5.102
  122   1HD1  LEU 269          1HD1      LEU 269   5.540  -7.752   7.271
  123   2HD1  LEU 269          2HD1      LEU 269   3.903  -7.402   6.714
  124   3HD1  LEU 269          3HD1      LEU 269   5.285  -7.019   5.687
  125   1HD2  LEU 269          1HD2      LEU 269   4.332  -9.906   7.706
  126   2HD2  LEU 269          2HD2      LEU 269   5.960 -10.283   7.143
  127   3HD2  LEU 269          3HD2      LEU 269   4.571 -11.120   6.450
  128    H    SER 270           H        SER 270   2.705  -9.493   2.102
  129    HA   SER 270           HA       SER 270  -0.103  -9.523   2.285
  130   1HB   SER 270          1HB       SER 270  -0.078  -8.902  -0.097
  131   2HB   SER 270          2HB       SER 270   1.107  -7.970   0.818
  132    HG   SER 270           HG       SER 270   1.778 -10.346  -0.563
  133    H    LEU 271           H        LEU 271   2.167 -11.703   0.641
  134    HA   LEU 271           HA       LEU 271   0.268 -13.311  -0.641
  135   1HB   LEU 271          1HB       LEU 271   3.016 -14.016   0.387
  136   2HB   LEU 271          2HB       LEU 271   2.061 -15.046  -0.662
  137    HG   LEU 271           HG       LEU 271   3.097 -12.298  -1.364
  138   1HD1  LEU 271          1HD1      LEU 271   4.485 -13.562  -2.989
  139   2HD1  LEU 271          2HD1      LEU 271   3.954 -15.056  -2.218
  140   3HD1  LEU 271          3HD1      LEU 271   4.897 -13.879  -1.304
  141   1HD2  LEU 271          1HD2      LEU 271   1.464 -14.290  -2.925
  142   2HD2  LEU 271          2HD2      LEU 271   2.328 -12.940  -3.661
  143   3HD2  LEU 271          3HD2      LEU 271   1.032 -12.632  -2.505
  144    H    LYS 272           H        LYS 272   1.744 -13.629   2.577
  145    HA   LYS 272           HA       LYS 272   0.572 -16.074   3.273
  146   1HB   LYS 272          1HB       LYS 272   1.361 -13.757   5.047
  147   2HB   LYS 272          2HB       LYS 272   0.949 -15.364   5.628
  148   1HG   LYS 272          1HG       LYS 272   3.258 -14.679   3.820
  149   2HG   LYS 272          2HG       LYS 272   3.356 -15.045   5.544
  150   1HD   LYS 272          1HD       LYS 272   2.409 -17.289   5.072
  151   2HD   LYS 272          2HD       LYS 272   2.457 -16.911   3.349
  152   1HE   LYS 272          1HE       LYS 272   4.396 -18.223   3.957
  153   2HE   LYS 272          2HE       LYS 272   4.892 -16.591   3.511
  154   1HZ   LYS 272          1HZ       LYS 272   5.414 -16.063   5.669
  155   2HZ   LYS 272          2HZ       LYS 272   5.850 -17.697   5.632
  156   3HZ   LYS 272          3HZ       LYS 272   4.385 -17.228   6.336
  157    H    GLU 273           H        GLU 273  -0.593 -12.755   3.705
  158    HA   GLU 273           HA       GLU 273  -2.927 -13.399   5.142
  159   1HB   GLU 273          1HB       GLU 273  -2.017 -11.122   5.020
  160   2HB   GLU 273          2HB       GLU 273  -2.394 -11.056   3.304
  161   1HG   GLU 273          1HG       GLU 273  -4.774 -11.247   3.818
  162   2HG   GLU 273          2HG       GLU 273  -4.396 -11.311   5.539
  163    H    SER 274           H        SER 274  -2.363 -12.906   1.678
  164    HA   SER 274           HA       SER 274  -5.072 -13.516   0.958
  165   1HB   SER 274          1HB       SER 274  -4.243 -13.372  -1.365
  166   2HB   SER 274          2HB       SER 274  -3.741 -11.979  -0.407
  167    HG   SER 274           HG       SER 274  -2.012 -12.805  -1.633
  168    H    ARG 275           H        ARG 275  -4.941 -15.613   2.242
  169    HA   ARG 275           HA       ARG 275  -3.480 -17.796   1.106
  170   1HB   ARG 275          1HB       ARG 275  -5.773 -17.790   3.075
  171   2HB   ARG 275          2HB       ARG 275  -4.776 -19.185   2.684
  172   1HG   ARG 275          1HG       ARG 275  -2.814 -18.042   3.568
  173   2HG   ARG 275          2HG       ARG 275  -3.804 -16.631   3.947
  174   1HD   ARG 275          1HD       ARG 275  -5.146 -17.982   5.479
  175   2HD   ARG 275          2HD       ARG 275  -4.167 -19.397   5.094
  176    HE   ARG 275           HE       ARG 275  -2.465 -17.367   5.989
  177   1HH1  ARG 275          1HH1      ARG 275  -4.990 -19.435   7.208
  178   2HH1  ARG 275          2HH1      ARG 275  -4.375 -19.449   8.827
  179   1HH2  ARG 275          1HH2      ARG 275  -1.647 -17.379   8.118
  180   2HH2  ARG 275          2HH2      ARG 275  -2.475 -18.279   9.345
  181    H    ASN 276           H        ASN 276  -5.169 -16.434  -0.802
  182    HA   ASN 276           HA       ASN 276  -7.425 -18.158  -1.318
  183   1HB   ASN 276          1HB       ASN 276  -7.741 -16.751  -3.324
  184   2HB   ASN 276          2HB       ASN 276  -7.591 -15.785  -1.858
  185   1HD2  ASN 276          1HD2      ASN 276  -6.683 -15.975  -4.983
  186   2HD2  ASN 276          2HD2      ASN 276  -5.222 -15.055  -4.928
  187    H    SER 277           H        SER 277  -5.169 -19.700  -1.203
  188    HA   SER 277           HA       SER 277  -3.984 -21.293  -2.311
  189   1HB   SER 277          1HB       SER 277  -6.094 -20.832  -4.435
  190   2HB   SER 277          2HB       SER 277  -4.996 -22.211  -4.373
  191    HG   SER 277           HG       SER 277  -6.831 -22.890  -3.389
  192    H    ALA 278           H        ALA 278  -3.027 -18.658  -2.515
  193    HA   ALA 278           HA       ALA 278  -2.323 -17.983  -5.185
  194   1HB   ALA 278          1HB       ALA 278  -1.792 -16.953  -2.510
  195   2HB   ALA 278          2HB       ALA 278  -2.010 -16.093  -4.034
  196   3HB   ALA 278          3HB       ALA 278  -0.432 -16.761  -3.616
  197   1H    MET   1          1H        MET   1 -16.241   3.049   3.803
  198   2H    MET   1          2H        MET   1 -17.079   1.855   2.947
  199   3H    MET   1          3H        MET   1 -16.323   3.118   2.114
  200    HA   MET   1           HA       MET   1 -15.253   0.638   3.012
  201   1HB   MET   1          1HB       MET   1 -14.282   2.872   1.221
  202   2HB   MET   1          2HB       MET   1 -13.472   1.321   1.388
  203   1HG   MET   1          1HG       MET   1 -16.268   1.751   0.363
  204   2HG   MET   1          2HG       MET   1 -14.845   1.397  -0.614
  205   1HE   MET   1          1HE       MET   1 -13.652  -1.338  -0.526
  206   2HE   MET   1          2HE       MET   1 -13.870  -2.075   1.061
  207   3HE   MET   1          3HE       MET   1 -13.258  -0.427   0.932
  208    H    GLN   2           H        GLN   2 -13.481   0.208   4.230
  209    HA   GLN   2           HA       GLN   2 -11.987   2.455   5.379
  210   1HB   GLN   2          1HB       GLN   2 -13.748   1.817   6.991
  211   2HB   GLN   2          2HB       GLN   2 -13.137   0.170   6.993
  212   1HG   GLN   2          1HG       GLN   2 -11.020   0.952   7.920
  213   2HG   GLN   2          2HG       GLN   2 -11.628   2.607   7.909
  214   1HE2  GLN   2          1HE2      GLN   2 -12.350   3.294   9.781
  215   2HE2  GLN   2          2HE2      GLN   2 -13.037   2.323  11.033
  216    H    ILE   3           H        ILE   3  -9.844   2.078   5.638
  217    HA   ILE   3           HA       ILE   3  -8.802  -0.640   5.497
  218    HB   ILE   3           HB       ILE   3  -7.193  -0.040   3.703
  219   1HG1  ILE   3          1HG1      ILE   3  -8.967   2.392   3.380
  220   2HG1  ILE   3          2HG1      ILE   3  -7.305   2.404   3.959
  221   1HG2  ILE   3          1HG2      ILE   3  -8.748  -1.306   2.689
  222   2HG2  ILE   3          2HG2      ILE   3  -9.217   0.211   1.921
  223   3HG2  ILE   3          3HG2      ILE   3 -10.090  -0.365   3.340
  224   1HD1  ILE   3          1HD1      ILE   3  -7.873   1.226   1.291
  225   2HD1  ILE   3          2HD1      ILE   3  -6.436   2.064   1.877
  226   3HD1  ILE   3          3HD1      ILE   3  -7.888   2.979   1.473
  227    H    PHE   4           H        PHE   4  -6.827  -0.886   6.491
  228    HA   PHE   4           HA       PHE   4  -5.831   1.495   7.888
  229   1HB   PHE   4          1HB       PHE   4  -5.781  -1.420   8.486
  230   2HB   PHE   4          2HB       PHE   4  -4.442  -0.443   9.078
  231    HD1  PHE   4           HD1      PHE   4  -8.008  -1.166   9.384
  232    HD2  PHE   4           HD2      PHE   4  -4.791   1.266  10.748
  233    HE1  PHE   4           HE1      PHE   4  -9.360  -0.463  11.317
  234    HE2  PHE   4           HE2      PHE   4  -6.132   1.972  12.681
  235    HZ   PHE   4           HZ       PHE   4  -8.422   1.104  12.970
  236    H    VAL   5           H        VAL   5  -3.958   2.404   7.409
  237    HA   VAL   5           HA       VAL   5  -2.289   1.224   5.348
  238    HB   VAL   5           HB       VAL   5  -2.034   3.883   6.770
  239   1HG1  VAL   5          1HG1      VAL   5  -0.691   4.186   4.454
  240   2HG1  VAL   5          2HG1      VAL   5  -0.359   2.487   4.786
  241   3HG1  VAL   5          3HG1      VAL   5   0.073   3.718   5.973
  242   1HG2  VAL   5          1HG2      VAL   5  -3.345   3.047   4.205
  243   2HG2  VAL   5          2HG2      VAL   5  -2.760   4.696   4.436
  244   3HG2  VAL   5          3HG2      VAL   5  -3.993   4.038   5.513
  245    H    LYS   6           H        LYS   6  -0.345   0.315   5.673
  246    HA   LYS   6           HA       LYS   6   0.761   0.339   8.407
  247   1HB   LYS   6          1HB       LYS   6   0.560  -1.917   6.417
  248   2HB   LYS   6          2HB       LYS   6   1.649  -1.972   7.795
  249   1HG   LYS   6          1HG       LYS   6  -1.321  -1.574   8.032
  250   2HG   LYS   6          2HG       LYS   6  -0.525  -3.147   8.117
  251   1HD   LYS   6          1HD       LYS   6   0.010  -0.805   9.943
  252   2HD   LYS   6          2HD       LYS   6  -0.966  -2.218  10.347
  253   1HE   LYS   6          1HE       LYS   6   0.988  -3.655  10.057
  254   2HE   LYS   6          2HE       LYS   6   1.965  -2.250   9.631
  255   1HZ   LYS   6          1HZ       LYS   6   2.087  -3.085  12.012
  256   2HZ   LYS   6          2HZ       LYS   6   0.546  -2.419  12.219
  257   3HZ   LYS   6          3HZ       LYS   6   1.846  -1.425  11.793
  258    H    THR   7           H        THR   7   2.845   0.893   8.625
  259    HA   THR   7           HA       THR   7   4.485   1.037   6.170
  260    HB   THR   7           HB       THR   7   5.678   2.949   7.121
  261    HG1  THR   7           HG1      THR   7   4.802   3.922   9.039
  262   1HG2  THR   7          1HG2      THR   7   3.637   3.284   5.714
  263   2HG2  THR   7          2HG2      THR   7   3.976   4.614   6.822
  264   3HG2  THR   7          3HG2      THR   7   2.704   3.454   7.203
  265    H    LEU   8           H        LEU   8   6.783   0.724   6.452
  266    HA   LEU   8           HA       LEU   8   7.361  -1.417   8.262
  267   1HB   LEU   8          1HB       LEU   8   9.009   0.089   6.252
  268   2HB   LEU   8          2HB       LEU   8   9.717  -1.124   7.300
  269    HG   LEU   8           HG       LEU   8   9.226  -2.081   5.134
  270   1HD1  LEU   8          1HD1      LEU   8   9.049  -3.631   6.911
  271   2HD1  LEU   8          2HD1      LEU   8   7.661  -3.915   5.861
  272   3HD1  LEU   8          3HD1      LEU   8   7.456  -3.029   7.372
  273   1HD2  LEU   8          1HD2      LEU   8   6.373  -1.266   5.657
  274   2HD2  LEU   8          2HD2      LEU   8   6.921  -2.275   4.319
  275   3HD2  LEU   8          3HD2      LEU   8   7.445  -0.595   4.429
  276    H    THR   9           H        THR   9   6.651   0.766   9.774
  277    HA   THR   9           HA       THR   9   9.049   1.131  11.369
  278    HB   THR   9           HB       THR   9   8.653   3.568  11.638
  279    HG1  THR   9           HG1      THR   9   7.017   3.405   9.324
  280   1HG2  THR   9          1HG2      THR   9   9.920   4.191   9.811
  281   2HG2  THR   9          2HG2      THR   9   9.045   3.129   8.708
  282   3HG2  THR   9          3HG2      THR   9  10.206   2.451   9.849
  283    H    GLY  10           H        GLY  10   6.589  -0.361  11.652
  284   1HA   GLY  10          1HA       GLY  10   4.996  -0.821  13.236
  285   2HA   GLY  10          2HA       GLY  10   5.978   0.151  14.321
  286    H    LYS  11           H        LYS  11   4.052   0.981  11.429
  287    HA   LYS  11           HA       LYS  11   2.457   2.765  13.141
  288   1HB   LYS  11          1HB       LYS  11   4.195   4.017  11.825
  289   2HB   LYS  11          2HB       LYS  11   3.391   3.474  10.360
  290   1HG   LYS  11          1HG       LYS  11   2.717   5.729  10.910
  291   2HG   LYS  11          2HG       LYS  11   1.346   4.629  11.054
  292   1HD   LYS  11          1HD       LYS  11   1.685   4.549  13.484
  293   2HD   LYS  11          2HD       LYS  11   3.041   5.666  13.323
  294   1HE   LYS  11          1HE       LYS  11   0.171   6.238  12.592
  295   2HE   LYS  11          2HE       LYS  11   1.013   6.831  14.023
  296   1HZ   LYS  11          1HZ       LYS  11   0.979   8.527  12.344
  297   2HZ   LYS  11          2HZ       LYS  11   1.662   7.485  11.200
  298   3HZ   LYS  11          3HZ       LYS  11   2.571   7.986  12.536
  299    H    THR  12           H        THR  12   0.331   2.793  12.798
  300    HA   THR  12           HA       THR  12  -0.812   1.593  10.382
  301    HB   THR  12           HB       THR  12  -1.778   0.787  13.129
  302    HG1  THR  12           HG1      THR  12   0.150  -0.229  13.037
  303   1HG2  THR  12          1HG2      THR  12  -3.480  -0.085  11.989
  304   2HG2  THR  12          2HG2      THR  12  -2.346  -1.129  11.132
  305   3HG2  THR  12          3HG2      THR  12  -2.768   0.449  10.467
  306    H    ILE  13           H        ILE  13  -2.625   2.695   9.709
  307    HA   ILE  13           HA       ILE  13  -4.108   4.284  11.669
  308    HB   ILE  13           HB       ILE  13  -2.685   5.491   9.311
  309   1HG1  ILE  13          1HG1      ILE  13  -2.746   6.161  12.261
  310   2HG1  ILE  13          2HG1      ILE  13  -1.424   5.375  11.404
  311   1HG2  ILE  13          1HG2      ILE  13  -4.828   6.417   9.098
  312   2HG2  ILE  13          2HG2      ILE  13  -3.915   7.615  10.017
  313   3HG2  ILE  13          3HG2      ILE  13  -5.043   6.542  10.845
  314   1HD1  ILE  13          1HD1      ILE  13  -1.989   7.788  10.060
  315   2HD1  ILE  13          2HD1      ILE  13  -0.551   7.351  10.982
  316   3HD1  ILE  13          3HD1      ILE  13  -1.909   8.138  11.786
  317    H    THR  14           H        THR  14  -6.201   4.670  11.199
  318    HA   THR  14           HA       THR  14  -7.492   3.068   9.238
  319    HB   THR  14           HB       THR  14  -8.666   5.389  10.787
  320    HG1  THR  14           HG1      THR  14  -8.756   4.100  12.471
  321   1HG2  THR  14          1HG2      THR  14 -10.680   3.652  10.520
  322   2HG2  THR  14          2HG2      THR  14  -9.779   3.257   9.056
  323   3HG2  THR  14          3HG2      THR  14 -10.342   4.906   9.327
  324    H    LEU  15           H        LEU  15  -8.543   3.690   7.330
  325    HA   LEU  15           HA       LEU  15  -8.343   6.466   6.473
  326   1HB   LEU  15          1HB       LEU  15  -6.261   5.050   5.790
  327   2HB   LEU  15          2HB       LEU  15  -7.344   4.344   4.605
  328    HG   LEU  15           HG       LEU  15  -6.570   7.257   4.811
  329   1HD1  LEU  15          1HD1      LEU  15  -5.763   6.607   2.411
  330   2HD1  LEU  15          2HD1      LEU  15  -5.722   4.981   3.093
  331   3HD1  LEU  15          3HD1      LEU  15  -4.760   6.267   3.821
  332   1HD2  LEU  15          1HD2      LEU  15  -7.769   7.227   2.494
  333   2HD2  LEU  15          2HD2      LEU  15  -8.706   7.422   3.975
  334   3HD2  LEU  15          3HD2      LEU  15  -8.633   5.850   3.179
  335    H    GLU  16           H        GLU  16 -10.295   6.976   5.808
  336    HA   GLU  16           HA       GLU  16 -12.114   4.917   4.864
  337   1HB   GLU  16          1HB       GLU  16 -12.910   6.545   6.516
  338   2HB   GLU  16          2HB       GLU  16 -12.583   7.850   5.398
  339   1HG   GLU  16          1HG       GLU  16 -14.240   6.972   3.873
  340   2HG   GLU  16          2HG       GLU  16 -14.559   5.654   4.984
  341    H    VAL  17           H        VAL  17 -12.823   4.677   2.837
  342    HA   VAL  17           HA       VAL  17 -12.396   6.756   0.847
  343    HB   VAL  17           HB       VAL  17 -11.356   5.141  -0.758
  344   1HG1  VAL  17          1HG1      VAL  17  -9.801   5.797   1.740
  345   2HG1  VAL  17          2HG1      VAL  17  -9.963   6.793   0.293
  346   3HG1  VAL  17          3HG1      VAL  17  -9.080   5.268   0.219
  347   1HG2  VAL  17          1HG2      VAL  17 -10.720   3.033  -0.202
  348   2HG2  VAL  17          2HG2      VAL  17 -12.075   3.194   0.914
  349   3HG2  VAL  17          3HG2      VAL  17 -10.427   3.447   1.487
  350    H    GLU  18           H        GLU  18 -12.837   4.976  -1.373
  351    HA   GLU  18           HA       GLU  18 -15.378   3.665  -0.875
  352   1HB   GLU  18          1HB       GLU  18 -15.148   6.013  -2.769
  353   2HB   GLU  18          2HB       GLU  18 -16.536   4.940  -2.663
  354   1HG   GLU  18          1HG       GLU  18 -16.915   5.652  -0.362
  355   2HG   GLU  18          2HG       GLU  18 -15.518   6.722  -0.461
  356    H    SER  19           H        SER  19 -15.882   2.129  -2.406
  357    HA   SER  19           HA       SER  19 -13.861   0.876  -3.783
  358   1HB   SER  19          1HB       SER  19 -15.639  -0.330  -5.011
  359   2HB   SER  19          2HB       SER  19 -15.987  -0.216  -3.286
  360    HG   SER  19           HG       SER  19 -16.970   1.823  -4.896
  361    H    SER  20           H        SER  20 -16.063   3.376  -4.929
  362    HA   SER  20           HA       SER  20 -15.367   3.272  -7.656
  363   1HB   SER  20          1HB       SER  20 -17.379   4.421  -6.865
  364   2HB   SER  20          2HB       SER  20 -16.384   5.611  -6.026
  365    HG   SER  20           HG       SER  20 -15.874   5.255  -8.731
  366    H    ASP  21           H        ASP  21 -14.087   5.225  -4.979
  367    HA   ASP  21           HA       ASP  21 -12.362   6.843  -6.445
  368   1HB   ASP  21          1HB       ASP  21 -12.080   5.796  -3.625
  369   2HB   ASP  21          2HB       ASP  21 -11.064   7.057  -4.315
  370    H    THR  22           H        THR  22 -10.444   6.587  -7.380
  371    HA   THR  22           HA       THR  22  -9.369   3.939  -7.687
  372    HB   THR  22           HB       THR  22  -7.728   4.989  -9.184
  373    HG1  THR  22           HG1      THR  22  -7.368   7.075  -9.095
  374   1HG2  THR  22          1HG2      THR  22 -10.466   4.794  -9.578
  375   2HG2  THR  22          2HG2      THR  22  -9.241   5.000 -10.830
  376   3HG2  THR  22          3HG2      THR  22 -10.064   6.409 -10.161
  377    H    ILE  23           H        ILE  23  -7.014   3.513  -7.434
  378    HA   ILE  23           HA       ILE  23  -6.158   3.766  -4.819
  379    HB   ILE  23           HB       ILE  23  -4.452   3.399  -7.285
  380   1HG1  ILE  23          1HG1      ILE  23  -6.176   1.667  -6.976
  381   2HG1  ILE  23          2HG1      ILE  23  -4.558   1.016  -6.741
  382   1HG2  ILE  23          1HG2      ILE  23  -2.638   2.861  -5.974
  383   2HG2  ILE  23          2HG2      ILE  23  -3.630   2.491  -4.564
  384   3HG2  ILE  23          3HG2      ILE  23  -3.365   4.168  -5.040
  385   1HD1  ILE  23          1HD1      ILE  23  -5.850   0.072  -5.044
  386   2HD1  ILE  23          2HD1      ILE  23  -6.657   1.598  -4.687
  387   3HD1  ILE  23          3HD1      ILE  23  -4.962   1.374  -4.253
  388    H    ASP  24           H        ASP  24  -5.503   5.859  -7.584
  389    HA   ASP  24           HA       ASP  24  -3.526   7.484  -6.485
  390   1HB   ASP  24          1HB       ASP  24  -4.242   7.554  -8.860
  391   2HB   ASP  24          2HB       ASP  24  -5.746   8.323  -8.367
  392    H    ASN  25           H        ASN  25  -7.048   7.686  -6.248
  393    HA   ASN  25           HA       ASN  25  -7.243  10.110  -4.869
  394   1HB   ASN  25          1HB       ASN  25  -9.197   8.992  -5.823
  395   2HB   ASN  25          2HB       ASN  25  -9.008   7.655  -4.693
  396   1HD2  ASN  25          1HD2      ASN  25 -10.711  10.369  -5.297
  397   2HD2  ASN  25          2HD2      ASN  25 -11.233  10.757  -3.697
  398    H    VAL  26           H        VAL  26  -6.936   6.785  -3.662
  399    HA   VAL  26           HA       VAL  26  -7.021   7.324  -0.929
  400    HB   VAL  26           HB       VAL  26  -5.386   5.196  -2.325
  401   1HG1  VAL  26          1HG1      VAL  26  -5.158   5.892   0.265
  402   2HG1  VAL  26          2HG1      VAL  26  -4.944   4.244  -0.326
  403   3HG1  VAL  26          3HG1      VAL  26  -6.487   4.738   0.371
  404   1HG2  VAL  26          1HG2      VAL  26  -8.264   5.364  -1.536
  405   2HG2  VAL  26          2HG2      VAL  26  -7.442   3.804  -1.541
  406   3HG2  VAL  26          3HG2      VAL  26  -7.542   4.753  -3.024
  407    H    LYS  27           H        LYS  27  -4.363   7.448  -3.239
  408    HA   LYS  27           HA       LYS  27  -2.266   7.888  -1.427
  409   1HB   LYS  27          1HB       LYS  27  -2.590   8.792  -4.293
  410   2HB   LYS  27          2HB       LYS  27  -1.092   8.919  -3.382
  411   1HG   LYS  27          1HG       LYS  27  -2.533   6.355  -4.027
  412   2HG   LYS  27          2HG       LYS  27  -1.105   6.975  -4.858
  413   1HD   LYS  27          1HD       LYS  27   0.151   6.866  -2.746
  414   2HD   LYS  27          2HD       LYS  27  -1.275   6.206  -1.943
  415   1HE   LYS  27          1HE       LYS  27   0.273   4.428  -2.536
  416   2HE   LYS  27          2HE       LYS  27  -1.224   4.279  -3.455
  417   1HZ   LYS  27          1HZ       LYS  27   0.484   5.855  -4.964
  418   2HZ   LYS  27          2HZ       LYS  27  -0.001   4.267  -5.285
  419   3HZ   LYS  27          3HZ       LYS  27   1.417   4.557  -4.410
  420    H    SER  28           H        SER  28  -4.494  10.097  -3.047
  421    HA   SER  28           HA       SER  28  -3.326  12.512  -2.237
  422   1HB   SER  28          1HB       SER  28  -6.255  11.889  -2.709
  423   2HB   SER  28          2HB       SER  28  -5.557  13.506  -2.626
  424    HG   SER  28           HG       SER  28  -5.359  11.575  -4.629
  425    H    LYS  29           H        LYS  29  -5.771  10.465  -0.685
  426    HA   LYS  29           HA       LYS  29  -6.226  12.111   1.556
  427   1HB   LYS  29          1HB       LYS  29  -6.541   9.144   1.130
  428   2HB   LYS  29          2HB       LYS  29  -6.964   9.923   2.646
  429   1HG   LYS  29          1HG       LYS  29  -8.576  11.339   1.455
  430   2HG   LYS  29          2HG       LYS  29  -8.168  10.511  -0.050
  431   1HD   LYS  29          1HD       LYS  29  -8.999   8.431   0.790
  432   2HD   LYS  29          2HD       LYS  29  -9.204   9.106   2.407
  433   1HE   LYS  29          1HE       LYS  29 -11.345   8.944   1.267
  434   2HE   LYS  29          2HE       LYS  29 -10.917  10.630   1.546
  435   1HZ   LYS  29          1HZ       LYS  29 -10.928   9.124  -0.988
  436   2HZ   LYS  29          2HZ       LYS  29  -9.981  10.516  -0.821
  437   3HZ   LYS  29          3HZ       LYS  29 -11.659  10.607  -0.629
  438    H    ILE  30           H        ILE  30  -4.000   9.383   1.066
  439    HA   ILE  30           HA       ILE  30  -2.921   9.318   3.648
  440    HB   ILE  30           HB       ILE  30  -1.554   8.601   1.045
  441   1HG1  ILE  30          1HG1      ILE  30  -3.061   6.879   3.031
  442   2HG1  ILE  30          2HG1      ILE  30  -3.657   7.368   1.448
  443   1HG2  ILE  30          1HG2      ILE  30   0.187   8.741   2.568
  444   2HG2  ILE  30          2HG2      ILE  30  -0.286   7.047   2.692
  445   3HG2  ILE  30          3HG2      ILE  30  -0.812   8.201   3.917
  446   1HD1  ILE  30          1HD1      ILE  30  -2.899   5.263   1.000
  447   2HD1  ILE  30          2HD1      ILE  30  -1.574   5.372   2.159
  448   3HD1  ILE  30          3HD1      ILE  30  -1.463   6.210   0.611
  449    H    GLN  31           H        GLN  31  -2.002  11.183   0.793
  450    HA   GLN  31           HA       GLN  31   0.360  12.301   1.811
  451   1HB   GLN  31          1HB       GLN  31  -0.249  12.386  -0.568
  452   2HB   GLN  31          2HB       GLN  31  -1.585  13.466  -0.192
  453   1HG   GLN  31          1HG       GLN  31   0.001  15.151   0.596
  454   2HG   GLN  31          2HG       GLN  31   1.337  14.067   0.211
  455   1HE2  GLN  31          1HE2      GLN  31  -0.947  13.538  -2.085
  456   2HE2  GLN  31          2HE2      GLN  31  -0.398  14.635  -3.299
  457    H    ASP  32           H        ASP  32  -2.999  13.433   1.912
  458    HA   ASP  32           HA       ASP  32  -2.496  15.892   3.176
  459   1HB   ASP  32          1HB       ASP  32  -4.634  15.362   2.088
  460   2HB   ASP  32          2HB       ASP  32  -4.967  14.150   3.321
  461    H    LYS  33           H        LYS  33  -3.110  12.668   4.468
  462    HA   LYS  33           HA       LYS  33  -3.241  13.488   7.195
  463   1HB   LYS  33          1HB       LYS  33  -2.679  10.747   6.056
  464   2HB   LYS  33          2HB       LYS  33  -3.182  11.103   7.701
  465   1HG   LYS  33          1HG       LYS  33  -4.825  11.672   5.244
  466   2HG   LYS  33          2HG       LYS  33  -5.006  10.254   6.276
  467   1HD   LYS  33          1HD       LYS  33  -5.558  11.689   8.168
  468   2HD   LYS  33          2HD       LYS  33  -5.340  13.120   7.158
  469   1HE   LYS  33          1HE       LYS  33  -7.383  10.944   6.721
  470   2HE   LYS  33          2HE       LYS  33  -7.707  12.537   7.406
  471   1HZ   LYS  33          1HZ       LYS  33  -6.768  11.951   4.651
  472   2HZ   LYS  33          2HZ       LYS  33  -6.922  13.507   5.295
  473   3HZ   LYS  33          3HZ       LYS  33  -8.292  12.535   5.099
  474    H    GLU  34           H        GLU  34  -0.839  11.315   5.709
  475    HA   GLU  34           HA       GLU  34   1.069  11.830   7.773
  476   1HB   GLU  34          1HB       GLU  34   1.332  10.318   5.175
  477   2HB   GLU  34          2HB       GLU  34   2.534  10.329   6.457
  478   1HG   GLU  34          1HG       GLU  34  -0.292   9.343   6.766
  479   2HG   GLU  34          2HG       GLU  34   1.106   8.317   6.449
  480    H    GLY  35           H        GLY  35   0.772  12.840   4.389
  481   1HA   GLY  35          1HA       GLY  35   1.682  14.845   3.527
  482   2HA   GLY  35          2HA       GLY  35   2.779  14.911   4.902
  483    H    ILE  36           H        ILE  36   2.230  12.082   2.922
  484    HA   ILE  36           HA       ILE  36   5.039  12.182   2.053
  485    HB   ILE  36           HB       ILE  36   3.164   9.819   2.256
  486   1HG1  ILE  36          1HG1      ILE  36   5.576  10.567   3.925
  487   2HG1  ILE  36          2HG1      ILE  36   3.898  10.705   4.439
  488   1HG2  ILE  36          1HG2      ILE  36   5.040   8.431   1.681
  489   2HG2  ILE  36          2HG2      ILE  36   6.109   9.832   1.613
  490   3HG2  ILE  36          3HG2      ILE  36   4.822   9.645   0.421
  491   1HD1  ILE  36          1HD1      ILE  36   3.669   8.257   4.192
  492   2HD1  ILE  36          2HD1      ILE  36   4.867   8.735   5.396
  493   3HD1  ILE  36          3HD1      ILE  36   5.388   8.170   3.808
  494    HA   PRO  37           HA       PRO  37   3.739  12.982  -2.125
  495   1HB   PRO  37          1HB       PRO  37   6.056  11.303  -2.893
  496   2HB   PRO  37          2HB       PRO  37   5.674  12.967  -3.344
  497   1HG   PRO  37          1HG       PRO  37   7.618  12.384  -1.590
  498   2HG   PRO  37          2HG       PRO  37   6.620  13.843  -1.436
  499   1HD   PRO  37          1HD       PRO  37   6.524  11.302   0.113
  500   2HD   PRO  37          2HD       PRO  37   6.184  12.962   0.640
  501    HA   PRO  38           HA       PRO  38   1.359   9.311  -3.012
  502   1HB   PRO  38          1HB       PRO  38   1.193  10.490  -5.732
  503   2HB   PRO  38          2HB       PRO  38  -0.103   9.988  -4.642
  504   1HG   PRO  38          1HG       PRO  38   0.425  12.570  -5.036
  505   2HG   PRO  38          2HG       PRO  38  -0.033  11.964  -3.433
  506   1HD   PRO  38          1HD       PRO  38   2.668  12.717  -4.476
  507   2HD   PRO  38          2HD       PRO  38   1.963  12.989  -2.869
  508    H    ASP  39           H        ASP  39   3.631  10.466  -5.503
  509    HA   ASP  39           HA       ASP  39   3.942   7.941  -6.750
  510   1HB   ASP  39          1HB       ASP  39   4.428  10.031  -7.923
  511   2HB   ASP  39          2HB       ASP  39   5.748  10.367  -6.808
  512    H    GLN  40           H        GLN  40   5.885   9.682  -4.336
  513    HA   GLN  40           HA       GLN  40   8.025   7.894  -4.224
  514   1HB   GLN  40          1HB       GLN  40   6.892   9.707  -2.090
  515   2HB   GLN  40          2HB       GLN  40   8.407   8.829  -1.925
  516   1HG   GLN  40          1HG       GLN  40   7.798  10.863  -4.059
  517   2HG   GLN  40          2HG       GLN  40   8.730  11.165  -2.594
  518   1HE2  GLN  40          1HE2      GLN  40  10.826  11.157  -2.897
  519   2HE2  GLN  40          2HE2      GLN  40  11.691  10.224  -4.066
  520    H    GLN  41           H        GLN  41   5.149   8.012  -2.097
  521    HA   GLN  41           HA       GLN  41   5.862   5.610  -0.741
  522   1HB   GLN  41          1HB       GLN  41   3.671   5.737   0.293
  523   2HB   GLN  41          2HB       GLN  41   4.419   7.326   0.281
  524   1HG   GLN  41          1HG       GLN  41   3.057   7.942  -1.659
  525   2HG   GLN  41          2HG       GLN  41   2.297   6.352  -1.611
  526   1HE2  GLN  41          1HE2      GLN  41   1.885   9.478  -0.777
  527   2HE2  GLN  41          2HE2      GLN  41   0.777   9.295   0.536
  528    H    ARG  42           H        ARG  42   5.178   3.526  -1.035
  529    HA   ARG  42           HA       ARG  42   3.556   2.994  -3.436
  530   1HB   ARG  42          1HB       ARG  42   6.042   1.545  -2.510
  531   2HB   ARG  42          2HB       ARG  42   4.980   0.961  -3.785
  532   1HG   ARG  42          1HG       ARG  42   5.472   2.871  -5.149
  533   2HG   ARG  42          2HG       ARG  42   6.399   3.612  -3.845
  534   1HD   ARG  42          1HD       ARG  42   7.100   0.980  -5.132
  535   2HD   ARG  42          2HD       ARG  42   7.777   2.531  -5.626
  536    HE   ARG  42           HE       ARG  42   8.137   2.150  -2.849
  537   1HH1  ARG  42          1HH1      ARG  42   9.331   1.051  -5.934
  538   2HH1  ARG  42          2HH1      ARG  42  10.902   0.646  -5.327
  539   1HH2  ARG  42          1HH2      ARG  42  10.201   1.617  -2.042
  540   2HH2  ARG  42          2HH2      ARG  42  11.395   0.966  -3.114
  541    H    LEU  43           H        LEU  43   1.786   1.859  -3.040
  542    HA   LEU  43           HA       LEU  43   1.525   0.466  -0.489
  543   1HB   LEU  43          1HB       LEU  43  -0.511   1.173  -2.602
  544   2HB   LEU  43          2HB       LEU  43  -0.885   0.275  -1.144
  545    HG   LEU  43           HG       LEU  43   0.158   3.109  -1.229
  546   1HD1  LEU  43          1HD1      LEU  43  -2.502   2.496  -0.128
  547   2HD1  LEU  43          2HD1      LEU  43  -2.341   2.335  -1.877
  548   3HD1  LEU  43          3HD1      LEU  43  -1.957   3.868  -1.094
  549   1HD2  LEU  43          1HD2      LEU  43  -1.037   2.374   1.250
  550   2HD2  LEU  43          2HD2      LEU  43   0.615   2.902   0.932
  551   3HD2  LEU  43          3HD2      LEU  43   0.207   1.189   0.849
  552    H    ILE  44           H        ILE  44   1.401  -1.687  -0.273
  553    HA   ILE  44           HA       ILE  44   1.390  -3.316  -2.728
  554    HB   ILE  44           HB       ILE  44   2.814  -3.940  -0.137
  555   1HG1  ILE  44          1HG1      ILE  44   3.940  -3.156  -2.836
  556   2HG1  ILE  44          2HG1      ILE  44   3.868  -2.104  -1.426
  557   1HG2  ILE  44          1HG2      ILE  44   3.527  -5.936  -1.072
  558   2HG2  ILE  44          2HG2      ILE  44   3.193  -5.402  -2.719
  559   3HG2  ILE  44          3HG2      ILE  44   1.862  -5.825  -1.642
  560   1HD1  ILE  44          1HD1      ILE  44   6.046  -3.438  -2.065
  561   2HD1  ILE  44          2HD1      ILE  44   5.249  -4.713  -1.142
  562   3HD1  ILE  44          3HD1      ILE  44   5.591  -3.157  -0.385
  563    H    PHE  45           H        PHE  45   0.072  -5.078  -2.799
  564    HA   PHE  45           HA       PHE  45  -1.176  -6.168  -0.460
  565   1HB   PHE  45          1HB       PHE  45  -2.545  -4.137  -0.789
  566   2HB   PHE  45          2HB       PHE  45  -2.908  -4.658  -2.430
  567    HD1  PHE  45           HD1      PHE  45  -2.841  -6.605   0.744
  568    HD2  PHE  45           HD2      PHE  45  -5.176  -5.080  -2.471
  569    HE1  PHE  45           HE1      PHE  45  -4.793  -7.851   1.575
  570    HE2  PHE  45           HE2      PHE  45  -7.132  -6.323  -1.645
  571    HZ   PHE  45           HZ       PHE  45  -6.942  -7.711   0.380
  572    H    ALA  46           H        ALA  46  -2.074  -8.169  -0.831
  573    HA   ALA  46           HA       ALA  46  -2.268 -10.191  -1.861
  574   1HB   ALA  46          1HB       ALA  46  -4.232  -9.507  -2.849
  575   2HB   ALA  46          2HB       ALA  46  -3.280  -9.968  -4.260
  576   3HB   ALA  46          3HB       ALA  46  -3.438  -8.267  -3.820
  577    H    GLY  47           H        GLY  47   0.317  -9.073  -1.941
  578   1HA   GLY  47          1HA       GLY  47   2.355  -9.405  -2.934
  579   2HA   GLY  47          2HA       GLY  47   1.596 -10.747  -3.776
  580    H    LYS  48           H        LYS  48   0.746  -7.320  -4.027
  581    HA   LYS  48           HA       LYS  48   2.132  -6.925  -6.493
  582   1HB   LYS  48          1HB       LYS  48   0.326  -8.346  -7.318
  583   2HB   LYS  48          2HB       LYS  48  -0.868  -7.289  -6.577
  584   1HG   LYS  48          1HG       LYS  48  -0.185  -5.475  -8.059
  585   2HG   LYS  48          2HG       LYS  48   1.014  -6.534  -8.801
  586   1HD   LYS  48          1HD       LYS  48  -0.951  -6.447 -10.201
  587   2HD   LYS  48          2HD       LYS  48  -0.810  -8.056  -9.491
  588   1HE   LYS  48          1HE       LYS  48  -3.114  -7.285  -9.421
  589   2HE   LYS  48          2HE       LYS  48  -2.462  -7.449  -7.792
  590   1HZ   LYS  48          1HZ       LYS  48  -3.508  -5.145  -9.079
  591   2HZ   LYS  48          2HZ       LYS  48  -1.930  -4.855  -8.543
  592   3HZ   LYS  48          3HZ       LYS  48  -3.113  -5.372  -7.450
  593    H    GLN  49           H        GLN  49   2.433  -4.792  -6.830
  594    HA   GLN  49           HA       GLN  49   1.537  -2.927  -4.899
  595   1HB   GLN  49          1HB       GLN  49   2.764  -1.281  -6.102
  596   2HB   GLN  49          2HB       GLN  49   3.685  -2.771  -6.199
  597   1HG   GLN  49          1HG       GLN  49   1.896  -1.709  -8.373
  598   2HG   GLN  49          2HG       GLN  49   3.642  -1.497  -8.307
  599   1HE2  GLN  49          1HE2      GLN  49   4.830  -2.932  -9.337
  600   2HE2  GLN  49          2HE2      GLN  49   4.315  -4.500  -9.847
  601    H    LEU  50           H        LEU  50  -0.131  -1.527  -4.886
  602    HA   LEU  50           HA       LEU  50  -2.331  -1.962  -6.607
  603   1HB   LEU  50          1HB       LEU  50  -1.792   0.370  -4.764
  604   2HB   LEU  50          2HB       LEU  50  -3.346  -0.037  -5.466
  605    HG   LEU  50           HG       LEU  50  -1.812  -1.741  -3.498
  606   1HD1  LEU  50          1HD1      LEU  50  -2.797   0.377  -2.598
  607   2HD1  LEU  50          2HD1      LEU  50  -3.434  -1.102  -1.878
  608   3HD1  LEU  50          3HD1      LEU  50  -4.381  -0.230  -3.083
  609   1HD2  LEU  50          1HD2      LEU  50  -3.038  -3.377  -4.435
  610   2HD2  LEU  50          2HD2      LEU  50  -4.149  -2.244  -5.204
  611   3HD2  LEU  50          3HD2      LEU  50  -4.359  -2.670  -3.506
  612    H    GLU  51           H        GLU  51  -2.782  -1.144  -8.553
  613    HA   GLU  51           HA       GLU  51  -0.954   0.632  -9.844
  614   1HB   GLU  51          1HB       GLU  51  -3.664  -0.345 -10.757
  615   2HB   GLU  51          2HB       GLU  51  -2.473   0.462 -11.768
  616   1HG   GLU  51          1HG       GLU  51  -0.916  -1.395 -11.402
  617   2HG   GLU  51          2HG       GLU  51  -2.135  -2.208 -10.421
  618    H    ASP  52           H        ASP  52  -1.048   2.776 -10.111
  619    HA   ASP  52           HA       ASP  52  -2.893   4.321  -8.605
  620   1HB   ASP  52          1HB       ASP  52  -0.948   5.189 -10.755
  621   2HB   ASP  52          2HB       ASP  52  -1.787   6.267  -9.644
  622    H    GLY  53           H        GLY  53  -4.711   5.375  -9.192
  623   1HA   GLY  53          1HA       GLY  53  -6.435   6.151 -10.506
  624   2HA   GLY  53          2HA       GLY  53  -5.418   5.890 -11.913
  625    H    ARG  54           H        ARG  54  -6.580   3.559  -9.489
  626    HA   ARG  54           HA       ARG  54  -8.207   2.288 -11.573
  627   1HB   ARG  54          1HB       ARG  54  -6.268   0.858  -9.751
  628   2HB   ARG  54          2HB       ARG  54  -7.436   0.062 -10.792
  629   1HG   ARG  54          1HG       ARG  54  -5.182   1.828 -11.726
  630   2HG   ARG  54          2HG       ARG  54  -5.195   0.064 -11.763
  631   1HD   ARG  54          1HD       ARG  54  -7.127   0.113 -13.266
  632   2HD   ARG  54          2HD       ARG  54  -7.111   1.875 -13.229
  633    HE   ARG  54           HE       ARG  54  -4.591   0.965 -14.057
  634   1HH1  ARG  54          1HH1      ARG  54  -7.886   1.112 -15.179
  635   2HH1  ARG  54          2HH1      ARG  54  -7.451   1.146 -16.855
  636   1HH2  ARG  54          1HH2      ARG  54  -4.009   1.006 -16.265
  637   2HH2  ARG  54          2HH2      ARG  54  -5.249   1.080 -17.472
  638    H    THR  55           H        THR  55 -10.158   1.655 -10.909
  639    HA   THR  55           HA       THR  55 -11.198   2.464  -8.441
  640    HB   THR  55           HB       THR  55 -13.210   1.174  -9.031
  641    HG1  THR  55           HG1      THR  55 -12.537  -0.637 -10.040
  642   1HG2  THR  55          1HG2      THR  55 -13.093   2.159 -11.608
  643   2HG2  THR  55          2HG2      THR  55 -11.915   3.144 -10.740
  644   3HG2  THR  55          3HG2      THR  55 -13.583   3.064 -10.175
  645    H    LEU  56           H        LEU  56 -11.528   1.486  -6.527
  646    HA   LEU  56           HA       LEU  56  -9.955  -0.732  -5.791
  647   1HB   LEU  56          1HB       LEU  56 -12.335   0.409  -4.327
  648   2HB   LEU  56          2HB       LEU  56 -11.079  -0.601  -3.638
  649    HG   LEU  56           HG       LEU  56 -10.761   2.223  -4.653
  650   1HD1  LEU  56          1HD1      LEU  56 -11.759   2.365  -2.559
  651   2HD1  LEU  56          2HD1      LEU  56 -10.036   2.499  -2.204
  652   3HD1  LEU  56          3HD1      LEU  56 -10.875   0.971  -1.936
  653   1HD2  LEU  56          1HD2      LEU  56  -8.504   1.317  -3.192
  654   2HD2  LEU  56          2HD2      LEU  56  -8.587   1.858  -4.868
  655   3HD2  LEU  56          3HD2      LEU  56  -8.828   0.155  -4.479
  656    H    SER  57           H        SER  57 -13.313  -0.410  -6.755
  657    HA   SER  57           HA       SER  57 -14.371  -2.818  -5.926
  658   1HB   SER  57          1HB       SER  57 -15.733  -1.081  -6.972
  659   2HB   SER  57          2HB       SER  57 -14.920  -1.345  -8.514
  660    HG   SER  57           HG       SER  57 -16.680  -3.071  -7.131
  661    H    ASP  58           H        ASP  58 -12.441  -2.144  -8.816
  662    HA   ASP  58           HA       ASP  58 -12.664  -4.637 -10.058
  663   1HB   ASP  58          1HB       ASP  58 -11.662  -2.639 -11.122
  664   2HB   ASP  58          2HB       ASP  58 -10.273  -2.776 -10.049
  665    H    TYR  59           H        TYR  59 -10.358  -3.471  -7.635
  666    HA   TYR  59           HA       TYR  59  -8.866  -5.888  -7.501
  667   1HB   TYR  59          1HB       TYR  59  -9.098  -3.586  -5.554
  668   2HB   TYR  59          2HB       TYR  59  -7.958  -4.913  -5.380
  669    HD1  TYR  59           HD1      TYR  59  -5.810  -4.249  -5.849
  670    HD2  TYR  59           HD2      TYR  59  -8.975  -2.699  -8.234
  671    HE1  TYR  59           HE1      TYR  59  -4.174  -3.024  -7.216
  672    HE2  TYR  59           HE2      TYR  59  -7.347  -1.474  -9.608
  673    HH   TYR  59           HH       TYR  59  -4.398  -0.752  -8.759
  674    H    ASN  60           H        ASN  60 -11.743  -4.702  -5.950
  675    HA   ASN  60           HA       ASN  60 -13.274  -5.662  -4.575
  676   1HB   ASN  60          1HB       ASN  60 -12.991  -7.555  -6.250
  677   2HB   ASN  60          2HB       ASN  60 -11.887  -8.297  -5.098
  678   1HD2  ASN  60          1HD2      ASN  60 -14.971  -8.285  -6.168
  679   2HD2  ASN  60          2HD2      ASN  60 -15.775  -8.917  -4.776
  680    H    ILE  61           H        ILE  61 -11.257  -4.430  -3.321
  681    HA   ILE  61           HA       ILE  61  -9.835  -6.015  -1.450
  682    HB   ILE  61           HB       ILE  61 -10.537  -3.080  -1.286
  683   1HG1  ILE  61          1HG1      ILE  61  -8.063  -4.442  -2.374
  684   2HG1  ILE  61          2HG1      ILE  61  -9.324  -3.701  -3.353
  685   1HG2  ILE  61          1HG2      ILE  61  -9.506  -4.662   0.694
  686   2HG2  ILE  61          2HG2      ILE  61  -9.282  -2.918   0.563
  687   3HG2  ILE  61          3HG2      ILE  61  -8.051  -4.014  -0.065
  688   1HD1  ILE  61          1HD1      ILE  61  -7.484  -2.298  -1.431
  689   2HD1  ILE  61          2HD1      ILE  61  -8.802  -1.528  -2.316
  690   3HD1  ILE  61          3HD1      ILE  61  -7.439  -2.223  -3.192
  691    H    GLN  62           H        GLN  62 -10.436  -6.851   0.435
  692    HA   GLN  62           HA       GLN  62 -13.136  -6.805   1.282
  693   1HB   GLN  62          1HB       GLN  62 -10.658  -7.739   2.740
  694   2HB   GLN  62          2HB       GLN  62 -12.310  -8.080   3.236
  695   1HG   GLN  62          1HG       GLN  62 -12.683  -9.312   1.165
  696   2HG   GLN  62          2HG       GLN  62 -11.034  -8.962   0.656
  697   1HE2  GLN  62          1HE2      GLN  62 -10.879  -9.356   3.902
  698   2HE2  GLN  62          2HE2      GLN  62 -10.507 -11.039   3.978
  699    H    LYS  63           H        LYS  63 -14.123  -5.787   3.013
  700    HA   LYS  63           HA       LYS  63 -13.326  -3.196   3.643
  701   1HB   LYS  63          1HB       LYS  63 -15.069  -3.217   5.338
  702   2HB   LYS  63          2HB       LYS  63 -15.637  -4.015   3.878
  703   1HG   LYS  63          1HG       LYS  63 -15.188  -6.194   4.913
  704   2HG   LYS  63          2HG       LYS  63 -14.666  -5.372   6.383
  705   1HD   LYS  63          1HD       LYS  63 -17.415  -5.174   5.151
  706   2HD   LYS  63          2HD       LYS  63 -16.988  -6.178   6.538
  707   1HE   LYS  63          1HE       LYS  63 -16.342  -4.161   7.781
  708   2HE   LYS  63          2HE       LYS  63 -16.795  -3.169   6.396
  709   1HZ   LYS  63          1HZ       LYS  63 -19.030  -4.587   6.794
  710   2HZ   LYS  63          2HZ       LYS  63 -18.751  -3.055   7.454
  711   3HZ   LYS  63          3HZ       LYS  63 -18.469  -4.439   8.384
  712    H    GLU  64           H        GLU  64 -12.273  -2.257   5.346
  713    HA   GLU  64           HA       GLU  64 -10.731  -2.035   7.000
  714   1HB   GLU  64          1HB       GLU  64 -11.994  -4.584   8.026
  715   2HB   GLU  64          2HB       GLU  64 -10.939  -3.525   8.951
  716   1HG   GLU  64          1HG       GLU  64 -12.568  -1.720   8.754
  717   2HG   GLU  64          2HG       GLU  64 -13.627  -2.777   7.821
  718    H    SER  65           H        SER  65  -9.841  -3.251   4.645
  719    HA   SER  65           HA       SER  65  -8.202  -5.524   5.347
  720   1HB   SER  65          1HB       SER  65  -9.153  -5.426   3.111
  721   2HB   SER  65          2HB       SER  65  -8.343  -3.890   2.805
  722    HG   SER  65           HG       SER  65  -7.316  -6.472   2.847
  723    H    THR  66           H        THR  66  -5.969  -5.591   5.412
  724    HA   THR  66           HA       THR  66  -4.695  -3.117   6.253
  725    HB   THR  66           HB       THR  66  -3.659  -5.962   6.204
  726    HG1  THR  66           HG1      THR  66  -4.962  -5.980   7.897
  727   1HG2  THR  66          1HG2      THR  66  -2.289  -4.154   7.991
  728   2HG2  THR  66          2HG2      THR  66  -2.184  -3.594   6.322
  729   3HG2  THR  66          3HG2      THR  66  -1.629  -5.214   6.745
  730    H    LEU  67           H        LEU  67  -3.322  -1.957   5.022
  731    HA   LEU  67           HA       LEU  67  -2.409  -3.164   2.494
  732   1HB   LEU  67          1HB       LEU  67  -3.059  -0.267   3.048
  733   2HB   LEU  67          2HB       LEU  67  -2.423  -0.892   1.538
  734    HG   LEU  67           HG       LEU  67  -5.125  -1.514   2.733
  735   1HD1  LEU  67          1HD1      LEU  67  -6.041  -0.241   0.965
  736   2HD1  LEU  67          2HD1      LEU  67  -4.481  -0.111   0.153
  737   3HD1  LEU  67          3HD1      LEU  67  -4.759   0.744   1.671
  738   1HD2  LEU  67          1HD2      LEU  67  -5.426  -2.591   0.413
  739   2HD2  LEU  67          2HD2      LEU  67  -4.546  -3.490   1.649
  740   3HD2  LEU  67          3HD2      LEU  67  -3.664  -2.649   0.375
  741    H    HIS  68           H        HIS  68  -0.295  -3.215   2.105
  742    HA   HIS  68           HA       HIS  68   1.526  -2.257   4.123
  743   1HB   HIS  68          1HB       HIS  68   2.046  -3.669   1.499
  744   2HB   HIS  68          2HB       HIS  68   3.263  -3.338   2.727
  745    HD1  HIS  68           HD1      HIS  68   2.290  -4.349   5.246
  746    HD2  HIS  68           HD2      HIS  68   1.233  -6.225   1.692
  747    HE1  HIS  68           HE1      HIS  68   1.602  -6.678   5.894
  748    HE2  HIS  68           HE2      HIS  68   0.857  -7.756   3.742
  749    H    LEU  69           H        LEU  69   3.157  -0.730   3.865
  750    HA   LEU  69           HA       LEU  69   3.037   0.925   1.439
  751   1HB   LEU  69          1HB       LEU  69   1.744   2.058   3.174
  752   2HB   LEU  69          2HB       LEU  69   3.104   1.953   4.276
  753    HG   LEU  69           HG       LEU  69   4.399   3.475   2.899
  754   1HD1  LEU  69          1HD1      LEU  69   2.027   3.855   1.109
  755   2HD1  LEU  69          2HD1      LEU  69   3.260   2.646   0.752
  756   3HD1  LEU  69          3HD1      LEU  69   3.701   4.350   0.858
  757   1HD2  LEU  69          1HD2      LEU  69   1.922   4.142   4.179
  758   2HD2  LEU  69          2HD2      LEU  69   2.221   5.241   2.830
  759   3HD2  LEU  69          3HD2      LEU  69   3.426   5.061   4.107
  760    H    VAL  70           H        VAL  70   4.979   1.734   0.731
  761    HA   VAL  70           HA       VAL  70   7.348   1.460   2.385
  762    HB   VAL  70           HB       VAL  70   7.489  -0.700   1.525
  763   1HG1  VAL  70          1HG1      VAL  70   5.720   0.243  -0.417
  764   2HG1  VAL  70          2HG1      VAL  70   6.261  -1.419  -0.163
  765   3HG1  VAL  70          3HG1      VAL  70   7.121  -0.371  -1.295
  766   1HG2  VAL  70          1HG2      VAL  70   8.944   0.958  -0.529
  767   2HG2  VAL  70          2HG2      VAL  70   9.295  -0.716  -0.091
  768   3HG2  VAL  70          3HG2      VAL  70   9.545   0.577   1.085
  769    H    LEU  71           H        LEU  71   8.574   3.171   2.089
  770    HA   LEU  71           HA       LEU  71   8.030   5.072   0.039
  771   1HB   LEU  71          1HB       LEU  71  10.250   4.908   2.076
  772   2HB   LEU  71          2HB       LEU  71  10.021   6.263   0.991
  773    HG   LEU  71           HG       LEU  71   9.131   6.839   3.143
  774   1HD1  LEU  71          1HD1      LEU  71   7.191   7.766   2.428
  775   2HD1  LEU  71          2HD1      LEU  71   6.606   6.267   1.707
  776   3HD1  LEU  71          3HD1      LEU  71   7.822   7.232   0.870
  777   1HD2  LEU  71          1HD2      LEU  71   7.246   4.501   2.956
  778   2HD2  LEU  71          2HD2      LEU  71   7.493   5.595   4.317
  779   3HD2  LEU  71          3HD2      LEU  71   8.759   4.455   3.860
  780    H    ARG  72           H        ARG  72   9.041   5.457  -1.835
  781    HA   ARG  72           HA       ARG  72  10.796   3.448  -2.897
  782   1HB   ARG  72          1HB       ARG  72   9.044   4.593  -4.251
  783   2HB   ARG  72          2HB       ARG  72   9.962   6.087  -4.123
  784   1HG   ARG  72          1HG       ARG  72  11.865   4.911  -5.248
  785   2HG   ARG  72          2HG       ARG  72  10.774   3.554  -5.529
  786   1HD   ARG  72          1HD       ARG  72  10.313   6.380  -6.479
  787   2HD   ARG  72          2HD       ARG  72  10.950   5.071  -7.472
  788    HE   ARG  72           HE       ARG  72   8.232   5.572  -6.892
  789   1HH1  ARG  72          1HH1      ARG  72  10.502   2.954  -7.268
  790   2HH1  ARG  72          2HH1      ARG  72   9.300   1.812  -7.768
  791   1HH2  ARG  72          1HH2      ARG  72   6.644   4.075  -7.556
  792   2HH2  ARG  72          2HH2      ARG  72   7.107   2.448  -7.928
  793    H    LEU  73           H        LEU  73  12.083   4.485  -0.739
  794    HA   LEU  73           HA       LEU  73  14.097   5.272  -0.052
  795   1HB   LEU  73          1HB       LEU  73  15.001   4.036  -1.936
  796   2HB   LEU  73          2HB       LEU  73  14.645   5.369  -3.018
  797    HG   LEU  73           HG       LEU  73  16.290   6.767  -1.809
  798   1HD1  LEU  73          1HD1      LEU  73  16.868   6.168   0.250
  799   2HD1  LEU  73          2HD1      LEU  73  17.849   4.894  -0.475
  800   3HD1  LEU  73          3HD1      LEU  73  16.197   4.551   0.040
  801   1HD2  LEU  73          1HD2      LEU  73  17.297   5.920  -3.665
  802   2HD2  LEU  73          2HD2      LEU  73  16.998   4.245  -3.202
  803   3HD2  LEU  73          3HD2      LEU  73  18.300   5.153  -2.434
  804    H    ARG  74           H        ARG  74  14.688   7.200   0.729
  805    HA   ARG  74           HA       ARG  74  13.291   9.537   0.032
  806   1HB   ARG  74          1HB       ARG  74  15.870   9.266   1.588
  807   2HB   ARG  74          2HB       ARG  74  14.841  10.692   1.558
  808   1HG   ARG  74          1HG       ARG  74  13.030   9.404   2.579
  809   2HG   ARG  74          2HG       ARG  74  14.071   7.980   2.617
  810   1HD   ARG  74          1HD       ARG  74  14.626  10.587   4.032
  811   2HD   ARG  74          2HD       ARG  74  13.963   9.142   4.790
  812    HE   ARG  74           HE       ARG  74  16.061   8.184   4.761
  813   1HH1  ARG  74          1HH1      ARG  74  16.104  11.173   2.961
  814   2HH1  ARG  74          2HH1      ARG  74  17.827  11.185   2.782
  815   1HH2  ARG  74          1HH2      ARG  74  18.325   8.201   4.529
  816   2HH2  ARG  74          2HH2      ARG  74  19.086   9.498   3.669
  817    H    GLY  75           H        GLY  75  16.575   8.446  -0.732
  818   1HA   GLY  75          1HA       GLY  75  17.976   9.037  -2.457
  819   2HA   GLY  75          2HA       GLY  75  16.618   9.876  -3.190
  820    H    GLY  76           H        GLY  76  19.580  10.500  -2.628
  821   1HA   GLY  76          1HA       GLY  76  19.280  13.289  -2.371
  822   2HA   GLY  76          2HA       GLY  76  19.755  12.627  -0.814
  Start of MODEL    4
    1   1H    TYR 255          1H        TYR 255 -25.608   2.203  -4.613
    2   2H    TYR 255          2H        TYR 255 -26.873   1.288  -3.965
    3   3H    TYR 255          3H        TYR 255 -25.776   0.573  -5.035
    4    HA   TYR 255           HA       TYR 255 -25.536   1.104  -2.200
    5   1HB   TYR 255          1HB       TYR 255 -24.330  -0.871  -4.153
    6   2HB   TYR 255          2HB       TYR 255 -24.024  -0.893  -2.421
    7    HD1  TYR 255           HD1      TYR 255 -25.118  -2.632  -1.390
    8    HD2  TYR 255           HD2      TYR 255 -27.112  -0.561  -4.526
    9    HE1  TYR 255           HE1      TYR 255 -27.101  -4.046  -1.055
   10    HE2  TYR 255           HE2      TYR 255 -29.102  -1.968  -4.198
   11    HH   TYR 255           HH       TYR 255 -29.377  -4.543  -3.114
   12    HA   PRO 256           HA       PRO 256 -21.997   3.779  -2.664
   13   1HB   PRO 256          1HB       PRO 256 -21.131   3.692  -0.088
   14   2HB   PRO 256          2HB       PRO 256 -22.523   4.649  -0.606
   15   1HG   PRO 256          1HG       PRO 256 -22.454   1.962   0.709
   16   2HG   PRO 256          2HG       PRO 256 -23.527   3.337   1.027
   17   1HD   PRO 256          1HD       PRO 256 -24.293   1.203  -0.453
   18   2HD   PRO 256          2HD       PRO 256 -24.898   2.843  -0.760
   19    H    GLU 257           H        GLU 257 -20.008   3.343  -3.382
   20    HA   GLU 257           HA       GLU 257 -18.923   0.733  -3.294
   21   1HB   GLU 257          1HB       GLU 257 -17.632   3.358  -4.055
   22   2HB   GLU 257          2HB       GLU 257 -16.922   1.774  -4.337
   23   1HG   GLU 257          1HG       GLU 257 -19.511   2.775  -5.502
   24   2HG   GLU 257          2HG       GLU 257 -17.966   2.668  -6.346
   25    H    ASP 258           H        ASP 258 -17.633  -0.230  -1.869
   26    HA   ASP 258           HA       ASP 258 -16.730   1.300   0.445
   27   1HB   ASP 258          1HB       ASP 258 -17.960  -0.776   0.865
   28   2HB   ASP 258          2HB       ASP 258 -16.764  -1.685  -0.054
   29    H    GLU 259           H        GLU 259 -15.426  -0.858  -2.045
   30    HA   GLU 259           HA       GLU 259 -12.751  -0.811  -1.186
   31   1HB   GLU 259          1HB       GLU 259 -13.553  -2.495  -2.733
   32   2HB   GLU 259          2HB       GLU 259 -13.925  -1.265  -3.934
   33   1HG   GLU 259          1HG       GLU 259 -11.517  -0.711  -4.043
   34   2HG   GLU 259          2HG       GLU 259 -11.196  -2.049  -2.943
   35    H    GLU 260           H        GLU 260 -14.406   1.095  -3.694
   36    HA   GLU 260           HA       GLU 260 -12.153   2.613  -4.428
   37   1HB   GLU 260          1HB       GLU 260 -15.105   3.127  -4.755
   38   2HB   GLU 260          2HB       GLU 260 -13.875   4.207  -5.395
   39   1HG   GLU 260          1HG       GLU 260 -14.487   2.846  -7.190
   40   2HG   GLU 260          2HG       GLU 260 -12.950   2.196  -6.628
   41    H    GLU 261           H        GLU 261 -14.815   3.325  -2.183
   42    HA   GLU 261           HA       GLU 261 -14.025   5.929  -1.514
   43   1HB   GLU 261          1HB       GLU 261 -16.228   4.921  -0.961
   44   2HB   GLU 261          2HB       GLU 261 -15.442   3.913   0.243
   45   1HG   GLU 261          1HG       GLU 261 -15.394   6.918   0.315
   46   2HG   GLU 261          2HG       GLU 261 -16.623   5.943   1.117
   47    H    LEU 262           H        LEU 262 -13.180   2.807  -0.089
   48    HA   LEU 262           HA       LEU 262 -11.632   3.788   2.052
   49   1HB   LEU 262          1HB       LEU 262 -12.552   1.464   1.756
   50   2HB   LEU 262          2HB       LEU 262 -11.272   1.173   0.596
   51    HG   LEU 262           HG       LEU 262  -9.619   1.656   2.427
   52   1HD1  LEU 262          1HD1      LEU 262 -10.239   2.030   4.584
   53   2HD1  LEU 262          2HD1      LEU 262 -11.766   1.163   4.414
   54   3HD1  LEU 262          3HD1      LEU 262 -11.602   2.794   3.765
   55   1HD2  LEU 262          1HD2      LEU 262 -11.129  -0.579   3.530
   56   2HD2  LEU 262          2HD2      LEU 262  -9.526  -0.546   2.797
   57   3HD2  LEU 262          3HD2      LEU 262 -10.961  -0.650   1.775
   58    H    ILE 263           H        ILE 263 -10.701   2.624  -1.175
   59    HA   ILE 263           HA       ILE 263  -7.949   2.955  -0.957
   60    HB   ILE 263           HB       ILE 263  -9.850   2.845  -3.239
   61   1HG1  ILE 263          1HG1      ILE 263  -7.369   1.278  -2.538
   62   2HG1  ILE 263          2HG1      ILE 263  -9.022   0.802  -2.170
   63   1HG2  ILE 263          1HG2      ILE 263  -7.866   3.022  -4.810
   64   2HG2  ILE 263          2HG2      ILE 263  -6.998   3.765  -3.467
   65   3HG2  ILE 263          3HG2      ILE 263  -8.449   4.533  -4.111
   66   1HD1  ILE 263          1HD1      ILE 263  -7.565   0.108  -4.403
   67   2HD1  ILE 263          2HD1      ILE 263  -8.662   1.361  -4.984
   68   3HD1  ILE 263          3HD1      ILE 263  -9.306  -0.074  -4.185
   69    H    ARG 264           H        ARG 264 -10.295   5.248  -2.403
   70    HA   ARG 264           HA       ARG 264  -8.410   7.281  -2.838
   71   1HB   ARG 264          1HB       ARG 264 -10.299   8.796  -3.089
   72   2HB   ARG 264          2HB       ARG 264 -10.578   7.289  -3.948
   73   1HG   ARG 264          1HG       ARG 264 -11.994   6.518  -2.088
   74   2HG   ARG 264          2HG       ARG 264 -11.751   8.070  -1.289
   75   1HD   ARG 264          1HD       ARG 264 -13.027   7.669  -3.995
   76   2HD   ARG 264          2HD       ARG 264 -13.895   7.961  -2.490
   77    HE   ARG 264           HE       ARG 264 -13.299  10.188  -2.596
   78   1HH1  ARG 264          1HH1      ARG 264 -11.656   8.398  -5.099
   79   2HH1  ARG 264          2HH1      ARG 264 -11.049   9.816  -5.888
   80   1HH2  ARG 264          1HH2      ARG 264 -12.507  12.052  -3.633
   81   2HH2  ARG 264          2HH2      ARG 264 -11.532  11.890  -5.055
   82    H    LYS 265           H        LYS 265 -10.349   6.456  -0.022
   83    HA   LYS 265           HA       LYS 265 -10.019   8.778   1.481
   84   1HB   LYS 265          1HB       LYS 265 -11.469   6.978   2.243
   85   2HB   LYS 265          2HB       LYS 265 -10.094   5.893   2.396
   86   1HG   LYS 265          1HG       LYS 265 -10.850   6.731   4.564
   87   2HG   LYS 265          2HG       LYS 265  -9.198   7.234   4.206
   88   1HD   LYS 265          1HD       LYS 265 -10.454   9.075   5.175
   89   2HD   LYS 265          2HD       LYS 265 -10.037   9.433   3.499
   90   1HE   LYS 265          1HE       LYS 265 -12.335  10.082   3.997
   91   2HE   LYS 265          2HE       LYS 265 -12.282   8.795   2.793
   92   1HZ   LYS 265          1HZ       LYS 265 -12.838   8.426   5.689
   93   2HZ   LYS 265          2HZ       LYS 265 -12.802   7.197   4.527
   94   3HZ   LYS 265          3HZ       LYS 265 -13.993   8.396   4.453
   95    H    ALA 266           H        ALA 266  -7.961   5.915   1.198
   96    HA   ALA 266           HA       ALA 266  -5.892   6.857   2.893
   97   1HB   ALA 266          1HB       ALA 266  -5.023   5.061   0.767
   98   2HB   ALA 266          2HB       ALA 266  -6.454   4.483   1.619
   99   3HB   ALA 266          3HB       ALA 266  -4.980   4.847   2.517
  100    H    ILE 267           H        ILE 267  -6.642   7.225  -0.504
  101    HA   ILE 267           HA       ILE 267  -4.183   8.215  -1.404
  102    HB   ILE 267           HB       ILE 267  -6.957   8.783  -2.435
  103   1HG1  ILE 267          1HG1      ILE 267  -4.820   6.840  -3.345
  104   2HG1  ILE 267          2HG1      ILE 267  -6.294   6.413  -2.485
  105   1HG2  ILE 267          1HG2      ILE 267  -4.258   9.391  -3.628
  106   2HG2  ILE 267          2HG2      ILE 267  -5.538  10.533  -3.223
  107   3HG2  ILE 267          3HG2      ILE 267  -5.761   9.394  -4.551
  108   1HD1  ILE 267          1HD1      ILE 267  -7.129   6.025  -4.510
  109   2HD1  ILE 267          2HD1      ILE 267  -5.856   6.946  -5.312
  110   3HD1  ILE 267          3HD1      ILE 267  -7.259   7.778  -4.643
  111    H    GLU 268           H        GLU 268  -7.052   9.942  -0.214
  112    HA   GLU 268           HA       GLU 268  -5.969  12.531  -0.514
  113   1HB   GLU 268          1HB       GLU 268  -8.153  11.539   1.321
  114   2HB   GLU 268          2HB       GLU 268  -7.790  13.232   1.021
  115   1HG   GLU 268          1HG       GLU 268  -8.327  12.923  -1.345
  116   2HG   GLU 268          2HG       GLU 268  -8.707  11.230  -1.032
  117    H    LEU 269           H        LEU 269  -6.235  10.393   2.316
  118    HA   LEU 269           HA       LEU 269  -5.044  12.086   4.184
  119   1HB   LEU 269          1HB       LEU 269  -4.893   9.073   4.063
  120   2HB   LEU 269          2HB       LEU 269  -4.570  10.058   5.477
  121    HG   LEU 269           HG       LEU 269  -7.239   9.804   4.088
  122   1HD1  LEU 269          1HD1      LEU 269  -7.080   8.970   6.855
  123   2HD1  LEU 269          2HD1      LEU 269  -6.002   8.034   5.819
  124   3HD1  LEU 269          3HD1      LEU 269  -7.725   8.118   5.452
  125   1HD2  LEU 269          1HD2      LEU 269  -7.004  10.988   6.782
  126   2HD2  LEU 269          2HD2      LEU 269  -8.091  11.391   5.452
  127   3HD2  LEU 269          3HD2      LEU 269  -6.427  11.975   5.439
  128    H    SER 270           H        SER 270  -3.611   9.866   1.860
  129    HA   SER 270           HA       SER 270  -0.957  10.023   2.819
  130   1HB   SER 270          1HB       SER 270  -1.672   8.222   1.333
  131   2HB   SER 270          2HB       SER 270  -1.985   9.383   0.044
  132    HG   SER 270           HG       SER 270   0.104   9.562  -0.326
  133    H    LEU 271           H        LEU 271  -2.684  11.809   0.279
  134    HA   LEU 271           HA       LEU 271  -0.515  13.332  -0.629
  135   1HB   LEU 271          1HB       LEU 271  -3.463  13.970  -0.591
  136   2HB   LEU 271          2HB       LEU 271  -2.265  14.923  -1.445
  137    HG   LEU 271           HG       LEU 271  -2.888  12.022  -2.008
  138   1HD1  LEU 271          1HD1      LEU 271  -4.751  13.111  -2.810
  139   2HD1  LEU 271          2HD1      LEU 271  -3.681  13.160  -4.211
  140   3HD1  LEU 271          3HD1      LEU 271  -3.859  14.585  -3.187
  141   1HD2  LEU 271          1HD2      LEU 271  -0.958  12.001  -3.105
  142   2HD2  LEU 271          2HD2      LEU 271  -0.673  13.698  -2.718
  143   3HD2  LEU 271          3HD2      LEU 271  -1.586  13.265  -4.163
  144    H    LYS 272           H        LYS 272  -3.024  14.182   1.759
  145    HA   LYS 272           HA       LYS 272  -1.975  16.705   2.413
  146   1HB   LYS 272          1HB       LYS 272  -3.804  14.800   3.845
  147   2HB   LYS 272          2HB       LYS 272  -3.268  16.282   4.623
  148   1HG   LYS 272          1HG       LYS 272  -5.446  16.573   3.593
  149   2HG   LYS 272          2HG       LYS 272  -4.241  17.596   2.814
  150   1HD   LYS 272          1HD       LYS 272  -4.048  15.975   0.989
  151   2HD   LYS 272          2HD       LYS 272  -5.251  14.949   1.772
  152   1HE   LYS 272          1HE       LYS 272  -6.235  16.290  -0.026
  153   2HE   LYS 272          2HE       LYS 272  -6.922  16.701   1.545
  154   1HZ   LYS 272          1HZ       LYS 272  -5.971  18.746   1.532
  155   2HZ   LYS 272          2HZ       LYS 272  -6.118  18.537  -0.140
  156   3HZ   LYS 272          3HZ       LYS 272  -4.631  18.262   0.618
  157    H    GLU 273           H        GLU 273  -1.387  13.498   3.771
  158    HA   GLU 273           HA       GLU 273   0.144  14.253   5.983
  159   1HB   GLU 273          1HB       GLU 273  -0.696  11.970   5.645
  160   2HB   GLU 273          2HB       GLU 273   0.390  11.766   4.277
  161   1HG   GLU 273          1HG       GLU 273   2.312  12.000   5.762
  162   2HG   GLU 273          2HG       GLU 273   1.226  12.213   7.135
  163    H    SER 274           H        SER 274   1.175  13.400   2.690
  164    HA   SER 274           HA       SER 274   3.909  14.164   3.253
  165   1HB   SER 274          1HB       SER 274   3.395  12.237   1.765
  166   2HB   SER 274          2HB       SER 274   2.653  13.353   0.616
  167    HG   SER 274           HG       SER 274   4.854  12.857   0.120
  168    H    ARG 275           H        ARG 275   2.606  16.367   3.801
  169    HA   ARG 275           HA       ARG 275   1.774  18.131   1.883
  170   1HB   ARG 275          1HB       ARG 275   2.402  19.938   3.365
  171   2HB   ARG 275          2HB       ARG 275   1.766  18.605   4.315
  172   1HG   ARG 275          1HG       ARG 275   4.706  19.095   3.917
  173   2HG   ARG 275          2HG       ARG 275   3.780  19.754   5.265
  174   1HD   ARG 275          1HD       ARG 275   4.101  16.827   4.605
  175   2HD   ARG 275          2HD       ARG 275   4.949  17.693   5.886
  176    HE   ARG 275           HE       ARG 275   2.365  16.589   6.047
  177   1HH1  ARG 275          1HH1      ARG 275   4.148  19.438   6.986
  178   2HH1  ARG 275          2HH1      ARG 275   3.132  19.777   8.348
  179   1HH2  ARG 275          1HH2      ARG 275   1.029  17.033   7.834
  180   2HH2  ARG 275          2HH2      ARG 275   1.362  18.411   8.830
  181    H    ASN 276           H        ASN 276   2.664  19.330   0.304
  182    HA   ASN 276           HA       ASN 276   4.175  20.016  -1.253
  183   1HB   ASN 276          1HB       ASN 276   4.975  21.327   0.726
  184   2HB   ASN 276          2HB       ASN 276   6.119  20.036   1.069
  185   1HD2  ASN 276          1HD2      ASN 276   5.793  20.232  -2.220
  186   2HD2  ASN 276          2HD2      ASN 276   7.131  21.266  -2.568
  187    H    SER 277           H        SER 277   3.744  17.298  -1.140
  188    HA   SER 277           HA       SER 277   6.086  15.729  -0.991
  189   1HB   SER 277          1HB       SER 277   4.763  14.018  -2.187
  190   2HB   SER 277          2HB       SER 277   3.852  14.735  -0.858
  191    HG   SER 277           HG       SER 277   3.061  16.218  -2.627
  192    H    ALA 278           H        ALA 278   4.379  17.177  -3.746
  193    HA   ALA 278           HA       ALA 278   6.763  17.623  -5.212
  194   1HB   ALA 278          1HB       ALA 278   7.054  15.675  -6.239
  195   2HB   ALA 278          2HB       ALA 278   5.473  15.866  -6.998
  196   3HB   ALA 278          3HB       ALA 278   5.616  15.015  -5.459
  197   1H    MET   1          1H        MET   1  16.485  -2.078   4.250
  198   2H    MET   1          2H        MET   1  16.295  -1.359   2.731
  199   3H    MET   1          3H        MET   1  15.250  -2.597   3.216
  200    HA   MET   1           HA       MET   1  15.342  -0.338   5.007
  201   1HB   MET   1          1HB       MET   1  13.931   1.056   3.507
  202   2HB   MET   1          2HB       MET   1  15.573   0.848   2.914
  203   1HG   MET   1          1HG       MET   1  14.798  -0.870   1.361
  204   2HG   MET   1          2HG       MET   1  13.153  -0.662   1.955
  205   1HE   MET   1          1HE       MET   1  12.976   3.094   1.659
  206   2HE   MET   1          2HE       MET   1  12.262   1.617   2.306
  207   3HE   MET   1          3HE       MET   1  11.723   2.248   0.750
  208    H    GLN   2           H        GLN   2  13.675  -0.569   6.362
  209    HA   GLN   2           HA       GLN   2  11.615  -2.531   5.681
  210   1HB   GLN   2          1HB       GLN   2  11.119  -2.605   8.067
  211   2HB   GLN   2          2HB       GLN   2  12.830  -2.887   7.779
  212   1HG   GLN   2          1HG       GLN   2  13.305  -0.566   8.387
  213   2HG   GLN   2          2HG       GLN   2  11.592  -0.302   8.695
  214   1HE2  GLN   2          1HE2      GLN   2  12.294  -3.409   9.583
  215   2HE2  GLN   2          2HE2      GLN   2  12.594  -3.159  11.264
  216    H    ILE   3           H        ILE   3   9.470  -2.086   5.658
  217    HA   ILE   3           HA       ILE   3   8.610   0.669   6.203
  218    HB   ILE   3           HB       ILE   3   7.137   0.585   4.199
  219   1HG1  ILE   3          1HG1      ILE   3   8.781  -1.867   3.519
  220   2HG1  ILE   3          2HG1      ILE   3   7.069  -1.858   3.925
  221   1HG2  ILE   3          1HG2      ILE   3   9.619   1.476   4.365
  222   2HG2  ILE   3          2HG2      ILE   3   8.730   1.497   2.841
  223   3HG2  ILE   3          3HG2      ILE   3   9.899   0.216   3.163
  224   1HD1  ILE   3          1HD1      ILE   3   7.060  -0.136   1.869
  225   2HD1  ILE   3          2HD1      ILE   3   6.842  -1.877   1.692
  226   3HD1  ILE   3          3HD1      ILE   3   8.427  -1.154   1.414
  227    H    PHE   4           H        PHE   4   6.520   0.882   6.993
  228    HA   PHE   4           HA       PHE   4   5.352  -1.620   7.952
  229   1HB   PHE   4          1HB       PHE   4   5.194   1.222   8.833
  230   2HB   PHE   4          2HB       PHE   4   3.849   0.153   9.213
  231    HD1  PHE   4           HD1      PHE   4   3.964  -1.340  10.984
  232    HD2  PHE   4           HD2      PHE   4   7.512   0.568   9.616
  233    HE1  PHE   4           HE1      PHE   4   5.171  -2.205  12.940
  234    HE2  PHE   4           HE2      PHE   4   8.731  -0.289  11.575
  235    HZ   PHE   4           HZ       PHE   4   7.561  -1.676  13.241
  236    H    VAL   5           H        VAL   5   3.635  -2.499   7.064
  237    HA   VAL   5           HA       VAL   5   2.090  -1.010   5.097
  238    HB   VAL   5           HB       VAL   5   1.801  -3.888   5.991
  239   1HG1  VAL   5          1HG1      VAL   5   0.674  -3.975   3.650
  240   2HG1  VAL   5          2HG1      VAL   5   0.464  -2.240   3.887
  241   3HG1  VAL   5          3HG1      VAL   5  -0.239  -3.379   5.035
  242   1HG2  VAL   5          1HG2      VAL   5   2.771  -4.058   3.492
  243   2HG2  VAL   5          2HG2      VAL   5   3.791  -4.067   4.931
  244   3HG2  VAL   5          3HG2      VAL   5   3.565  -2.574   4.020
  245    H    LYS   6           H        LYS   6   0.117  -0.141   5.519
  246    HA   LYS   6           HA       LYS   6  -1.309  -1.042   7.915
  247   1HB   LYS   6          1HB       LYS   6  -0.034   0.896   8.619
  248   2HB   LYS   6          2HB       LYS   6  -0.647   1.831   7.262
  249   1HG   LYS   6          1HG       LYS   6  -2.913   1.672   8.190
  250   2HG   LYS   6          2HG       LYS   6  -2.275   0.766   9.563
  251   1HD   LYS   6          1HD       LYS   6  -2.556   3.079  10.194
  252   2HD   LYS   6          2HD       LYS   6  -0.834   2.702  10.117
  253   1HE   LYS   6          1HE       LYS   6  -0.740   3.704   7.869
  254   2HE   LYS   6          2HE       LYS   6  -2.448   4.121   8.000
  255   1HZ   LYS   6          1HZ       LYS   6  -0.538   5.046  10.044
  256   2HZ   LYS   6          2HZ       LYS   6  -2.024   5.717   9.592
  257   3HZ   LYS   6          3HZ       LYS   6  -0.680   5.880   8.578
  258    H    THR   7           H        THR   7  -3.366  -1.398   7.554
  259    HA   THR   7           HA       THR   7  -4.577  -0.737   5.041
  260    HB   THR   7           HB       THR   7  -6.636  -1.761   6.078
  261    HG1  THR   7           HG1      THR   7  -5.726  -1.244   8.298
  262   1HG2  THR   7          1HG2      THR   7  -4.812  -3.015   4.799
  263   2HG2  THR   7          2HG2      THR   7  -5.876  -3.975   5.827
  264   3HG2  THR   7          3HG2      THR   7  -4.251  -3.569   6.377
  265    H    LEU   8           H        LEU   8  -6.260   0.699   4.672
  266    HA   LEU   8           HA       LEU   8  -6.203   3.157   5.865
  267   1HB   LEU   8          1HB       LEU   8  -7.330   2.473   3.706
  268   2HB   LEU   8          2HB       LEU   8  -8.692   1.950   4.671
  269    HG   LEU   8           HG       LEU   8  -8.899   4.221   3.581
  270   1HD1  LEU   8          1HD1      LEU   8  -9.595   5.287   5.904
  271   2HD1  LEU   8          2HD1      LEU   8  -9.372   3.623   6.442
  272   3HD1  LEU   8          3HD1      LEU   8 -10.517   3.986   5.150
  273   1HD2  LEU   8          1HD2      LEU   8  -6.454   4.763   4.308
  274   2HD2  LEU   8          2HD2      LEU   8  -7.224   5.290   5.804
  275   3HD2  LEU   8          3HD2      LEU   8  -7.673   6.037   4.272
  276    H    THR   9           H        THR   9  -8.052   0.341   6.856
  277    HA   THR   9           HA       THR   9  -9.777   1.621   8.664
  278    HB   THR   9           HB       THR   9 -10.277  -0.620   7.986
  279    HG1  THR   9           HG1      THR   9  -9.672  -0.293  10.737
  280   1HG2  THR   9          1HG2      THR   9  -8.031  -1.777   9.574
  281   2HG2  THR   9          2HG2      THR   9  -7.719  -1.208   7.933
  282   3HG2  THR   9          3HG2      THR   9  -8.923  -2.465   8.217
  283    H    GLY  10           H        GLY  10  -6.606   0.035   9.282
  284   1HA   GLY  10          1HA       GLY  10  -5.633   1.837  11.086
  285   2HA   GLY  10          2HA       GLY  10  -6.684   0.821  12.055
  286    H    LYS  11           H        LYS  11  -6.103  -1.633  10.636
  287    HA   LYS  11           HA       LYS  11  -4.116  -2.723  12.146
  288   1HB   LYS  11          1HB       LYS  11  -5.717  -3.946  10.647
  289   2HB   LYS  11          2HB       LYS  11  -4.669  -3.544   9.294
  290   1HG   LYS  11          1HG       LYS  11  -4.201  -5.780  10.003
  291   2HG   LYS  11          2HG       LYS  11  -2.825  -4.757  10.421
  292   1HD   LYS  11          1HD       LYS  11  -3.644  -4.609  12.724
  293   2HD   LYS  11          2HD       LYS  11  -5.020  -5.627  12.298
  294   1HE   LYS  11          1HE       LYS  11  -3.476  -7.446  11.719
  295   2HE   LYS  11          2HE       LYS  11  -2.114  -6.427  12.184
  296   1HZ   LYS  11          1HZ       LYS  11  -2.618  -7.860  13.993
  297   2HZ   LYS  11          2HZ       LYS  11  -4.261  -7.460  13.952
  298   3HZ   LYS  11          3HZ       LYS  11  -3.122  -6.307  14.436
  299    H    THR  12           H        THR  12  -1.923  -3.062  12.020
  300    HA   THR  12           HA       THR  12  -0.416  -2.018   9.754
  301    HB   THR  12           HB       THR  12   0.083  -1.002  12.560
  302    HG1  THR  12           HG1      THR  12  -0.413   0.902  10.713
  303   1HG2  THR  12          1HG2      THR  12   2.091  -0.339  11.861
  304   2HG2  THR  12          2HG2      THR  12   1.388   0.453  10.451
  305   3HG2  THR  12          3HG2      THR  12   1.830  -1.253  10.376
  306    H    ILE  13           H        ILE  13   1.485  -3.089   9.425
  307    HA   ILE  13           HA       ILE  13   2.647  -4.697  11.563
  308    HB   ILE  13           HB       ILE  13   1.767  -5.910   8.940
  309   1HG1  ILE  13          1HG1      ILE  13   0.725  -7.554  10.729
  310   2HG1  ILE  13          2HG1      ILE  13   0.797  -6.122  11.753
  311   1HG2  ILE  13          1HG2      ILE  13   3.522  -7.244   9.154
  312   2HG2  ILE  13          2HG2      ILE  13   2.700  -7.935  10.554
  313   3HG2  ILE  13          3HG2      ILE  13   3.879  -6.639  10.774
  314   1HD1  ILE  13          1HD1      ILE  13  -0.915  -5.164  10.713
  315   2HD1  ILE  13          2HD1      ILE  13  -1.241  -6.777  10.077
  316   3HD1  ILE  13          3HD1      ILE  13  -0.319  -5.621   9.118
  317    H    THR  14           H        THR  14   4.826  -5.067  11.339
  318    HA   THR  14           HA       THR  14   6.315  -3.349   9.653
  319    HB   THR  14           HB       THR  14   7.404  -5.819  11.012
  320    HG1  THR  14           HG1      THR  14   7.817  -4.247  12.769
  321   1HG2  THR  14          1HG2      THR  14   8.701  -3.144  10.487
  322   2HG2  THR  14          2HG2      THR  14   8.866  -4.542   9.426
  323   3HG2  THR  14          3HG2      THR  14   9.477  -4.613  11.079
  324    H    LEU  15           H        LEU  15   7.441  -3.750   7.751
  325    HA   LEU  15           HA       LEU  15   7.548  -6.441   6.681
  326   1HB   LEU  15          1HB       LEU  15   5.287  -5.331   6.082
  327   2HB   LEU  15          2HB       LEU  15   6.231  -4.332   4.993
  328    HG   LEU  15           HG       LEU  15   5.182  -6.210   3.825
  329   1HD1  LEU  15          1HD1      LEU  15   8.169  -6.549   3.975
  330   2HD1  LEU  15          2HD1      LEU  15   7.334  -5.318   3.028
  331   3HD1  LEU  15          3HD1      LEU  15   7.115  -7.026   2.645
  332   1HD2  LEU  15          1HD2      LEU  15   6.230  -8.508   4.299
  333   2HD2  LEU  15          2HD2      LEU  15   4.975  -7.916   5.388
  334   3HD2  LEU  15          3HD2      LEU  15   6.672  -7.821   5.862
  335    H    GLU  16           H        GLU  16   9.652  -6.515   6.298
  336    HA   GLU  16           HA       GLU  16  11.088  -4.196   5.320
  337   1HB   GLU  16          1HB       GLU  16  12.019  -5.644   7.106
  338   2HB   GLU  16          2HB       GLU  16  12.098  -6.973   5.961
  339   1HG   GLU  16          1HG       GLU  16  13.548  -4.373   5.559
  340   2HG   GLU  16          2HG       GLU  16  14.250  -5.752   6.401
  341    H    VAL  17           H        VAL  17  11.895  -3.910   3.326
  342    HA   VAL  17           HA       VAL  17  11.982  -6.085   1.408
  343    HB   VAL  17           HB       VAL  17  10.723  -4.726  -0.311
  344   1HG1  VAL  17          1HG1      VAL  17   9.317  -5.901   2.071
  345   2HG1  VAL  17          2HG1      VAL  17   9.657  -6.659   0.515
  346   3HG1  VAL  17          3HG1      VAL  17   8.459  -5.369   0.625
  347   1HG2  VAL  17          1HG2      VAL  17  10.817  -2.716   1.467
  348   2HG2  VAL  17          2HG2      VAL  17   9.220  -3.368   1.836
  349   3HG2  VAL  17          3HG2      VAL  17   9.597  -2.834   0.198
  350    H    GLU  18           H        GLU  18  13.678  -5.860   0.095
  351    HA   GLU  18           HA       GLU  18  15.433  -3.644   0.361
  352   1HB   GLU  18          1HB       GLU  18  15.430  -5.866  -1.690
  353   2HB   GLU  18          2HB       GLU  18  16.757  -4.751  -1.401
  354   1HG   GLU  18          1HG       GLU  18  16.991  -5.613   0.871
  355   2HG   GLU  18          2HG       GLU  18  15.657  -6.729   0.583
  356    H    SER  19           H        SER  19  15.786  -1.911  -0.941
  357    HA   SER  19           HA       SER  19  13.723  -0.831  -2.437
  358   1HB   SER  19          1HB       SER  19  15.581   0.499  -1.528
  359   2HB   SER  19          2HB       SER  19  16.683  -0.245  -2.688
  360    HG   SER  19           HG       SER  19  14.759   0.659  -4.148
  361    H    SER  20           H        SER  20  16.408  -2.853  -3.463
  362    HA   SER  20           HA       SER  20  16.187  -2.531  -6.231
  363   1HB   SER  20          1HB       SER  20  17.038  -4.993  -4.687
  364   2HB   SER  20          2HB       SER  20  17.359  -4.693  -6.395
  365    HG   SER  20           HG       SER  20  19.102  -4.137  -4.918
  366    H    ASP  21           H        ASP  21  14.633  -4.899  -4.082
  367    HA   ASP  21           HA       ASP  21  13.269  -6.347  -6.049
  368   1HB   ASP  21          1HB       ASP  21  12.491  -5.834  -3.171
  369   2HB   ASP  21          2HB       ASP  21  11.766  -7.061  -4.206
  370    H    THR  22           H        THR  22  11.377  -6.077  -7.111
  371    HA   THR  22           HA       THR  22  10.269  -3.456  -7.276
  372    HB   THR  22           HB       THR  22   8.670  -4.434  -8.869
  373    HG1  THR  22           HG1      THR  22   9.870  -6.900  -8.084
  374   1HG2  THR  22          1HG2      THR  22  10.873  -5.839  -9.980
  375   2HG2  THR  22          2HG2      THR  22  11.507  -4.448  -9.100
  376   3HG2  THR  22          3HG2      THR  22  10.303  -4.216 -10.366
  377    H    ILE  23           H        ILE  23   7.491  -4.308  -7.669
  378    HA   ILE  23           HA       ILE  23   6.623  -4.054  -4.923
  379    HB   ILE  23           HB       ILE  23   4.994  -4.185  -7.466
  380   1HG1  ILE  23          1HG1      ILE  23   6.460  -2.212  -7.362
  381   2HG1  ILE  23          2HG1      ILE  23   4.769  -1.756  -7.193
  382   1HG2  ILE  23          1HG2      ILE  23   3.672  -2.868  -5.309
  383   2HG2  ILE  23          2HG2      ILE  23   4.198  -4.463  -4.772
  384   3HG2  ILE  23          3HG2      ILE  23   3.176  -4.307  -6.201
  385   1HD1  ILE  23          1HD1      ILE  23   5.037  -1.451  -4.828
  386   2HD1  ILE  23          2HD1      ILE  23   6.286  -0.538  -5.676
  387   3HD1  ILE  23          3HD1      ILE  23   6.688  -2.069  -4.898
  388    H    ASP  24           H        ASP  24   6.421  -6.435  -7.524
  389    HA   ASP  24           HA       ASP  24   4.628  -8.240  -6.480
  390   1HB   ASP  24          1HB       ASP  24   7.165  -8.792  -8.026
  391   2HB   ASP  24          2HB       ASP  24   5.914  -9.994  -7.723
  392    H    ASN  25           H        ASN  25   8.103  -8.020  -5.781
  393    HA   ASN  25           HA       ASN  25   8.291 -10.262  -4.115
  394   1HB   ASN  25          1HB       ASN  25  10.250  -9.044  -4.999
  395   2HB   ASN  25          2HB       ASN  25   9.864  -7.679  -3.954
  396   1HD2  ASN  25          1HD2      ASN  25  11.054  -7.584  -2.208
  397   2HD2  ASN  25          2HD2      ASN  25  11.713  -8.926  -1.341
  398    H    VAL  26           H        VAL  26   7.609  -6.869  -3.352
  399    HA   VAL  26           HA       VAL  26   7.443  -7.100  -0.573
  400    HB   VAL  26           HB       VAL  26   5.841  -5.238  -2.337
  401   1HG1  VAL  26          1HG1      VAL  26   5.711  -5.645   0.416
  402   2HG1  VAL  26          2HG1      VAL  26   5.070  -4.272  -0.488
  403   3HG1  VAL  26          3HG1      VAL  26   6.686  -4.188   0.214
  404   1HG2  VAL  26          1HG2      VAL  26   7.784  -4.320  -2.907
  405   2HG2  VAL  26          2HG2      VAL  26   8.668  -5.397  -1.825
  406   3HG2  VAL  26          3HG2      VAL  26   8.011  -3.879  -1.214
  407    H    LYS  27           H        LYS  27   4.942  -7.455  -3.064
  408    HA   LYS  27           HA       LYS  27   2.749  -7.849  -1.377
  409   1HB   LYS  27          1HB       LYS  27   3.300  -8.908  -4.152
  410   2HB   LYS  27          2HB       LYS  27   1.745  -9.045  -3.344
  411   1HG   LYS  27          1HG       LYS  27   3.140  -6.460  -4.002
  412   2HG   LYS  27          2HG       LYS  27   1.822  -7.178  -4.928
  413   1HD   LYS  27          1HD       LYS  27   0.383  -7.040  -2.925
  414   2HD   LYS  27          2HD       LYS  27   1.701  -6.245  -2.061
  415   1HE   LYS  27          1HE       LYS  27   0.113  -4.602  -2.892
  416   2HE   LYS  27          2HE       LYS  27   1.669  -4.425  -3.704
  417   1HZ   LYS  27          1HZ       LYS  27   0.536  -4.536  -5.594
  418   2HZ   LYS  27          2HZ       LYS  27  -0.890  -5.005  -4.815
  419   3HZ   LYS  27          3HZ       LYS  27   0.248  -6.171  -5.268
  420    H    SER  28           H        SER  28   5.108 -10.133  -2.679
  421    HA   SER  28           HA       SER  28   3.886 -12.502  -1.823
  422   1HB   SER  28          1HB       SER  28   5.758 -12.482  -3.406
  423   2HB   SER  28          2HB       SER  28   6.836 -11.893  -2.142
  424    HG   SER  28           HG       SER  28   6.780 -14.256  -2.601
  425    H    LYS  29           H        LYS  29   6.337 -10.477  -0.223
  426    HA   LYS  29           HA       LYS  29   6.550 -12.040   2.112
  427   1HB   LYS  29          1HB       LYS  29   7.004  -9.064   1.830
  428   2HB   LYS  29          2HB       LYS  29   7.631 -10.098   3.108
  429   1HG   LYS  29          1HG       LYS  29   8.922 -11.349   1.421
  430   2HG   LYS  29          2HG       LYS  29   8.344 -10.230   0.186
  431   1HD   LYS  29          1HD       LYS  29  10.495  -9.470   0.802
  432   2HD   LYS  29          2HD       LYS  29   9.353  -8.375   1.580
  433   1HE   LYS  29          1HE       LYS  29  10.653 -10.736   2.935
  434   2HE   LYS  29          2HE       LYS  29  11.236  -9.076   3.046
  435   1HZ   LYS  29          1HZ       LYS  29   8.922 -10.321   4.299
  436   2HZ   LYS  29          2HZ       LYS  29   8.720  -8.726   3.776
  437   3HZ   LYS  29          3HZ       LYS  29   9.945  -9.104   4.879
  438    H    ILE  30           H        ILE  30   4.558  -9.205   1.358
  439    HA   ILE  30           HA       ILE  30   3.350  -8.884   3.858
  440    HB   ILE  30           HB       ILE  30   2.228  -8.282   1.113
  441   1HG1  ILE  30          1HG1      ILE  30   3.585  -6.492   3.144
  442   2HG1  ILE  30          2HG1      ILE  30   4.333  -7.106   1.674
  443   1HG2  ILE  30          1HG2      ILE  30   0.327  -8.238   2.408
  444   2HG2  ILE  30          2HG2      ILE  30   0.892  -6.575   2.574
  445   3HG2  ILE  30          3HG2      ILE  30   1.196  -7.742   3.860
  446   1HD1  ILE  30          1HD1      ILE  30   3.626  -4.815   1.381
  447   2HD1  ILE  30          2HD1      ILE  30   1.974  -5.244   1.826
  448   3HD1  ILE  30          3HD1      ILE  30   2.681  -5.881   0.341
  449    H    GLN  31           H        GLN  31   2.481 -10.905   1.100
  450    HA   GLN  31           HA       GLN  31   0.013 -11.836   2.092
  451   1HB   GLN  31          1HB       GLN  31   0.626 -12.061  -0.260
  452   2HB   GLN  31          2HB       GLN  31   1.951 -13.135   0.167
  453   1HG   GLN  31          1HG       GLN  31   0.317 -14.756   1.044
  454   2HG   GLN  31          2HG       GLN  31  -0.986 -13.690   0.525
  455   1HE2  GLN  31          1HE2      GLN  31   1.463 -13.393  -1.673
  456   2HE2  GLN  31          2HE2      GLN  31   0.933 -14.548  -2.841
  457    H    ASP  32           H        ASP  32   3.321 -13.017   2.419
  458    HA   ASP  32           HA       ASP  32   2.743 -15.469   3.645
  459   1HB   ASP  32          1HB       ASP  32   4.956 -14.889   2.730
  460   2HB   ASP  32          2HB       ASP  32   5.178 -13.713   4.021
  461    H    LYS  33           H        LYS  33   3.486 -12.302   5.110
  462    HA   LYS  33           HA       LYS  33   3.111 -13.297   7.776
  463   1HB   LYS  33          1HB       LYS  33   3.334 -10.463   6.758
  464   2HB   LYS  33          2HB       LYS  33   3.374 -10.938   8.450
  465   1HG   LYS  33          1HG       LYS  33   5.408 -12.236   8.029
  466   2HG   LYS  33          2HG       LYS  33   5.371 -11.728   6.340
  467   1HD   LYS  33          1HD       LYS  33   5.569  -9.390   7.048
  468   2HD   LYS  33          2HD       LYS  33   5.618  -9.908   8.734
  469   1HE   LYS  33          1HE       LYS  33   7.615 -10.655   6.600
  470   2HE   LYS  33          2HE       LYS  33   7.861  -9.444   7.858
  471   1HZ   LYS  33          1HZ       LYS  33   7.053 -11.905   9.000
  472   2HZ   LYS  33          2HZ       LYS  33   8.469 -11.021   9.270
  473   3HZ   LYS  33          3HZ       LYS  33   8.404 -12.147   8.010
  474    H    GLU  34           H        GLU  34   1.334 -10.789   5.947
  475    HA   GLU  34           HA       GLU  34  -0.804 -10.652   7.760
  476   1HB   GLU  34          1HB       GLU  34  -0.244  -8.867   6.170
  477   2HB   GLU  34          2HB       GLU  34  -0.744  -9.897   4.838
  478   1HG   GLU  34          1HG       GLU  34  -2.470  -8.325   5.321
  479   2HG   GLU  34          2HG       GLU  34  -3.021  -9.938   5.763
  480    H    GLY  35           H        GLY  35  -0.459 -12.437   4.702
  481   1HA   GLY  35          1HA       GLY  35  -1.490 -14.478   4.186
  482   2HA   GLY  35          2HA       GLY  35  -2.519 -14.289   5.598
  483    H    ILE  36           H        ILE  36  -1.936 -12.277   2.718
  484    HA   ILE  36           HA       ILE  36  -4.776 -12.545   2.018
  485    HB   ILE  36           HB       ILE  36  -3.282  -9.918   2.158
  486   1HG1  ILE  36          1HG1      ILE  36  -5.674 -10.911   3.729
  487   2HG1  ILE  36          2HG1      ILE  36  -4.034 -10.772   4.354
  488   1HG2  ILE  36          1HG2      ILE  36  -6.075 -10.545   1.212
  489   2HG2  ILE  36          2HG2      ILE  36  -4.735  -9.938   0.240
  490   3HG2  ILE  36          3HG2      ILE  36  -5.447  -8.921   1.492
  491   1HD1  ILE  36          1HD1      ILE  36  -6.088  -8.808   4.253
  492   2HD1  ILE  36          2HD1      ILE  36  -4.720  -8.260   3.284
  493   3HD1  ILE  36          3HD1      ILE  36  -4.481  -8.703   4.974
  494    HA   PRO  37           HA       PRO  37  -3.170 -13.457  -2.030
  495   1HB   PRO  37          1HB       PRO  37  -5.684 -12.095  -2.890
  496   2HB   PRO  37          2HB       PRO  37  -5.036 -13.668  -3.373
  497   1HG   PRO  37          1HG       PRO  37  -7.063 -13.527  -1.666
  498   2HG   PRO  37          2HG       PRO  37  -5.763 -14.710  -1.425
  499   1HD   PRO  37          1HD       PRO  37  -6.267 -12.129  -0.005
  500   2HD   PRO  37          2HD       PRO  37  -5.654 -13.668   0.634
  501    HA   PRO  38           HA       PRO  38  -1.107  -9.626  -3.017
  502   1HB   PRO  38          1HB       PRO  38  -0.846 -10.925  -5.686
  503   2HB   PRO  38          2HB       PRO  38   0.395 -10.192  -4.664
  504   1HG   PRO  38          1HG       PRO  38   0.192 -12.836  -4.848
  505   2HG   PRO  38          2HG       PRO  38   0.560 -12.060  -3.296
  506   1HD   PRO  38          1HD       PRO  38  -2.007 -13.244  -4.264
  507   2HD   PRO  38          2HD       PRO  38  -1.298 -13.262  -2.636
  508    H    ASP  39           H        ASP  39  -3.232 -11.034  -5.513
  509    HA   ASP  39           HA       ASP  39  -3.728  -8.608  -6.849
  510   1HB   ASP  39          1HB       ASP  39  -5.667  -9.820  -7.864
  511   2HB   ASP  39          2HB       ASP  39  -4.134 -10.671  -7.998
  512    H    GLN  40           H        GLN  40  -5.431 -10.207  -4.194
  513    HA   GLN  40           HA       GLN  40  -7.688  -8.510  -4.194
  514   1HB   GLN  40          1HB       GLN  40  -7.655 -10.690  -3.067
  515   2HB   GLN  40          2HB       GLN  40  -6.477 -10.080  -1.913
  516   1HG   GLN  40          1HG       GLN  40  -8.091  -8.481  -1.072
  517   2HG   GLN  40          2HG       GLN  40  -9.269  -9.016  -2.267
  518   1HE2  GLN  40          1HE2      GLN  40  -7.665 -11.727  -1.421
  519   2HE2  GLN  40          2HE2      GLN  40  -8.673 -12.285  -0.136
  520    H    GLN  41           H        GLN  41  -4.797  -8.495  -2.103
  521    HA   GLN  41           HA       GLN  41  -5.488  -6.048  -0.830
  522   1HB   GLN  41          1HB       GLN  41  -3.176  -6.129   0.063
  523   2HB   GLN  41          2HB       GLN  41  -4.062  -7.626   0.308
  524   1HG   GLN  41          1HG       GLN  41  -2.915  -8.574  -1.668
  525   2HG   GLN  41          2HG       GLN  41  -1.965  -7.094  -1.782
  526   1HE2  GLN  41          1HE2      GLN  41  -0.014  -7.320  -0.989
  527   2HE2  GLN  41          2HE2      GLN  41   0.440  -8.292   0.364
  528    H    ARG  42           H        ARG  42  -4.982  -3.984  -1.307
  529    HA   ARG  42           HA       ARG  42  -3.272  -3.510  -3.660
  530   1HB   ARG  42          1HB       ARG  42  -5.588  -3.137  -4.277
  531   2HB   ARG  42          2HB       ARG  42  -5.827  -2.092  -2.885
  532   1HG   ARG  42          1HG       ARG  42  -5.612  -0.765  -4.883
  533   2HG   ARG  42          2HG       ARG  42  -4.220  -0.491  -3.835
  534   1HD   ARG  42          1HD       ARG  42  -3.540  -0.706  -6.168
  535   2HD   ARG  42          2HD       ARG  42  -2.888  -2.020  -5.191
  536    HE   ARG  42           HE       ARG  42  -3.974  -3.448  -6.583
  537   1HH1  ARG  42          1HH1      ARG  42  -5.715  -0.425  -6.583
  538   2HH1  ARG  42          2HH1      ARG  42  -6.905  -0.966  -7.719
  539   1HH2  ARG  42          1HH2      ARG  42  -5.534  -4.161  -8.083
  540   2HH2  ARG  42          2HH2      ARG  42  -6.804  -3.088  -8.569
  541    H    LEU  43           H        LEU  43  -1.559  -2.295  -3.255
  542    HA   LEU  43           HA       LEU  43  -1.382  -0.842  -0.744
  543   1HB   LEU  43          1HB       LEU  43   0.663  -1.399  -2.890
  544   2HB   LEU  43          2HB       LEU  43   0.997  -0.489  -1.430
  545    HG   LEU  43           HG       LEU  43   0.163  -3.390  -1.544
  546   1HD1  LEU  43          1HD1      LEU  43   2.643  -3.099  -0.298
  547   2HD1  LEU  43          2HD1      LEU  43   2.720  -2.084  -1.738
  548   3HD1  LEU  43          3HD1      LEU  43   2.319  -3.795  -1.886
  549   1HD2  LEU  43          1HD2      LEU  43   0.975  -1.714   0.829
  550   2HD2  LEU  43          2HD2      LEU  43   0.536  -3.422   0.844
  551   3HD2  LEU  43          3HD2      LEU  43  -0.676  -2.204   0.450
  552    H    ILE  44           H        ILE  44  -0.918   1.356  -0.562
  553    HA   ILE  44           HA       ILE  44  -1.085   2.993  -2.982
  554    HB   ILE  44           HB       ILE  44  -2.857   3.421  -0.570
  555   1HG1  ILE  44          1HG1      ILE  44  -3.565   2.671  -3.417
  556   2HG1  ILE  44          2HG1      ILE  44  -3.616   1.583  -2.034
  557   1HG2  ILE  44          1HG2      ILE  44  -3.808   5.278  -1.874
  558   2HG2  ILE  44          2HG2      ILE  44  -2.589   5.010  -3.121
  559   3HG2  ILE  44          3HG2      ILE  44  -2.101   5.527  -1.507
  560   1HD1  ILE  44          1HD1      ILE  44  -5.529   3.603  -2.911
  561   2HD1  ILE  44          2HD1      ILE  44  -5.184   3.636  -1.182
  562   3HD1  ILE  44          3HD1      ILE  44  -5.768   2.153  -1.936
  563    H    PHE  45           H        PHE  45  -0.004   4.926  -2.855
  564    HA   PHE  45           HA       PHE  45   0.905   6.046  -0.390
  565   1HB   PHE  45          1HB       PHE  45   2.482   4.163  -0.569
  566   2HB   PHE  45          2HB       PHE  45   2.958   4.711  -2.172
  567    HD1  PHE  45           HD1      PHE  45   5.143   5.409  -2.059
  568    HD2  PHE  45           HD2      PHE  45   2.449   6.568   1.025
  569    HE1  PHE  45           HE1      PHE  45   6.898   6.813  -1.058
  570    HE2  PHE  45           HE2      PHE  45   4.199   7.977   2.029
  571    HZ   PHE  45           HZ       PHE  45   6.426   8.100   0.988
  572    H    ALA  46           H        ALA  46   1.711   8.119  -0.644
  573    HA   ALA  46           HA       ALA  46   1.816  10.172  -1.627
  574   1HB   ALA  46          1HB       ALA  46   3.633   8.416  -2.966
  575   2HB   ALA  46          2HB       ALA  46   3.796  10.138  -2.622
  576   3HB   ALA  46          3HB       ALA  46   3.011   9.606  -4.109
  577    H    GLY  47           H        GLY  47  -0.633   8.852  -2.029
  578   1HA   GLY  47          1HA       GLY  47  -2.568   9.102  -3.225
  579   2HA   GLY  47          2HA       GLY  47  -1.779  10.446  -4.034
  580    H    LYS  48           H        LYS  48  -0.756   7.051  -4.097
  581    HA   LYS  48           HA       LYS  48  -1.912   6.565  -6.672
  582   1HB   LYS  48          1HB       LYS  48   0.208   6.295  -7.903
  583   2HB   LYS  48          2HB       LYS  48  -0.068   7.958  -7.407
  584   1HG   LYS  48          1HG       LYS  48   1.481   7.650  -5.535
  585   2HG   LYS  48          2HG       LYS  48   1.770   5.991  -6.059
  586   1HD   LYS  48          1HD       LYS  48   2.327   8.455  -7.709
  587   2HD   LYS  48          2HD       LYS  48   3.537   7.549  -6.800
  588   1HE   LYS  48          1HE       LYS  48   3.044   5.559  -8.146
  589   2HE   LYS  48          2HE       LYS  48   1.850   6.479  -9.060
  590   1HZ   LYS  48          1HZ       LYS  48   4.368   7.802  -9.015
  591   2HZ   LYS  48          2HZ       LYS  48   3.434   7.323 -10.341
  592   3HZ   LYS  48          3HZ       LYS  48   4.521   6.236  -9.635
  593    H    GLN  49           H        GLN  49  -2.268   4.462  -6.889
  594    HA   GLN  49           HA       GLN  49  -1.450   2.638  -4.874
  595   1HB   GLN  49          1HB       GLN  49  -2.623   0.937  -6.202
  596   2HB   GLN  49          2HB       GLN  49  -3.600   2.382  -5.993
  597   1HG   GLN  49          1HG       GLN  49  -1.943   1.972  -8.452
  598   2HG   GLN  49          2HG       GLN  49  -3.542   1.251  -8.293
  599   1HE2  GLN  49          1HE2      GLN  49  -4.018   3.850  -6.560
  600   2HE2  GLN  49          2HE2      GLN  49  -4.472   4.999  -7.766
  601    H    LEU  50           H        LEU  50   0.112   1.110  -4.850
  602    HA   LEU  50           HA       LEU  50   2.327   1.410  -6.599
  603   1HB   LEU  50          1HB       LEU  50   1.670  -0.665  -4.513
  604   2HB   LEU  50          2HB       LEU  50   3.165  -0.678  -5.427
  605    HG   LEU  50           HG       LEU  50   3.609   0.299  -3.295
  606   1HD1  LEU  50          1HD1      LEU  50   3.515   2.838  -4.737
  607   2HD1  LEU  50          2HD1      LEU  50   4.226   1.509  -5.653
  608   3HD1  LEU  50          3HD1      LEU  50   4.889   1.949  -4.080
  609   1HD2  LEU  50          1HD2      LEU  50   1.165   0.963  -2.944
  610   2HD2  LEU  50          2HD2      LEU  50   1.583   2.456  -3.785
  611   3HD2  LEU  50          3HD2      LEU  50   2.407   2.027  -2.286
  612    H    GLU  51           H        GLU  51   2.867   0.366  -8.413
  613    HA   GLU  51           HA       GLU  51   0.958  -1.214  -9.788
  614   1HB   GLU  51          1HB       GLU  51   3.844  -0.548 -10.328
  615   2HB   GLU  51          2HB       GLU  51   2.891  -1.544 -11.416
  616   1HG   GLU  51          1HG       GLU  51   2.937   0.738 -12.182
  617   2HG   GLU  51          2HG       GLU  51   1.304   0.279 -11.715
  618    H    ASP  52           H        ASP  52   2.741  -3.158 -10.977
  619    HA   ASP  52           HA       ASP  52   3.409  -4.940  -8.770
  620   1HB   ASP  52          1HB       ASP  52   2.196  -6.804  -9.857
  621   2HB   ASP  52          2HB       ASP  52   1.113  -5.522  -9.328
  622    H    GLY  53           H        GLY  53   5.183  -3.553 -10.363
  623   1HA   GLY  53          1HA       GLY  53   6.941  -5.520 -11.220
  624   2HA   GLY  53          2HA       GLY  53   6.049  -5.003 -12.643
  625    H    ARG  54           H        ARG  54   7.181  -3.123  -9.850
  626    HA   ARG  54           HA       ARG  54   9.058  -1.707 -11.594
  627   1HB   ARG  54          1HB       ARG  54   7.000  -0.354  -9.842
  628   2HB   ARG  54          2HB       ARG  54   8.285   0.462 -10.716
  629   1HG   ARG  54          1HG       ARG  54   6.056  -1.115 -11.980
  630   2HG   ARG  54          2HG       ARG  54   6.122   0.643 -11.849
  631   1HD   ARG  54          1HD       ARG  54   8.158   0.669 -13.200
  632   2HD   ARG  54          2HD       ARG  54   8.108  -1.089 -13.318
  633    HE   ARG  54           HE       ARG  54   5.677  -0.053 -14.254
  634   1HH1  ARG  54          1HH1      ARG  54   9.047  -0.162 -15.132
  635   2HH1  ARG  54          2HH1      ARG  54   8.741  -0.050 -16.833
  636   1HH2  ARG  54          1HH2      ARG  54   5.263   0.091 -16.491
  637   2HH2  ARG  54          2HH2      ARG  54   6.588   0.090 -17.606
  638    H    THR  55           H        THR  55  10.938  -1.229 -10.634
  639    HA   THR  55           HA       THR  55  11.564  -2.291  -8.092
  640    HB   THR  55           HB       THR  55  13.754  -1.209  -8.366
  641    HG1  THR  55           HG1      THR  55  12.840   0.717  -9.425
  642   1HG2  THR  55          1HG2      THR  55  13.845  -3.200  -9.488
  643   2HG2  THR  55          2HG2      THR  55  14.114  -2.103 -10.842
  644   3HG2  THR  55          3HG2      THR  55  12.510  -2.782 -10.562
  645    H    LEU  56           H        LEU  56  11.691  -1.393  -6.108
  646    HA   LEU  56           HA       LEU  56  10.242   0.932  -5.505
  647   1HB   LEU  56          1HB       LEU  56  12.308  -0.527  -3.856
  648   2HB   LEU  56          2HB       LEU  56  11.231   0.711  -3.238
  649    HG   LEU  56           HG       LEU  56  10.370  -1.955  -4.367
  650   1HD1  LEU  56          1HD1      LEU  56  11.519  -1.542  -1.956
  651   2HD1  LEU  56          2HD1      LEU  56  10.315  -2.789  -2.280
  652   3HD1  LEU  56          3HD1      LEU  56   9.824  -1.253  -1.565
  653   1HD2  LEU  56          1HD2      LEU  56   8.242  -1.263  -4.304
  654   2HD2  LEU  56          2HD2      LEU  56   8.918   0.366  -4.311
  655   3HD2  LEU  56          3HD2      LEU  56   8.473  -0.397  -2.785
  656    H    SER  57           H        SER  57  13.634   0.404  -6.168
  657    HA   SER  57           HA       SER  57  14.785   2.698  -5.152
  658   1HB   SER  57          1HB       SER  57  15.448   1.291  -7.751
  659   2HB   SER  57          2HB       SER  57  16.496   2.442  -6.922
  660    HG   SER  57           HG       SER  57  15.552   0.012  -5.799
  661    H    ASP  58           H        ASP  58  13.065   2.262  -8.212
  662    HA   ASP  58           HA       ASP  58  13.564   4.782  -9.322
  663   1HB   ASP  58          1HB       ASP  58  12.594   2.939 -10.612
  664   2HB   ASP  58          2HB       ASP  58  11.129   3.012  -9.639
  665    H    TYR  59           H        TYR  59  11.101   3.682  -7.061
  666    HA   TYR  59           HA       TYR  59   9.631   6.126  -7.037
  667   1HB   TYR  59          1HB       TYR  59   9.673   3.836  -5.058
  668   2HB   TYR  59          2HB       TYR  59   8.515   5.161  -5.040
  669    HD1  TYR  59           HD1      TYR  59   9.840   2.855  -7.685
  670    HD2  TYR  59           HD2      TYR  59   6.430   4.507  -5.750
  671    HE1  TYR  59           HE1      TYR  59   8.376   1.596  -9.204
  672    HE2  TYR  59           HE2      TYR  59   4.956   3.251  -7.265
  673    HH   TYR  59           HH       TYR  59   5.305   0.952  -8.689
  674    H    ASN  60           H        ASN  60  12.342   4.856  -5.240
  675    HA   ASN  60           HA       ASN  60  13.765   5.788  -3.732
  676   1HB   ASN  60          1HB       ASN  60  12.461   8.383  -4.588
  677   2HB   ASN  60          2HB       ASN  60  13.931   8.255  -3.628
  678   1HD2  ASN  60          1HD2      ASN  60  15.715   8.518  -4.734
  679   2HD2  ASN  60          2HD2      ASN  60  15.956   8.127  -6.400
  680    H    ILE  61           H        ILE  61  11.508   4.639  -2.732
  681    HA   ILE  61           HA       ILE  61   9.983   6.234  -0.986
  682    HB   ILE  61           HB       ILE  61  10.642   3.295  -0.759
  683   1HG1  ILE  61          1HG1      ILE  61   8.275   4.695  -2.022
  684   2HG1  ILE  61          2HG1      ILE  61   9.587   3.920  -2.902
  685   1HG2  ILE  61          1HG2      ILE  61   8.227   4.661   0.382
  686   2HG2  ILE  61          2HG2      ILE  61   9.730   4.527   1.295
  687   3HG2  ILE  61          3HG2      ILE  61   8.886   3.071   0.767
  688   1HD1  ILE  61          1HD1      ILE  61   7.316   2.717  -1.426
  689   2HD1  ILE  61          2HD1      ILE  61   8.842   1.834  -1.477
  690   3HD1  ILE  61          3HD1      ILE  61   8.027   2.273  -2.978
  691    H    GLN  62           H        GLN  62  10.300   6.945   1.041
  692    HA   GLN  62           HA       GLN  62  12.936   6.937   2.129
  693   1HB   GLN  62          1HB       GLN  62  10.328   7.866   3.343
  694   2HB   GLN  62          2HB       GLN  62  11.925   8.196   3.999
  695   1HG   GLN  62          1HG       GLN  62  12.498   9.442   1.978
  696   2HG   GLN  62          2HG       GLN  62  10.893   9.115   1.326
  697   1HE2  GLN  62          1HE2      GLN  62  12.693  11.404   2.745
  698   2HE2  GLN  62          2HE2      GLN  62  11.463  12.325   3.534
  699    H    LYS  63           H        LYS  63  13.658   6.024   4.084
  700    HA   LYS  63           HA       LYS  63  12.808   3.395   4.573
  701   1HB   LYS  63          1HB       LYS  63  15.098   4.178   4.978
  702   2HB   LYS  63          2HB       LYS  63  14.520   5.209   6.280
  703   1HG   LYS  63          1HG       LYS  63  13.810   3.260   7.532
  704   2HG   LYS  63          2HG       LYS  63  14.344   2.211   6.218
  705   1HD   LYS  63          1HD       LYS  63  16.644   3.034   6.522
  706   2HD   LYS  63          2HD       LYS  63  16.094   4.035   7.867
  707   1HE   LYS  63          1HE       LYS  63  15.403   2.036   9.084
  708   2HE   LYS  63          2HE       LYS  63  15.916   1.026   7.733
  709   1HZ   LYS  63          1HZ       LYS  63  18.167   2.287   8.155
  710   2HZ   LYS  63          2HZ       LYS  63  17.753   0.906   9.039
  711   3HZ   LYS  63          3HZ       LYS  63  17.534   2.439   9.718
  712    H    GLU  64           H        GLU  64  11.601   2.484   6.177
  713    HA   GLU  64           HA       GLU  64  10.018   2.270   7.789
  714   1HB   GLU  64          1HB       GLU  64  11.089   4.937   8.722
  715   2HB   GLU  64          2HB       GLU  64   9.982   3.922   9.635
  716   1HG   GLU  64          1HG       GLU  64  11.668   2.155   9.711
  717   2HG   GLU  64          2HG       GLU  64  12.778   3.182   8.805
  718    H    SER  65           H        SER  65   9.173   3.251   5.319
  719    HA   SER  65           HA       SER  65   7.281   5.393   5.890
  720   1HB   SER  65          1HB       SER  65   7.989   3.943   3.335
  721   2HB   SER  65          2HB       SER  65   6.705   5.147   3.442
  722    HG   SER  65           HG       SER  65   8.721   6.035   2.767
  723    H    THR  66           H        THR  66   5.063   5.185   5.811
  724    HA   THR  66           HA       THR  66   4.070   2.462   6.209
  725    HB   THR  66           HB       THR  66   2.703   5.111   6.730
  726    HG1  THR  66           HG1      THR  66   3.200   4.689   8.884
  727   1HG2  THR  66          1HG2      THR  66   1.321   3.398   8.217
  728   2HG2  THR  66          2HG2      THR  66   1.827   2.278   6.951
  729   3HG2  THR  66          3HG2      THR  66   0.899   3.719   6.535
  730    H    LEU  67           H        LEU  67   3.018   1.435   4.623
  731    HA   LEU  67           HA       LEU  67   2.035   3.016   2.354
  732   1HB   LEU  67          1HB       LEU  67   2.392   0.026   2.474
  733   2HB   LEU  67          2HB       LEU  67   2.137   1.011   1.047
  734    HG   LEU  67           HG       LEU  67   4.620   0.875   2.750
  735   1HD1  LEU  67          1HD1      LEU  67   5.567   0.295   0.439
  736   2HD1  LEU  67          2HD1      LEU  67   3.891  -0.013  -0.014
  737   3HD1  LEU  67          3HD1      LEU  67   4.635  -0.935   1.293
  738   1HD2  LEU  67          1HD2      LEU  67   3.673   3.121   1.369
  739   2HD2  LEU  67          2HD2      LEU  67   4.925   2.415   0.347
  740   3HD2  LEU  67          3HD2      LEU  67   5.293   2.856   2.015
  741    H    HIS  68           H        HIS  68  -0.071   3.226   1.965
  742    HA   HIS  68           HA       HIS  68  -2.005   2.223   3.784
  743   1HB   HIS  68          1HB       HIS  68  -2.367   3.537   1.084
  744   2HB   HIS  68          2HB       HIS  68  -3.651   3.263   2.258
  745    HD1  HIS  68           HD1      HIS  68  -2.831   4.361   4.777
  746    HD2  HIS  68           HD2      HIS  68  -1.502   6.086   1.238
  747    HE1  HIS  68           HE1      HIS  68  -2.150   6.703   5.386
  748    HE2  HIS  68           HE2      HIS  68  -1.243   7.689   3.252
  749    H    LEU  69           H        LEU  69  -3.485   0.585   3.584
  750    HA   LEU  69           HA       LEU  69  -3.229  -1.142   1.213
  751   1HB   LEU  69          1HB       LEU  69  -2.061  -2.185   3.060
  752   2HB   LEU  69          2HB       LEU  69  -3.459  -1.988   4.099
  753    HG   LEU  69           HG       LEU  69  -4.718  -3.596   2.773
  754   1HD1  LEU  69          1HD1      LEU  69  -4.199  -4.039   0.670
  755   2HD1  LEU  69          2HD1      LEU  69  -2.660  -4.732   1.181
  756   3HD1  LEU  69          3HD1      LEU  69  -2.771  -3.013   0.805
  757   1HD2  LEU  69          1HD2      LEU  69  -2.010  -4.420   3.763
  758   2HD2  LEU  69          2HD2      LEU  69  -3.152  -5.599   3.118
  759   3HD2  LEU  69          3HD2      LEU  69  -3.584  -4.634   4.529
  760    H    VAL  70           H        VAL  70  -5.074  -1.972   0.358
  761    HA   VAL  70           HA       VAL  70  -7.607  -1.557   1.775
  762    HB   VAL  70           HB       VAL  70  -7.089  -0.645  -1.062
  763   1HG1  VAL  70          1HG1      VAL  70  -9.296  -1.570  -0.924
  764   2HG1  VAL  70          2HG1      VAL  70  -9.430   0.190  -0.960
  765   3HG1  VAL  70          3HG1      VAL  70  -9.627  -0.682   0.563
  766   1HG2  VAL  70          1HG2      VAL  70  -7.644   0.895   1.467
  767   2HG2  VAL  70          2HG2      VAL  70  -7.720   1.593  -0.152
  768   3HG2  VAL  70          3HG2      VAL  70  -6.193   0.958   0.466
  769    H    LEU  71           H        LEU  71  -8.858  -3.310   1.652
  770    HA   LEU  71           HA       LEU  71  -8.063  -5.550   0.040
  771   1HB   LEU  71          1HB       LEU  71 -10.518  -5.171   1.760
  772   2HB   LEU  71          2HB       LEU  71  -9.975  -6.691   1.075
  773    HG   LEU  71           HG       LEU  71  -8.500  -5.064   3.150
  774   1HD1  LEU  71          1HD1      LEU  71 -10.674  -6.506   3.641
  775   2HD1  LEU  71          2HD1      LEU  71  -9.308  -6.453   4.755
  776   3HD1  LEU  71          3HD1      LEU  71  -9.490  -7.813   3.647
  777   1HD2  LEU  71          1HD2      LEU  71  -7.832  -7.694   1.836
  778   2HD2  LEU  71          2HD2      LEU  71  -7.033  -7.068   3.278
  779   3HD2  LEU  71          3HD2      LEU  71  -6.910  -6.193   1.751
  780    H    ARG  72           H        ARG  72  -8.813  -6.128  -1.907
  781    HA   ARG  72           HA       ARG  72 -10.393  -4.389  -3.444
  782   1HB   ARG  72          1HB       ARG  72  -8.784  -5.950  -4.437
  783   2HB   ARG  72          2HB       ARG  72  -9.776  -7.309  -3.927
  784   1HG   ARG  72          1HG       ARG  72 -11.587  -6.525  -5.379
  785   2HG   ARG  72          2HG       ARG  72 -10.573  -5.179  -5.902
  786   1HD   ARG  72          1HD       ARG  72  -8.932  -6.775  -6.787
  787   2HD   ARG  72          2HD       ARG  72  -9.967  -8.110  -6.282
  788    HE   ARG  72           HE       ARG  72 -10.197  -6.637  -8.666
  789   1HH1  ARG  72          1HH1      ARG  72 -12.178  -8.004  -6.144
  790   2HH1  ARG  72          2HH1      ARG  72 -13.569  -8.185  -7.160
  791   1HH2  ARG  72          1HH2      ARG  72 -12.025  -6.873 -10.007
  792   2HH2  ARG  72          2HH2      ARG  72 -13.483  -7.543  -9.354
  793    H    LEU  73           H        LEU  73 -12.483  -4.042  -3.400
  794    HA   LEU  73           HA       LEU  73 -14.696  -4.233  -2.923
  795   1HB   LEU  73          1HB       LEU  73 -14.295  -5.718  -4.954
  796   2HB   LEU  73          2HB       LEU  73 -14.387  -7.078  -3.851
  797    HG   LEU  73           HG       LEU  73 -16.685  -6.510  -3.280
  798   1HD1  LEU  73          1HD1      LEU  73 -17.703  -4.704  -4.914
  799   2HD1  LEU  73          2HD1      LEU  73 -16.060  -4.065  -4.852
  800   3HD1  LEU  73          3HD1      LEU  73 -16.991  -4.250  -3.365
  801   1HD2  LEU  73          1HD2      LEU  73 -16.495  -7.994  -5.109
  802   2HD2  LEU  73          2HD2      LEU  73 -16.056  -6.692  -6.215
  803   3HD2  LEU  73          3HD2      LEU  73 -17.698  -6.792  -5.578
  804    H    ARG  74           H        ARG  74 -15.692  -7.161  -2.315
  805    HA   ARG  74           HA       ARG  74 -16.381  -8.262  -0.452
  806   1HB   ARG  74          1HB       ARG  74 -13.619  -7.518   0.533
  807   2HB   ARG  74          2HB       ARG  74 -14.660  -8.740   1.247
  808   1HG   ARG  74          1HG       ARG  74 -13.627  -8.849  -1.578
  809   2HG   ARG  74          2HG       ARG  74 -12.853  -9.637  -0.204
  810   1HD   ARG  74          1HD       ARG  74 -14.182 -11.272  -1.313
  811   2HD   ARG  74          2HD       ARG  74 -14.995 -10.864   0.195
  812    HE   ARG  74           HE       ARG  74 -16.027  -9.257  -1.865
  813   1HH1  ARG  74          1HH1      ARG  74 -15.997 -12.575  -0.806
  814   2HH1  ARG  74          2HH1      ARG  74 -17.528 -12.954  -1.521
  815   1HH2  ARG  74          1HH2      ARG  74 -18.047  -9.747  -2.811
  816   2HH2  ARG  74          2HH2      ARG  74 -18.695 -11.346  -2.657
  817    H    GLY  75           H        GLY  75 -17.187  -5.588  -0.639
  818   1HA   GLY  75          1HA       GLY  75 -16.739  -4.044   1.659
  819   2HA   GLY  75          2HA       GLY  75 -18.143  -3.921   0.612
  820    H    GLY  76           H        GLY  76 -17.501  -4.077   3.675
  821   1HA   GLY  76          1HA       GLY  76 -18.652  -4.750   5.541
  822   2HA   GLY  76          2HA       GLY  76 -20.009  -5.053   4.467
  Start of MODEL    5
    1   1H    TYR 255          1H        TYR 255 -24.531  -4.667   2.603
    2   2H    TYR 255          2H        TYR 255 -25.636  -4.974   3.846
    3   3H    TYR 255          3H        TYR 255 -24.261  -5.945   3.680
    4    HA   TYR 255           HA       TYR 255 -24.575  -3.569   5.145
    5   1HB   TYR 255          1HB       TYR 255 -22.333  -5.538   4.676
    6   2HB   TYR 255          2HB       TYR 255 -22.212  -4.218   5.832
    7    HD1  TYR 255           HD1      TYR 255 -24.987  -6.613   5.055
    8    HD2  TYR 255           HD2      TYR 255 -22.270  -5.098   7.957
    9    HE1  TYR 255           HE1      TYR 255 -26.048  -8.017   6.772
   10    HE2  TYR 255           HE2      TYR 255 -23.321  -6.498   9.682
   11    HH   TYR 255           HH       TYR 255 -24.686  -8.366   9.957
   12    HA   PRO 256           HA       PRO 256 -22.784  -0.568   2.388
   13   1HB   PRO 256          1HB       PRO 256 -22.243   1.011   4.813
   14   2HB   PRO 256          2HB       PRO 256 -23.286   1.389   3.440
   15   1HG   PRO 256          1HG       PRO 256 -24.293   0.765   5.851
   16   2HG   PRO 256          2HG       PRO 256 -25.102   0.289   4.346
   17   1HD   PRO 256          1HD       PRO 256 -23.391  -1.350   6.181
   18   2HD   PRO 256          2HD       PRO 256 -24.902  -1.791   5.356
   19    H    GLU 257           H        GLU 257 -20.825   1.209   4.013
   20    HA   GLU 257           HA       GLU 257 -18.574   1.404   4.237
   21   1HB   GLU 257          1HB       GLU 257 -18.789  -1.521   4.971
   22   2HB   GLU 257          2HB       GLU 257 -17.366  -0.521   5.230
   23   1HG   GLU 257          1HG       GLU 257 -20.072  -0.080   6.471
   24   2HG   GLU 257          2HG       GLU 257 -18.673  -0.795   7.269
   25    H    ASP 258           H        ASP 258 -19.075   1.430   1.714
   26    HA   ASP 258           HA       ASP 258 -18.166  -0.658   0.090
   27   1HB   ASP 258          1HB       ASP 258 -18.141   2.317  -0.464
   28   2HB   ASP 258          2HB       ASP 258 -17.958   1.054  -1.677
   29    H    GLU 259           H        GLU 259 -16.420   1.725   1.908
   30    HA   GLU 259           HA       GLU 259 -13.997   1.746   0.516
   31   1HB   GLU 259          1HB       GLU 259 -14.564   3.371   2.249
   32   2HB   GLU 259          2HB       GLU 259 -14.499   2.109   3.472
   33   1HG   GLU 259          1HG       GLU 259 -12.125   1.794   3.026
   34   2HG   GLU 259          2HG       GLU 259 -12.189   3.051   1.793
   35    H    GLU 260           H        GLU 260 -14.941  -0.259   3.332
   36    HA   GLU 260           HA       GLU 260 -12.529  -1.664   3.505
   37   1HB   GLU 260          1HB       GLU 260 -13.776  -3.366   4.782
   38   2HB   GLU 260          2HB       GLU 260 -14.115  -1.733   5.329
   39   1HG   GLU 260          1HG       GLU 260 -16.158  -2.903   5.339
   40   2HG   GLU 260          2HG       GLU 260 -16.207  -1.810   3.960
   41    H    GLU 261           H        GLU 261 -15.170  -1.982   1.308
   42    HA   GLU 261           HA       GLU 261 -14.777  -4.632   0.457
   43   1HB   GLU 261          1HB       GLU 261 -16.775  -3.345  -0.118
   44   2HB   GLU 261          2HB       GLU 261 -15.807  -2.241  -1.083
   45   1HG   GLU 261          1HG       GLU 261 -15.257  -4.039  -2.619
   46   2HG   GLU 261          2HG       GLU 261 -16.185  -5.173  -1.640
   47    H    LEU 262           H        LEU 262 -13.489  -1.567  -0.820
   48    HA   LEU 262           HA       LEU 262 -11.902  -2.765  -2.834
   49   1HB   LEU 262          1HB       LEU 262 -11.809  -0.081  -1.477
   50   2HB   LEU 262          2HB       LEU 262 -10.640  -0.536  -2.700
   51    HG   LEU 262           HG       LEU 262 -12.407   0.833  -3.660
   52   1HD1  LEU 262          1HD1      LEU 262 -12.787  -1.986  -4.627
   53   2HD1  LEU 262          2HD1      LEU 262 -11.328  -1.047  -4.947
   54   3HD1  LEU 262          3HD1      LEU 262 -12.887  -0.490  -5.554
   55   1HD2  LEU 262          1HD2      LEU 262 -14.201   0.243  -2.093
   56   2HD2  LEU 262          2HD2      LEU 262 -14.298  -1.361  -2.820
   57   3HD2  LEU 262          3HD2      LEU 262 -14.708   0.066  -3.773
   58    H    ILE 263           H        ILE 263 -11.204  -1.691   0.469
   59    HA   ILE 263           HA       ILE 263  -8.462  -2.180   0.514
   60    HB   ILE 263           HB       ILE 263 -10.558  -2.188   2.645
   61   1HG1  ILE 263          1HG1      ILE 263  -8.134  -0.450   2.191
   62   2HG1  ILE 263          2HG1      ILE 263  -9.774  -0.050   1.695
   63   1HG2  ILE 263          1HG2      ILE 263  -7.895  -3.378   2.832
   64   2HG2  ILE 263          2HG2      ILE 263  -9.298  -3.566   3.885
   65   3HG2  ILE 263          3HG2      ILE 263  -8.232  -2.174   4.076
   66   1HD1  ILE 263          1HD1      ILE 263 -10.164  -0.525   4.317
   67   2HD1  ILE 263          2HD1      ILE 263  -9.801   1.063   3.639
   68   3HD1  ILE 263          3HD1      ILE 263  -8.510   0.086   4.339
   69    H    ARG 264           H        ARG 264 -11.129  -4.403   1.388
   70    HA   ARG 264           HA       ARG 264  -9.454  -6.564   2.038
   71   1HB   ARG 264          1HB       ARG 264 -11.413  -7.982   1.867
   72   2HB   ARG 264          2HB       ARG 264 -11.792  -6.503   2.735
   73   1HG   ARG 264          1HG       ARG 264 -12.848  -5.592   0.731
   74   2HG   ARG 264          2HG       ARG 264 -12.463  -7.075  -0.144
   75   1HD   ARG 264          1HD       ARG 264 -13.830  -8.353   1.441
   76   2HD   ARG 264          2HD       ARG 264 -14.225  -6.864   2.296
   77    HE   ARG 264           HE       ARG 264 -15.849  -6.512   0.745
   78   1HH1  ARG 264          1HH1      ARG 264 -13.403  -8.534  -0.698
   79   2HH1  ARG 264          2HH1      ARG 264 -14.255  -8.715  -2.195
   80   1HH2  ARG 264          1HH2      ARG 264 -16.976  -6.747  -1.221
   81   2HH2  ARG 264          2HH2      ARG 264 -16.285  -7.700  -2.492
   82    H    LYS 265           H        LYS 265 -10.872  -5.528  -1.037
   83    HA   LYS 265           HA       LYS 265 -10.275  -7.788  -2.566
   84   1HB   LYS 265          1HB       LYS 265 -10.189  -4.861  -3.324
   85   2HB   LYS 265          2HB       LYS 265 -10.013  -6.167  -4.487
   86   1HG   LYS 265          1HG       LYS 265 -12.254  -6.978  -3.884
   87   2HG   LYS 265          2HG       LYS 265 -12.425  -5.617  -2.773
   88   1HD   LYS 265          1HD       LYS 265 -12.189  -4.054  -4.625
   89   2HD   LYS 265          2HD       LYS 265 -11.961  -5.397  -5.747
   90   1HE   LYS 265          1HE       LYS 265 -14.210  -6.209  -5.217
   91   2HE   LYS 265          2HE       LYS 265 -14.432  -4.857  -4.109
   92   1HZ   LYS 265          1HZ       LYS 265 -13.977  -3.400  -6.114
   93   2HZ   LYS 265          2HZ       LYS 265 -15.463  -4.207  -6.085
   94   3HZ   LYS 265          3HZ       LYS 265 -14.206  -4.787  -7.056
   95    H    ALA 266           H        ALA 266  -8.323  -4.990  -1.690
   96    HA   ALA 266           HA       ALA 266  -5.956  -5.764  -3.024
   97   1HB   ALA 266          1HB       ALA 266  -4.909  -4.214  -1.223
   98   2HB   ALA 266          2HB       ALA 266  -6.584  -3.872  -0.789
   99   3HB   ALA 266          3HB       ALA 266  -6.006  -3.522  -2.418
  100    H    ILE 267           H        ILE 267  -7.332  -6.512   0.113
  101    HA   ILE 267           HA       ILE 267  -5.094  -7.620   1.365
  102    HB   ILE 267           HB       ILE 267  -7.999  -8.359   1.696
  103   1HG1  ILE 267          1HG1      ILE 267  -7.508  -6.004   2.192
  104   2HG1  ILE 267          2HG1      ILE 267  -7.915  -6.889   3.658
  105   1HG2  ILE 267          1HG2      ILE 267  -5.555  -9.145   3.243
  106   2HG2  ILE 267          2HG2      ILE 267  -6.848 -10.167   2.614
  107   3HG2  ILE 267          3HG2      ILE 267  -7.150  -9.113   3.995
  108   1HD1  ILE 267          1HD1      ILE 267  -5.164  -7.093   3.496
  109   2HD1  ILE 267          2HD1      ILE 267  -6.084  -6.011   4.541
  110   3HD1  ILE 267          3HD1      ILE 267  -5.510  -5.446   2.972
  111    H    GLU 268           H        GLU 268  -7.696  -9.273  -0.421
  112    HA   GLU 268           HA       GLU 268  -6.586 -11.841  -0.292
  113   1HB   GLU 268          1HB       GLU 268  -8.936 -11.381  -0.882
  114   2HB   GLU 268          2HB       GLU 268  -8.408 -10.706  -2.416
  115   1HG   GLU 268          1HG       GLU 268  -9.209 -12.945  -2.750
  116   2HG   GLU 268          2HG       GLU 268  -7.470 -12.892  -3.033
  117    H    LEU 269           H        LEU 269  -6.373  -9.370  -2.843
  118    HA   LEU 269           HA       LEU 269  -4.866 -10.859  -4.663
  119   1HB   LEU 269          1HB       LEU 269  -4.808  -7.879  -4.183
  120   2HB   LEU 269          2HB       LEU 269  -4.166  -8.688  -5.599
  121    HG   LEU 269           HG       LEU 269  -7.073  -8.606  -4.781
  122   1HD1  LEU 269          1HD1      LEU 269  -5.430  -6.791  -6.260
  123   2HD1  LEU 269          2HD1      LEU 269  -7.142  -6.668  -5.855
  124   3HD1  LEU 269          3HD1      LEU 269  -6.641  -7.501  -7.327
  125   1HD2  LEU 269          1HD2      LEU 269  -7.593  -9.897  -6.636
  126   2HD2  LEU 269          2HD2      LEU 269  -6.144 -10.684  -6.011
  127   3HD2  LEU 269          3HD2      LEU 269  -6.032  -9.606  -7.402
  128    H    SER 270           H        SER 270  -3.867  -8.893  -1.914
  129    HA   SER 270           HA       SER 270  -1.100  -8.931  -2.390
  130   1HB   SER 270          1HB       SER 270  -2.141  -7.420  -0.757
  131   2HB   SER 270          2HB       SER 270  -2.572  -8.799   0.254
  132    HG   SER 270           HG       SER 270  -0.159  -9.208   0.132
  133    H    LEU 271           H        LEU 271  -3.162 -11.087  -0.458
  134    HA   LEU 271           HA       LEU 271  -1.118 -12.770   0.474
  135   1HB   LEU 271          1HB       LEU 271  -4.028 -13.365  -0.046
  136   2HB   LEU 271          2HB       LEU 271  -2.941 -14.432   0.821
  137    HG   LEU 271           HG       LEU 271  -3.721 -11.646   1.691
  138   1HD1  LEU 271          1HD1      LEU 271  -4.651 -13.196   3.624
  139   2HD1  LEU 271          2HD1      LEU 271  -4.759 -14.358   2.302
  140   3HD1  LEU 271          3HD1      LEU 271  -5.607 -12.816   2.192
  141   1HD2  LEU 271          1HD2      LEU 271  -1.476 -12.184   2.415
  142   2HD2  LEU 271          2HD2      LEU 271  -2.017 -13.748   3.025
  143   3HD2  LEU 271          3HD2      LEU 271  -2.578 -12.261   3.791
  144    H    LYS 272           H        LYS 272  -3.142 -12.975  -2.425
  145    HA   LYS 272           HA       LYS 272  -2.277 -15.473  -3.335
  146   1HB   LYS 272          1HB       LYS 272  -3.180 -13.082  -4.949
  147   2HB   LYS 272          2HB       LYS 272  -3.061 -14.728  -5.554
  148   1HG   LYS 272          1HG       LYS 272  -4.881 -13.792  -3.345
  149   2HG   LYS 272          2HG       LYS 272  -5.358 -14.138  -5.008
  150   1HD   LYS 272          1HD       LYS 272  -4.661 -16.469  -4.718
  151   2HD   LYS 272          2HD       LYS 272  -4.188 -16.119  -3.054
  152   1HE   LYS 272          1HE       LYS 272  -6.495 -15.533  -2.516
  153   2HE   LYS 272          2HE       LYS 272  -6.973 -15.855  -4.182
  154   1HZ   LYS 272          1HZ       LYS 272  -5.907 -18.168  -3.657
  155   2HZ   LYS 272          2HZ       LYS 272  -7.498 -17.828  -3.195
  156   3HZ   LYS 272          3HZ       LYS 272  -6.250 -17.739  -2.057
  157    H    GLU 273           H        GLU 273  -1.019 -12.228  -4.030
  158    HA   GLU 273           HA       GLU 273   0.968 -13.024  -5.850
  159   1HB   GLU 273          1HB       GLU 273   0.227 -10.700  -5.616
  160   2HB   GLU 273          2HB       GLU 273   0.914 -10.634  -3.999
  161   1HG   GLU 273          1HG       GLU 273   2.378  -9.527  -5.545
  162   2HG   GLU 273          2HG       GLU 273   3.149 -10.996  -4.953
  163    H    SER 274           H        SER 274   1.258 -12.232  -2.383
  164    HA   SER 274           HA       SER 274   3.931 -13.353  -2.307
  165   1HB   SER 274          1HB       SER 274   3.468 -11.301  -1.051
  166   2HB   SER 274          2HB       SER 274   2.234 -12.139  -0.112
  167    HG   SER 274           HG       SER 274   4.988 -12.224   0.097
  168    H    ARG 275           H        ARG 275   1.952 -15.238  -2.983
  169    HA   ARG 275           HA       ARG 275   1.103 -16.750  -0.734
  170   1HB   ARG 275          1HB       ARG 275   0.084 -16.850  -3.031
  171   2HB   ARG 275          2HB       ARG 275   1.507 -17.729  -3.569
  172   1HG   ARG 275          1HG       ARG 275  -0.227 -18.707  -1.320
  173   2HG   ARG 275          2HG       ARG 275  -0.555 -19.094  -3.008
  174   1HD   ARG 275          1HD       ARG 275   1.648 -20.127  -3.206
  175   2HD   ARG 275          2HD       ARG 275   2.001 -19.716  -1.529
  176    HE   ARG 275           HE       ARG 275   0.912 -21.620  -0.943
  177   1HH1  ARG 275          1HH1      ARG 275  -0.392 -20.536  -3.990
  178   2HH1  ARG 275          2HH1      ARG 275  -1.493 -21.866  -4.135
  179   1HH2  ARG 275          1HH2      ARG 275  -0.532 -23.373  -1.133
  180   2HH2  ARG 275          2HH2      ARG 275  -1.576 -23.473  -2.512
  181    H    ASN 276           H        ASN 276   3.792 -17.137  -3.029
  182    HA   ASN 276           HA       ASN 276   4.880 -19.454  -1.870
  183   1HB   ASN 276          1HB       ASN 276   6.256 -17.271  -3.450
  184   2HB   ASN 276          2HB       ASN 276   6.946 -18.851  -3.098
  185   1HD2  ASN 276          1HD2      ASN 276   3.754 -19.412  -3.477
  186   2HD2  ASN 276          2HD2      ASN 276   3.713 -19.777  -5.163
  187    H    SER 277           H        SER 277   5.644 -16.024  -1.380
  188    HA   SER 277           HA       SER 277   7.592 -16.607   0.663
  189   1HB   SER 277          1HB       SER 277   6.374 -13.977  -0.216
  190   2HB   SER 277          2HB       SER 277   7.733 -14.146   0.896
  191    HG   SER 277           HG       SER 277   8.828 -14.014  -0.911
  192    H    ALA 278           H        ALA 278   5.148 -17.759   1.314
  193    HA   ALA 278           HA       ALA 278   3.521 -16.203   3.000
  194   1HB   ALA 278          1HB       ALA 278   2.374 -18.117   3.405
  195   2HB   ALA 278          2HB       ALA 278   3.835 -19.083   3.609
  196   3HB   ALA 278          3HB       ALA 278   3.279 -18.657   1.991
  197   1H    MET   1          1H        MET   1  14.600   1.027   0.006
  198   2H    MET   1          2H        MET   1  14.409  -0.641   0.199
  199   3H    MET   1          3H        MET   1  13.115   0.298  -0.352
  200    HA   MET   1           HA       MET   1  15.469   0.565  -1.970
  201   1HB   MET   1          1HB       MET   1  15.574  -1.629  -2.828
  202   2HB   MET   1          2HB       MET   1  15.492  -1.848  -1.087
  203   1HG   MET   1          1HG       MET   1  13.311  -2.263  -3.110
  204   2HG   MET   1          2HG       MET   1  14.070  -3.462  -2.068
  205   1HE   MET   1          1HE       MET   1  13.942  -1.877   0.929
  206   2HE   MET   1          2HE       MET   1  13.863  -3.563   0.414
  207   3HE   MET   1          3HE       MET   1  12.554  -2.870   1.373
  208    H    GLN   2           H        GLN   2  14.265  -0.802  -4.192
  209    HA   GLN   2           HA       GLN   2  12.278   1.166  -4.908
  210   1HB   GLN   2          1HB       GLN   2  13.400  -1.184  -6.448
  211   2HB   GLN   2          2HB       GLN   2  12.292   0.007  -7.112
  212   1HG   GLN   2          1HG       GLN   2  14.533   0.513  -7.804
  213   2HG   GLN   2          2HG       GLN   2  13.965   1.762  -6.697
  214   1HE2  GLN   2          1HE2      GLN   2  15.462   2.408  -5.346
  215   2HE2  GLN   2          2HE2      GLN   2  16.716   1.437  -4.662
  216    H    ILE   3           H        ILE   3  10.105   0.882  -4.983
  217    HA   ILE   3           HA       ILE   3   9.006  -1.820  -4.845
  218    HB   ILE   3           HB       ILE   3   7.506  -1.262  -2.979
  219   1HG1  ILE   3          1HG1      ILE   3   9.193   1.239  -2.718
  220   2HG1  ILE   3          2HG1      ILE   3   7.520   1.191  -3.265
  221   1HG2  ILE   3          1HG2      ILE   3  10.031  -0.709  -1.649
  222   2HG2  ILE   3          2HG2      ILE   3  10.149  -2.005  -2.839
  223   3HG2  ILE   3          3HG2      ILE   3   8.970  -2.112  -1.532
  224   1HD1  ILE   3          1HD1      ILE   3   8.192   1.749  -0.764
  225   2HD1  ILE   3          2HD1      ILE   3   8.113  -0.008  -0.628
  226   3HD1  ILE   3          3HD1      ILE   3   6.703   0.899  -1.175
  227    H    PHE   4           H        PHE   4   7.072  -2.044  -5.841
  228    HA   PHE   4           HA       PHE   4   6.090   0.254  -7.324
  229   1HB   PHE   4          1HB       PHE   4   5.655  -2.698  -7.500
  230   2HB   PHE   4          2HB       PHE   4   4.472  -1.613  -8.220
  231    HD1  PHE   4           HD1      PHE   4   4.917  -0.457 -10.228
  232    HD2  PHE   4           HD2      PHE   4   7.988  -2.711  -8.328
  233    HE1  PHE   4           HE1      PHE   4   6.288  -0.286 -12.260
  234    HE2  PHE   4           HE2      PHE   4   9.371  -2.542 -10.358
  235    HZ   PHE   4           HZ       PHE   4   8.521  -1.331 -12.327
  236    H    VAL   5           H        VAL   5   3.758   0.588  -7.558
  237    HA   VAL   5           HA       VAL   5   2.128  -0.167  -5.255
  238    HB   VAL   5           HB       VAL   5   2.526   2.713  -6.095
  239   1HG1  VAL   5          1HG1      VAL   5   0.292   1.469  -4.922
  240   2HG1  VAL   5          2HG1      VAL   5   0.589   3.195  -5.125
  241   3HG1  VAL   5          3HG1      VAL   5   1.090   2.382  -3.642
  242   1HG2  VAL   5          1HG2      VAL   5   4.310   1.537  -4.653
  243   2HG2  VAL   5          2HG2      VAL   5   3.094   1.586  -3.377
  244   3HG2  VAL   5          3HG2      VAL   5   3.672   3.086  -4.102
  245    H    LYS   6           H        LYS   6   0.108  -0.680  -5.900
  246    HA   LYS   6           HA       LYS   6  -0.723   0.220  -8.580
  247   1HB   LYS   6          1HB       LYS   6  -1.607  -2.310  -7.195
  248   2HB   LYS   6          2HB       LYS   6  -1.938  -1.837  -8.855
  249   1HG   LYS   6          1HG       LYS   6   0.513  -1.952  -9.297
  250   2HG   LYS   6          2HG       LYS   6   0.715  -2.618  -7.675
  251   1HD   LYS   6          1HD       LYS   6  -0.860  -3.815  -9.953
  252   2HD   LYS   6          2HD       LYS   6   0.638  -4.431  -9.255
  253   1HE   LYS   6          1HE       LYS   6  -0.543  -4.771  -7.111
  254   2HE   LYS   6          2HE       LYS   6  -2.039  -4.233  -7.877
  255   1HZ   LYS   6          1HZ       LYS   6  -0.465  -6.671  -8.480
  256   2HZ   LYS   6          2HZ       LYS   6  -1.681  -6.095  -9.504
  257   3HZ   LYS   6          3HZ       LYS   6  -2.062  -6.573  -7.927
  258    H    THR   7           H        THR   7  -2.613   1.222  -8.811
  259    HA   THR   7           HA       THR   7  -4.116   1.934  -6.457
  260    HB   THR   7           HB       THR   7  -5.494   3.287  -7.993
  261    HG1  THR   7           HG1      THR   7  -3.755   2.563 -10.101
  262   1HG2  THR   7          1HG2      THR   7  -3.819   4.676  -7.380
  263   2HG2  THR   7          2HG2      THR   7  -3.319   4.491  -9.061
  264   3HG2  THR   7          3HG2      THR   7  -2.560   3.515  -7.803
  265    H    LEU   8           H        LEU   8  -6.432   1.630  -6.276
  266    HA   LEU   8           HA       LEU   8  -7.312  -0.947  -6.390
  267   1HB   LEU   8          1HB       LEU   8  -8.905   1.600  -6.606
  268   2HB   LEU   8          2HB       LEU   8  -9.641   0.023  -6.387
  269    HG   LEU   8           HG       LEU   8  -7.671   1.250  -4.457
  270   1HD1  LEU   8          1HD1      LEU   8 -10.682   1.136  -4.359
  271   2HD1  LEU   8          2HD1      LEU   8  -9.685   2.585  -4.502
  272   3HD1  LEU   8          3HD1      LEU   8  -9.639   1.625  -3.023
  273   1HD2  LEU   8          1HD2      LEU   8  -9.576  -0.967  -3.844
  274   2HD2  LEU   8          2HD2      LEU   8  -8.039  -0.561  -3.080
  275   3HD2  LEU   8          3HD2      LEU   8  -8.059  -1.320  -4.671
  276    H    THR   9           H        THR   9  -7.501   1.467  -8.945
  277    HA   THR   9           HA       THR   9  -9.194   0.064 -10.694
  278    HB   THR   9           HB       THR   9  -8.266   1.492 -12.479
  279    HG1  THR   9           HG1      THR   9  -6.231   2.018 -12.168
  280   1HG2  THR   9          1HG2      THR   9  -9.942   2.267 -10.652
  281   2HG2  THR   9          2HG2      THR   9  -9.204   3.471 -11.708
  282   3HG2  THR   9          3HG2      THR   9  -8.592   3.241 -10.070
  283    H    GLY  10           H        GLY  10  -5.622   0.189 -10.545
  284   1HA   GLY  10          1HA       GLY  10  -4.912  -2.332 -10.970
  285   2HA   GLY  10          2HA       GLY  10  -5.470  -1.898 -12.578
  286    H    LYS  11           H        LYS  11  -4.517   0.877 -12.289
  287    HA   LYS  11           HA       LYS  11  -2.138   0.787 -13.603
  288   1HB   LYS  11          1HB       LYS  11  -3.457   2.832 -13.321
  289   2HB   LYS  11          2HB       LYS  11  -3.001   2.904 -11.625
  290   1HG   LYS  11          1HG       LYS  11  -1.686   4.471 -12.894
  291   2HG   LYS  11          2HG       LYS  11  -0.650   3.177 -12.291
  292   1HD   LYS  11          1HD       LYS  11  -0.712   2.090 -14.466
  293   2HD   LYS  11          2HD       LYS  11  -1.791   3.347 -15.077
  294   1HE   LYS  11          1HE       LYS  11  -0.055   5.023 -14.695
  295   2HE   LYS  11          2HE       LYS  11   1.020   3.774 -14.069
  296   1HZ   LYS  11          1HZ       LYS  11   1.267   2.831 -16.159
  297   2HZ   LYS  11          2HZ       LYS  11   1.277   4.489 -16.493
  298   3HZ   LYS  11          3HZ       LYS  11  -0.117   3.576 -16.785
  299    H    THR  12           H        THR  12   0.004   0.680 -13.144
  300    HA   THR  12           HA       THR  12   0.800   0.343 -10.325
  301    HB   THR  12           HB       THR  12   1.871  -1.298 -12.632
  302    HG1  THR  12           HG1      THR  12   0.503  -2.867 -12.019
  303   1HG2  THR  12          1HG2      THR  12   2.370  -2.545 -10.179
  304   2HG2  THR  12          2HG2      THR  12   2.760  -0.844  -9.924
  305   3HG2  THR  12          3HG2      THR  12   3.543  -1.743 -11.224
  306    H    ILE  13           H        ILE  13   2.702   1.330  -9.742
  307    HA   ILE  13           HA       ILE  13   4.479   2.338 -11.827
  308    HB   ILE  13           HB       ILE  13   3.079   4.141  -9.859
  309   1HG1  ILE  13          1HG1      ILE  13   3.222   4.131 -12.881
  310   2HG1  ILE  13          2HG1      ILE  13   1.829   3.664 -11.909
  311   1HG2  ILE  13          1HG2      ILE  13   5.315   4.880  -9.816
  312   2HG2  ILE  13          2HG2      ILE  13   4.489   5.946 -10.952
  313   3HG2  ILE  13          3HG2      ILE  13   5.512   4.640 -11.552
  314   1HD1  ILE  13          1HD1      ILE  13   3.058   6.403 -11.940
  315   2HD1  ILE  13          2HD1      ILE  13   1.583   5.911 -11.108
  316   3HD1  ILE  13          3HD1      ILE  13   1.642   5.916 -12.871
  317    H    THR  14           H        THR  14   6.553   2.690 -11.211
  318    HA   THR  14           HA       THR  14   7.500   1.358  -8.880
  319    HB   THR  14           HB       THR  14   9.084   3.230 -10.644
  320    HG1  THR  14           HG1      THR  14   9.523   1.375 -11.905
  321   1HG2  THR  14          1HG2      THR  14  10.974   1.839  -9.985
  322   2HG2  THR  14          2HG2      THR  14   9.906   0.824  -9.016
  323   3HG2  THR  14          3HG2      THR  14  10.174   2.507  -8.563
  324    H    LEU  15           H        LEU  15   8.545   2.221  -7.065
  325    HA   LEU  15           HA       LEU  15   8.716   5.083  -6.705
  326   1HB   LEU  15          1HB       LEU  15   6.321   4.268  -6.103
  327   2HB   LEU  15          2HB       LEU  15   7.083   3.572  -4.688
  328    HG   LEU  15           HG       LEU  15   6.087   5.714  -4.140
  329   1HD1  LEU  15          1HD1      LEU  15   8.115   5.123  -2.942
  330   2HD1  LEU  15          2HD1      LEU  15   8.031   6.866  -3.198
  331   3HD1  LEU  15          3HD1      LEU  15   9.095   5.877  -4.199
  332   1HD2  LEU  15          1HD2      LEU  15   7.717   6.683  -6.458
  333   2HD2  LEU  15          2HD2      LEU  15   7.204   7.781  -5.177
  334   3HD2  LEU  15          3HD2      LEU  15   6.000   6.913  -6.129
  335    H    GLU  16           H        GLU  16  10.767   5.163  -6.086
  336    HA   GLU  16           HA       GLU  16  11.960   3.101  -4.528
  337   1HB   GLU  16          1HB       GLU  16  13.967   4.441  -4.709
  338   2HB   GLU  16          2HB       GLU  16  13.203   4.270  -6.270
  339   1HG   GLU  16          1HG       GLU  16  13.940   6.480  -6.140
  340   2HG   GLU  16          2HG       GLU  16  12.200   6.547  -5.889
  341    H    VAL  17           H        VAL  17  12.747   3.247  -2.484
  342    HA   VAL  17           HA       VAL  17  12.213   5.567  -0.829
  343    HB   VAL  17           HB       VAL  17  10.995   4.218   0.892
  344   1HG1  VAL  17          1HG1      VAL  17   9.828   4.873  -1.771
  345   2HG1  VAL  17          2HG1      VAL  17   9.546   5.624  -0.201
  346   3HG1  VAL  17          3HG1      VAL  17   8.825   4.058  -0.572
  347   1HG2  VAL  17          1HG2      VAL  17  11.601   1.996   0.220
  348   2HG2  VAL  17          2HG2      VAL  17  10.834   2.213  -1.352
  349   3HG2  VAL  17          3HG2      VAL  17   9.849   2.158   0.110
  350    H    GLU  18           H        GLU  18  13.651   5.742   0.807
  351    HA   GLU  18           HA       GLU  18  15.941   4.128   0.865
  352   1HB   GLU  18          1HB       GLU  18  14.906   5.932   3.060
  353   2HB   GLU  18          2HB       GLU  18  16.559   5.362   2.878
  354   1HG   GLU  18          1HG       GLU  18  15.084   7.201   1.008
  355   2HG   GLU  18          2HG       GLU  18  16.364   7.650   2.134
  356    H    SER  19           H        SER  19  16.634   2.507   2.257
  357    HA   SER  19           HA       SER  19  14.733   0.678   3.166
  358   1HB   SER  19          1HB       SER  19  17.606   0.967   4.080
  359   2HB   SER  19          2HB       SER  19  16.598  -0.466   4.279
  360    HG   SER  19           HG       SER  19  16.859   0.550   1.702
  361    H    SER  20           H        SER  20  16.666   3.033   5.003
  362    HA   SER  20           HA       SER  20  15.220   2.429   7.444
  363   1HB   SER  20          1HB       SER  20  17.363   4.491   6.871
  364   2HB   SER  20          2HB       SER  20  16.702   4.129   8.466
  365    HG   SER  20           HG       SER  20  18.573   2.953   8.215
  366    H    ASP  21           H        ASP  21  13.567   3.380   5.374
  367    HA   ASP  21           HA       ASP  21  12.909   6.112   6.243
  368   1HB   ASP  21          1HB       ASP  21  13.325   5.717   3.798
  369   2HB   ASP  21          2HB       ASP  21  11.910   4.668   3.782
  370    H    THR  22           H        THR  22  10.943   6.586   7.120
  371    HA   THR  22           HA       THR  22   9.399   4.374   8.127
  372    HB   THR  22           HB       THR  22   8.027   6.092   9.246
  373    HG1  THR  22           HG1      THR  22   9.519   7.766   7.558
  374   1HG2  THR  22          1HG2      THR  22   9.650   6.744  10.821
  375   2HG2  THR  22          2HG2      THR  22  10.928   6.798   9.607
  376   3HG2  THR  22          3HG2      THR  22  10.273   5.246  10.128
  377    H    ILE  23           H        ILE  23   7.211   3.957   7.746
  378    HA   ILE  23           HA       ILE  23   6.342   3.929   5.142
  379    HB   ILE  23           HB       ILE  23   4.610   3.963   7.616
  380   1HG1  ILE  23          1HG1      ILE  23   6.300   2.188   7.652
  381   2HG1  ILE  23          2HG1      ILE  23   4.690   1.512   7.429
  382   1HG2  ILE  23          1HG2      ILE  23   3.432   4.427   5.446
  383   2HG2  ILE  23          2HG2      ILE  23   2.873   2.998   6.315
  384   3HG2  ILE  23          3HG2      ILE  23   3.932   2.821   4.916
  385   1HD1  ILE  23          1HD1      ILE  23   5.293   1.600   4.906
  386   2HD1  ILE  23          2HD1      ILE  23   5.943   0.313   5.922
  387   3HD1  ILE  23          3HD1      ILE  23   6.952   1.696   5.497
  388    H    ASP  24           H        ASP  24   5.668   6.379   7.617
  389    HA   ASP  24           HA       ASP  24   3.778   7.897   6.247
  390   1HB   ASP  24          1HB       ASP  24   4.426   8.250   8.619
  391   2HB   ASP  24          2HB       ASP  24   5.962   8.920   8.080
  392    H    ASN  25           H        ASN  25   7.314   8.188   6.261
  393    HA   ASN  25           HA       ASN  25   7.541  10.333   4.487
  394   1HB   ASN  25          1HB       ASN  25   9.389   8.051   5.168
  395   2HB   ASN  25          2HB       ASN  25   9.856   9.317   4.039
  396   1HD2  ASN  25          1HD2      ASN  25  11.139  10.717   4.976
  397   2HD2  ASN  25          2HD2      ASN  25  10.988  11.328   6.585
  398    H    VAL  26           H        VAL  26   7.290   6.863   3.918
  399    HA   VAL  26           HA       VAL  26   7.823   6.817   1.175
  400    HB   VAL  26           HB       VAL  26   5.896   5.064   2.713
  401   1HG1  VAL  26          1HG1      VAL  26   6.436   3.414   0.898
  402   2HG1  VAL  26          2HG1      VAL  26   7.190   4.740   0.013
  403   3HG1  VAL  26          3HG1      VAL  26   5.468   4.797   0.388
  404   1HG2  VAL  26          1HG2      VAL  26   8.408   3.836   2.067
  405   2HG2  VAL  26          2HG2      VAL  26   7.650   4.067   3.643
  406   3HG2  VAL  26          3HG2      VAL  26   8.679   5.329   2.965
  407    H    LYS  27           H        LYS  27   4.765   7.283   2.921
  408    HA   LYS  27           HA       LYS  27   3.098   7.460   0.668
  409   1HB   LYS  27          1HB       LYS  27   2.787   8.741   3.390
  410   2HB   LYS  27          2HB       LYS  27   1.518   8.634   2.179
  411   1HG   LYS  27          1HG       LYS  27   2.884   6.289   3.483
  412   2HG   LYS  27          2HG       LYS  27   1.293   6.922   3.910
  413   1HD   LYS  27          1HD       LYS  27   0.480   6.415   1.663
  414   2HD   LYS  27          2HD       LYS  27   2.076   5.809   1.213
  415   1HE   LYS  27          1HE       LYS  27   0.299   4.674   3.372
  416   2HE   LYS  27          2HE       LYS  27   0.534   3.987   1.765
  417   1HZ   LYS  27          1HZ       LYS  27   2.973   4.466   3.235
  418   2HZ   LYS  27          2HZ       LYS  27   2.496   3.111   2.343
  419   3HZ   LYS  27          3HZ       LYS  27   1.958   3.307   3.934
  420    H    SER  28           H        SER  28   4.974   9.883   2.420
  421    HA   SER  28           HA       SER  28   4.009  12.179   1.158
  422   1HB   SER  28          1HB       SER  28   5.497  12.265   3.112
  423   2HB   SER  28          2HB       SER  28   6.820  11.617   2.143
  424    HG   SER  28           HG       SER  28   7.168  13.540   1.383
  425    H    LYS  29           H        LYS  29   6.656   9.998   0.237
  426    HA   LYS  29           HA       LYS  29   7.497  11.383  -2.056
  427   1HB   LYS  29          1HB       LYS  29   7.558   8.403  -1.537
  428   2HB   LYS  29          2HB       LYS  29   8.489   9.245  -2.767
  429   1HG   LYS  29          1HG       LYS  29   9.656  10.491  -1.000
  430   2HG   LYS  29          2HG       LYS  29   8.754   9.581   0.213
  431   1HD   LYS  29          1HD       LYS  29   9.714   7.496  -0.673
  432   2HD   LYS  29          2HD       LYS  29  10.650   8.435  -1.837
  433   1HE   LYS  29          1HE       LYS  29  11.765   9.592   0.026
  434   2HE   LYS  29          2HE       LYS  29  10.852   8.604   1.166
  435   1HZ   LYS  29          1HZ       LYS  29  12.264   7.067  -0.810
  436   2HZ   LYS  29          2HZ       LYS  29  12.215   6.883   0.870
  437   3HZ   LYS  29          3HZ       LYS  29  13.287   7.989   0.173
  438    H    ILE  30           H        ILE  30   5.124   8.790  -1.630
  439    HA   ILE  30           HA       ILE  30   4.408   8.459  -4.315
  440    HB   ILE  30           HB       ILE  30   2.699   8.080  -1.845
  441   1HG1  ILE  30          1HG1      ILE  30   4.359   6.116  -3.444
  442   2HG1  ILE  30          2HG1      ILE  30   4.766   6.742  -1.850
  443   1HG2  ILE  30          1HG2      ILE  30   1.104   7.021  -3.108
  444   2HG2  ILE  30          2HG2      ILE  30   2.235   6.617  -4.400
  445   3HG2  ILE  30          3HG2      ILE  30   1.632   8.267  -4.239
  446   1HD1  ILE  30          1HD1      ILE  30   3.373   4.425  -2.417
  447   2HD1  ILE  30          2HD1      ILE  30   2.130   5.560  -1.890
  448   3HD1  ILE  30          3HD1      ILE  30   3.510   5.217  -0.847
  449    H    GLN  31           H        GLN  31   3.320  10.730  -1.868
  450    HA   GLN  31           HA       GLN  31   1.116  11.800  -3.250
  451   1HB   GLN  31          1HB       GLN  31   1.446  12.192  -0.872
  452   2HB   GLN  31          2HB       GLN  31   2.938  13.064  -1.193
  453   1HG   GLN  31          1HG       GLN  31   1.620  14.756  -2.436
  454   2HG   GLN  31          2HG       GLN  31   0.152  13.910  -1.951
  455   1HE2  GLN  31          1HE2      GLN  31   2.009  16.475  -1.261
  456   2HE2  GLN  31          2HE2      GLN  31   1.665  16.667   0.421
  457    H    ASP  32           H        ASP  32   4.526  12.764  -3.143
  458    HA   ASP  32           HA       ASP  32   4.250  15.060  -4.756
  459   1HB   ASP  32          1HB       ASP  32   6.193  14.672  -3.311
  460   2HB   ASP  32          2HB       ASP  32   6.681  13.314  -4.320
  461    H    LYS  33           H        LYS  33   5.115  11.713  -5.582
  462    HA   LYS  33           HA       LYS  33   5.573  12.286  -8.333
  463   1HB   LYS  33          1HB       LYS  33   6.584  10.372  -7.114
  464   2HB   LYS  33          2HB       LYS  33   4.998   9.616  -7.044
  465   1HG   LYS  33          1HG       LYS  33   4.926   9.430  -9.443
  466   2HG   LYS  33          2HG       LYS  33   6.447  10.315  -9.587
  467   1HD   LYS  33          1HD       LYS  33   7.615   8.538  -8.401
  468   2HD   LYS  33          2HD       LYS  33   6.097   7.662  -8.190
  469   1HE   LYS  33          1HE       LYS  33   7.428   6.756 -10.037
  470   2HE   LYS  33          2HE       LYS  33   5.885   7.402 -10.595
  471   1HZ   LYS  33          1HZ       LYS  33   7.019   9.406 -11.312
  472   2HZ   LYS  33          2HZ       LYS  33   7.706   8.048 -12.049
  473   3HZ   LYS  33          3HZ       LYS  33   8.500   8.802 -10.760
  474    H    GLU  34           H        GLU  34   2.952  10.389  -6.799
  475    HA   GLU  34           HA       GLU  34   1.406  10.403  -9.212
  476   1HB   GLU  34          1HB       GLU  34   0.545   9.595  -6.433
  477   2HB   GLU  34          2HB       GLU  34  -0.266   9.193  -7.938
  478   1HG   GLU  34          1HG       GLU  34   1.668   7.879  -8.639
  479   2HG   GLU  34          2HG       GLU  34   2.485   8.280  -7.129
  480    H    GLY  35           H        GLY  35   1.223  12.127  -6.124
  481   1HA   GLY  35          1HA       GLY  35   0.277  14.247  -5.792
  482   2HA   GLY  35          2HA       GLY  35  -0.463  14.143  -7.384
  483    H    ILE  36           H        ILE  36  -0.623  11.779  -4.780
  484    HA   ILE  36           HA       ILE  36  -3.539  12.205  -4.635
  485    HB   ILE  36           HB       ILE  36  -2.031   9.635  -4.128
  486   1HG1  ILE  36          1HG1      ILE  36  -1.944  10.192  -6.493
  487   2HG1  ILE  36          2HG1      ILE  36  -3.049   8.846  -6.239
  488   1HG2  ILE  36          1HG2      ILE  36  -4.688  10.471  -3.478
  489   2HG2  ILE  36          2HG2      ILE  36  -3.877   8.950  -3.116
  490   3HG2  ILE  36          3HG2      ILE  36  -4.748   9.146  -4.638
  491   1HD1  ILE  36          1HD1      ILE  36  -3.902  11.710  -6.577
  492   2HD1  ILE  36          2HD1      ILE  36  -4.945  10.289  -6.500
  493   3HD1  ILE  36          3HD1      ILE  36  -3.855  10.512  -7.869
  494    HA   PRO  37           HA       PRO  37  -2.864  13.423  -0.396
  495   1HB   PRO  37          1HB       PRO  37  -5.366  12.612   0.526
  496   2HB   PRO  37          2HB       PRO  37  -4.990  14.193  -0.164
  497   1HG   PRO  37          1HG       PRO  37  -6.218  11.801  -1.461
  498   2HG   PRO  37          2HG       PRO  37  -6.597  13.519  -1.684
  499   1HD   PRO  37          1HD       PRO  37  -5.167  12.178  -3.499
  500   2HD   PRO  37          2HD       PRO  37  -4.779  13.862  -3.093
  501    HA   PRO  38           HA       PRO  38  -1.501   9.546   1.345
  502   1HB   PRO  38          1HB       PRO  38  -1.059  10.479   3.893
  503   2HB   PRO  38          2HB       PRO  38   0.077  10.665   2.553
  504   1HG   PRO  38          1HG       PRO  38  -1.906  12.621   3.644
  505   2HG   PRO  38          2HG       PRO  38  -0.237  12.896   3.109
  506   1HD   PRO  38          1HD       PRO  38  -2.334  13.540   1.563
  507   2HD   PRO  38          2HD       PRO  38  -0.825  12.911   0.868
  508    H    ASP  39           H        ASP  39  -3.853  11.555   3.083
  509    HA   ASP  39           HA       ASP  39  -4.788   9.639   4.876
  510   1HB   ASP  39          1HB       ASP  39  -6.300  11.926   3.600
  511   2HB   ASP  39          2HB       ASP  39  -6.820  11.037   5.029
  512    H    GLN  40           H        GLN  40  -5.991  10.437   1.620
  513    HA   GLN  40           HA       GLN  40  -8.093   8.538   1.664
  514   1HB   GLN  40          1HB       GLN  40  -6.695   9.843  -0.675
  515   2HB   GLN  40          2HB       GLN  40  -8.182   8.912  -0.787
  516   1HG   GLN  40          1HG       GLN  40  -9.289  10.526   0.690
  517   2HG   GLN  40          2HG       GLN  40  -7.803  11.469   0.754
  518   1HE2  GLN  40          1HE2      GLN  40  -7.926  10.207  -2.269
  519   2HE2  GLN  40          2HE2      GLN  40  -8.713  11.502  -3.096
  520    H    GLN  41           H        GLN  41  -4.961   8.464  -0.063
  521    HA   GLN  41           HA       GLN  41  -5.240   5.798  -0.941
  522   1HB   GLN  41          1HB       GLN  41  -2.882   5.909  -1.515
  523   2HB   GLN  41          2HB       GLN  41  -3.680   7.407  -1.971
  524   1HG   GLN  41          1HG       GLN  41  -2.769   8.527  -0.038
  525   2HG   GLN  41          2HG       GLN  41  -2.054   7.019   0.531
  526   1HE2  GLN  41          1HE2      GLN  41  -1.324   9.835  -0.863
  527   2HE2  GLN  41          2HE2      GLN  41   0.058   9.381  -1.795
  528    H    ARG  42           H        ARG  42  -4.744   3.875  -0.032
  529    HA   ARG  42           HA       ARG  42  -3.302   3.891   2.529
  530   1HB   ARG  42          1HB       ARG  42  -5.761   3.769   2.928
  531   2HB   ARG  42          2HB       ARG  42  -5.803   2.278   1.997
  532   1HG   ARG  42          1HG       ARG  42  -4.376   1.186   3.614
  533   2HG   ARG  42          2HG       ARG  42  -4.219   2.690   4.525
  534   1HD   ARG  42          1HD       ARG  42  -6.680   2.673   4.864
  535   2HD   ARG  42          2HD       ARG  42  -6.740   1.096   4.078
  536    HE   ARG  42           HE       ARG  42  -4.891   0.971   6.175
  537   1HH1  ARG  42          1HH1      ARG  42  -8.320   1.321   5.667
  538   2HH1  ARG  42          2HH1      ARG  42  -8.749   0.612   7.187
  539   1HH2  ARG  42          1HH2      ARG  42  -5.444   0.039   8.180
  540   2HH2  ARG  42          2HH2      ARG  42  -7.113  -0.121   8.615
  541    H    LEU  43           H        LEU  43  -1.538   2.719   2.259
  542    HA   LEU  43           HA       LEU  43  -1.380   0.685   0.217
  543   1HB   LEU  43          1HB       LEU  43   0.555   2.047   2.015
  544   2HB   LEU  43          2HB       LEU  43   0.999   0.478   1.372
  545    HG   LEU  43           HG       LEU  43   0.821   1.294  -0.897
  546   1HD1  LEU  43          1HD1      LEU  43   0.487   4.112  -0.315
  547   2HD1  LEU  43          2HD1      LEU  43  -0.929   3.164   0.139
  548   3HD1  LEU  43          3HD1      LEU  43  -0.317   3.099  -1.513
  549   1HD2  LEU  43          1HD2      LEU  43   2.750   2.562  -0.940
  550   2HD2  LEU  43          2HD2      LEU  43   2.856   1.778   0.636
  551   3HD2  LEU  43          3HD2      LEU  43   2.322   3.455   0.519
  552    H    ILE  44           H        ILE  44  -1.145  -1.466   0.466
  553    HA   ILE  44           HA       ILE  44  -1.126  -2.609   3.157
  554    HB   ILE  44           HB       ILE  44  -3.160  -3.342   1.044
  555   1HG1  ILE  44          1HG1      ILE  44  -3.505  -2.122   3.795
  556   2HG1  ILE  44          2HG1      ILE  44  -3.700  -1.273   2.265
  557   1HG2  ILE  44          1HG2      ILE  44  -3.963  -4.707   3.193
  558   2HG2  ILE  44          2HG2      ILE  44  -2.225  -4.710   3.496
  559   3HG2  ILE  44          3HG2      ILE  44  -2.860  -5.379   1.993
  560   1HD1  ILE  44          1HD1      ILE  44  -5.425  -3.438   3.419
  561   2HD1  ILE  44          2HD1      ILE  44  -5.525  -2.936   1.731
  562   3HD1  ILE  44          3HD1      ILE  44  -5.865  -1.778   3.016
  563    H    PHE  45           H        PHE  45  -0.089  -4.550   3.305
  564    HA   PHE  45           HA       PHE  45   0.616  -6.042   0.922
  565   1HB   PHE  45          1HB       PHE  45   2.384  -4.325   1.054
  566   2HB   PHE  45          2HB       PHE  45   2.756  -4.838   2.695
  567    HD1  PHE  45           HD1      PHE  45   2.094  -6.835  -0.384
  568    HD2  PHE  45           HD2      PHE  45   4.878  -5.736   2.643
  569    HE1  PHE  45           HE1      PHE  45   3.696  -8.480  -1.266
  570    HE2  PHE  45           HE2      PHE  45   6.485  -7.378   1.765
  571    HZ   PHE  45           HZ       PHE  45   5.895  -8.753  -0.191
  572    H    ALA  46           H        ALA  46   1.192  -8.171   1.346
  573    HA   ALA  46           HA       ALA  46   1.101 -10.152   2.466
  574   1HB   ALA  46          1HB       ALA  46   2.883  -8.463   3.890
  575   2HB   ALA  46          2HB       ALA  46   2.882 -10.224   3.788
  576   3HB   ALA  46          3HB       ALA  46   1.975  -9.415   5.065
  577    H    GLY  47           H        GLY  47  -1.251  -8.562   2.459
  578   1HA   GLY  47          1HA       GLY  47  -3.339  -8.525   3.400
  579   2HA   GLY  47          2HA       GLY  47  -2.840  -9.947   4.303
  580    H    LYS  48           H        LYS  48  -1.315  -6.773   4.514
  581    HA   LYS  48           HA       LYS  48  -2.655  -6.191   7.030
  582   1HB   LYS  48          1HB       LYS  48   0.337  -6.597   6.861
  583   2HB   LYS  48          2HB       LYS  48  -0.501  -5.898   8.239
  584   1HG   LYS  48          1HG       LYS  48  -1.710  -7.993   8.572
  585   2HG   LYS  48          2HG       LYS  48  -0.876  -8.693   7.184
  586   1HD   LYS  48          1HD       LYS  48   1.267  -8.411   8.316
  587   2HD   LYS  48          2HD       LYS  48   0.451  -7.674   9.697
  588   1HE   LYS  48          1HE       LYS  48  -0.784  -9.757  10.070
  589   2HE   LYS  48          2HE       LYS  48   0.038 -10.491   8.694
  590   1HZ   LYS  48          1HZ       LYS  48   1.120  -9.784  11.337
  591   2HZ   LYS  48          2HZ       LYS  48   2.157  -9.849  10.003
  592   3HZ   LYS  48          3HZ       LYS  48   1.284 -11.223  10.463
  593    H    GLN  49           H        GLN  49  -2.979  -4.067   7.250
  594    HA   GLN  49           HA       GLN  49  -2.158  -2.250   5.237
  595   1HB   GLN  49          1HB       GLN  49  -3.342  -1.687   7.964
  596   2HB   GLN  49          2HB       GLN  49  -3.198  -0.520   6.659
  597   1HG   GLN  49          1HG       GLN  49  -5.444  -1.314   6.729
  598   2HG   GLN  49          2HG       GLN  49  -4.672  -1.951   5.278
  599   1HE2  GLN  49          1HE2      GLN  49  -5.202  -3.962   4.872
  600   2HE2  GLN  49          2HE2      GLN  49  -5.538  -5.191   6.040
  601    H    LEU  50           H        LEU  50  -0.460  -0.879   5.128
  602    HA   LEU  50           HA       LEU  50   1.729  -1.254   6.908
  603   1HB   LEU  50          1HB       LEU  50   1.304   0.884   4.819
  604   2HB   LEU  50          2HB       LEU  50   2.828   0.508   5.601
  605    HG   LEU  50           HG       LEU  50   1.286  -1.340   3.776
  606   1HD1  LEU  50          1HD1      LEU  50   3.951  -0.049   3.276
  607   2HD1  LEU  50          2HD1      LEU  50   2.429   0.676   2.758
  608   3HD1  LEU  50          3HD1      LEU  50   2.912  -0.901   2.133
  609   1HD2  LEU  50          1HD2      LEU  50   3.782  -1.683   5.394
  610   2HD2  LEU  50          2HD2      LEU  50   3.558  -2.569   3.886
  611   3HD2  LEU  50          3HD2      LEU  50   2.412  -2.777   5.210
  612    H    GLU  51           H        GLU  51   2.052  -0.341   8.817
  613    HA   GLU  51           HA       GLU  51   0.345   1.748   9.781
  614   1HB   GLU  51          1HB       GLU  51   2.756   0.401  11.004
  615   2HB   GLU  51          2HB       GLU  51   1.749   1.574  11.843
  616   1HG   GLU  51          1HG       GLU  51  -0.166   0.115  11.665
  617   2HG   GLU  51          2HG       GLU  51   0.770  -1.040  10.718
  618    H    ASP  52           H        ASP  52   0.696   3.873   9.865
  619    HA   ASP  52           HA       ASP  52   2.973   4.973   8.502
  620   1HB   ASP  52          1HB       ASP  52   0.686   6.343   9.930
  621   2HB   ASP  52          2HB       ASP  52   1.874   7.145   8.907
  622    H    GLY  53           H        GLY  53   4.138   3.714  10.528
  623   1HA   GLY  53          1HA       GLY  53   5.517   5.768  11.895
  624   2HA   GLY  53          2HA       GLY  53   4.361   5.020  12.985
  625    H    ARG  54           H        ARG  54   6.232   3.461  10.420
  626    HA   ARG  54           HA       ARG  54   8.052   2.251  12.311
  627   1HB   ARG  54          1HB       ARG  54   5.972   0.648  10.835
  628   2HB   ARG  54          2HB       ARG  54   7.437  -0.065  11.484
  629   1HG   ARG  54          1HG       ARG  54   6.795   0.600  13.729
  630   2HG   ARG  54          2HG       ARG  54   5.345   1.380  13.094
  631   1HD   ARG  54          1HD       ARG  54   4.523  -0.761  12.290
  632   2HD   ARG  54          2HD       ARG  54   5.992  -1.555  12.854
  633    HE   ARG  54           HE       ARG  54   4.997  -1.708  14.887
  634   1HH1  ARG  54          1HH1      ARG  54   3.658   1.070  13.257
  635   2HH1  ARG  54          2HH1      ARG  54   2.587   1.473  14.556
  636   1HH2  ARG  54          1HH2      ARG  54   3.591  -1.181  16.596
  637   2HH2  ARG  54          2HH2      ARG  54   2.550   0.197  16.453
  638    H    THR  55           H        THR  55   9.936   1.637  11.385
  639    HA   THR  55           HA       THR  55  10.546   2.568   8.785
  640    HB   THR  55           HB       THR  55  12.238   0.592  10.295
  641    HG1  THR  55           HG1      THR  55  12.747   3.268  10.729
  642   1HG2  THR  55          1HG2      THR  55  12.634   2.564   8.121
  643   2HG2  THR  55          2HG2      THR  55  13.395   0.995   8.379
  644   3HG2  THR  55          3HG2      THR  55  13.937   2.398   9.297
  645    H    LEU  56           H        LEU  56  11.349   1.327   6.999
  646    HA   LEU  56           HA       LEU  56   9.636  -0.786   6.246
  647   1HB   LEU  56          1HB       LEU  56  12.237   0.119   5.011
  648   2HB   LEU  56          2HB       LEU  56  11.092  -0.974   4.257
  649    HG   LEU  56           HG       LEU  56  10.546   1.910   4.972
  650   1HD1  LEU  56          1HD1      LEU  56  12.084   1.062   2.931
  651   2HD1  LEU  56          2HD1      LEU  56  11.070   2.503   2.864
  652   3HD1  LEU  56          3HD1      LEU  56  10.492   0.985   2.178
  653   1HD2  LEU  56          1HD2      LEU  56   8.857  -0.271   3.806
  654   2HD2  LEU  56          2HD2      LEU  56   8.543   1.422   3.423
  655   3HD2  LEU  56          3HD2      LEU  56   8.472   0.868   5.096
  656    H    SER  57           H        SER  57  12.944  -0.709   7.445
  657    HA   SER  57           HA       SER  57  13.766  -3.291   6.950
  658   1HB   SER  57          1HB       SER  57  15.234  -1.577   7.909
  659   2HB   SER  57          2HB       SER  57  14.325  -1.630   9.419
  660    HG   SER  57           HG       SER  57  15.189  -3.539   9.899
  661    H    ASP  58           H        ASP  58  11.726  -2.105   9.581
  662    HA   ASP  58           HA       ASP  58  11.631  -4.420  11.132
  663   1HB   ASP  58          1HB       ASP  58   9.458  -2.359  10.699
  664   2HB   ASP  58          2HB       ASP  58   9.500  -3.534  12.010
  665    H    TYR  59           H        TYR  59   9.620  -3.427   8.393
  666    HA   TYR  59           HA       TYR  59   7.946  -5.740   8.488
  667   1HB   TYR  59          1HB       TYR  59   8.373  -3.646   6.354
  668   2HB   TYR  59          2HB       TYR  59   7.195  -4.946   6.217
  669    HD1  TYR  59           HD1      TYR  59   8.130  -2.613   8.997
  670    HD2  TYR  59           HD2      TYR  59   5.061  -4.122   6.466
  671    HE1  TYR  59           HE1      TYR  59   6.477  -1.242  10.191
  672    HE2  TYR  59           HE2      TYR  59   3.400  -2.753   7.654
  673    HH   TYR  59           HH       TYR  59   4.361  -0.449  10.145
  674    H    ASN  60           H        ASN  60  10.942  -4.927   6.904
  675    HA   ASN  60           HA       ASN  60  12.431  -6.158   5.705
  676   1HB   ASN  60          1HB       ASN  60  10.729  -8.511   6.567
  677   2HB   ASN  60          2HB       ASN  60  12.320  -8.624   5.822
  678   1HD2  ASN  60          1HD2      ASN  60  13.916  -8.932   7.177
  679   2HD2  ASN  60          2HD2      ASN  60  13.965  -8.439   8.832
  680    H    ILE  61           H        ILE  61  10.508  -4.867   4.305
  681    HA   ILE  61           HA       ILE  61   8.960  -6.382   2.537
  682    HB   ILE  61           HB       ILE  61  10.214  -3.678   2.044
  683   1HG1  ILE  61          1HG1      ILE  61   7.484  -4.393   3.142
  684   2HG1  ILE  61          2HG1      ILE  61   8.831  -3.785   4.099
  685   1HG2  ILE  61          1HG2      ILE  61   7.654  -4.161   0.795
  686   2HG2  ILE  61          2HG2      ILE  61   8.859  -5.339   0.272
  687   3HG2  ILE  61          3HG2      ILE  61   9.170  -3.613   0.080
  688   1HD1  ILE  61          1HD1      ILE  61   7.529  -1.910   3.749
  689   2HD1  ILE  61          2HD1      ILE  61   7.152  -2.356   2.084
  690   3HD1  ILE  61          3HD1      ILE  61   8.763  -1.770   2.498
  691    H    GLN  62           H        GLN  62   9.364  -7.432   0.697
  692    HA   GLN  62           HA       GLN  62  12.026  -8.093  -0.034
  693   1HB   GLN  62          1HB       GLN  62   9.422  -8.561  -1.500
  694   2HB   GLN  62          2HB       GLN  62  10.961  -9.302  -1.916
  695   1HG   GLN  62          1HG       GLN  62   9.534  -9.663   0.709
  696   2HG   GLN  62          2HG       GLN  62   9.464 -10.790  -0.645
  697   1HE2  GLN  62          1HE2      GLN  62  10.739 -12.465  -0.415
  698   2HE2  GLN  62          2HE2      GLN  62  12.260 -12.493   0.402
  699    H    LYS  63           H        LYS  63  13.087  -7.675  -2.058
  700    HA   LYS  63           HA       LYS  63  13.004  -4.982  -2.855
  701   1HB   LYS  63          1HB       LYS  63  15.030  -6.331  -3.010
  702   2HB   LYS  63          2HB       LYS  63  14.265  -7.385  -4.192
  703   1HG   LYS  63          1HG       LYS  63  14.114  -5.530  -5.754
  704   2HG   LYS  63          2HG       LYS  63  14.869  -4.466  -4.571
  705   1HD   LYS  63          1HD       LYS  63  16.171  -6.957  -5.661
  706   2HD   LYS  63          2HD       LYS  63  16.410  -5.351  -6.346
  707   1HE   LYS  63          1HE       LYS  63  18.244  -5.834  -4.880
  708   2HE   LYS  63          2HE       LYS  63  17.244  -4.590  -4.132
  709   1HZ   LYS  63          1HZ       LYS  63  16.502  -6.025  -2.525
  710   2HZ   LYS  63          2HZ       LYS  63  18.076  -6.604  -2.748
  711   3HZ   LYS  63          3HZ       LYS  63  16.771  -7.412  -3.458
  712    H    GLU  64           H        GLU  64  11.919  -3.954  -4.432
  713    HA   GLU  64           HA       GLU  64  10.434  -3.529  -6.096
  714   1HB   GLU  64          1HB       GLU  64  11.247  -6.286  -7.030
  715   2HB   GLU  64          2HB       GLU  64  10.307  -5.142  -7.977
  716   1HG   GLU  64          1HG       GLU  64  12.165  -3.585  -7.984
  717   2HG   GLU  64          2HG       GLU  64  13.108  -4.682  -6.978
  718    H    SER  65           H        SER  65   9.346  -4.448  -3.693
  719    HA   SER  65           HA       SER  65   7.335  -6.435  -4.295
  720   1HB   SER  65          1HB       SER  65   7.853  -4.747  -1.844
  721   2HB   SER  65          2HB       SER  65   6.515  -5.890  -1.968
  722    HG   SER  65           HG       SER  65   7.892  -7.540  -1.922
  723    H    THR  66           H        THR  66   5.166  -6.121  -4.547
  724    HA   THR  66           HA       THR  66   4.372  -3.458  -5.412
  725    HB   THR  66           HB       THR  66   2.905  -6.098  -5.575
  726    HG1  THR  66           HG1      THR  66   4.019  -4.581  -7.702
  727   1HG2  THR  66          1HG2      THR  66   2.210  -3.359  -6.628
  728   2HG2  THR  66          2HG2      THR  66   1.271  -4.358  -5.517
  729   3HG2  THR  66          3HG2      THR  66   1.455  -4.846  -7.201
  730    H    LEU  67           H        LEU  67   3.054  -2.139  -4.312
  731    HA   LEU  67           HA       LEU  67   1.827  -3.167  -1.840
  732   1HB   LEU  67          1HB       LEU  67   2.921  -0.458  -2.552
  733   2HB   LEU  67          2HB       LEU  67   1.800  -0.665  -1.222
  734    HG   LEU  67           HG       LEU  67   3.387  -2.185  -0.116
  735   1HD1  LEU  67          1HD1      LEU  67   5.358  -1.452  -2.265
  736   2HD1  LEU  67          2HD1      LEU  67   4.462  -2.971  -2.245
  737   3HD1  LEU  67          3HD1      LEU  67   5.574  -2.586  -0.931
  738   1HD2  LEU  67          1HD2      LEU  67   4.611   0.449  -0.916
  739   2HD2  LEU  67          2HD2      LEU  67   5.040  -0.512   0.499
  740   3HD2  LEU  67          3HD2      LEU  67   3.435   0.209   0.375
  741    H    HIS  68           H        HIS  68  -0.318  -3.229  -1.750
  742    HA   HIS  68           HA       HIS  68  -1.885  -2.198  -3.928
  743   1HB   HIS  68          1HB       HIS  68  -2.636  -3.651  -1.391
  744   2HB   HIS  68          2HB       HIS  68  -3.808  -3.155  -2.607
  745    HD1  HIS  68           HD1      HIS  68  -2.966  -4.082  -5.164
  746    HD2  HIS  68           HD2      HIS  68  -1.901  -6.215  -1.762
  747    HE1  HIS  68           HE1      HIS  68  -2.418  -6.400  -5.969
  748    HE2  HIS  68           HE2      HIS  68  -1.706  -7.653  -3.902
  749    H    LEU  69           H        LEU  69  -3.044  -0.377  -4.016
  750    HA   LEU  69           HA       LEU  69  -3.125   1.299  -1.597
  751   1HB   LEU  69          1HB       LEU  69  -1.818   2.125  -3.581
  752   2HB   LEU  69          2HB       LEU  69  -3.323   2.198  -4.472
  753    HG   LEU  69           HG       LEU  69  -2.887   3.754  -1.927
  754   1HD1  LEU  69          1HD1      LEU  69  -2.523   4.792  -4.727
  755   2HD1  LEU  69          2HD1      LEU  69  -1.185   4.298  -3.690
  756   3HD1  LEU  69          3HD1      LEU  69  -2.225   5.639  -3.210
  757   1HD2  LEU  69          1HD2      LEU  69  -5.016   4.318  -2.210
  758   2HD2  LEU  69          2HD2      LEU  69  -5.106   3.342  -3.676
  759   3HD2  LEU  69          3HD2      LEU  69  -4.603   5.030  -3.770
  760    H    VAL  70           H        VAL  70  -5.032   2.129  -0.890
  761    HA   VAL  70           HA       VAL  70  -7.451   1.567  -2.468
  762    HB   VAL  70           HB       VAL  70  -7.286   1.270   0.535
  763   1HG1  VAL  70          1HG1      VAL  70  -9.481   0.102   0.191
  764   2HG1  VAL  70          2HG1      VAL  70  -9.445   0.680  -1.478
  765   3HG1  VAL  70          3HG1      VAL  70  -9.492   1.836  -0.147
  766   1HG2  VAL  70          1HG2      VAL  70  -6.020  -0.538  -0.220
  767   2HG2  VAL  70          2HG2      VAL  70  -7.033  -0.775  -1.644
  768   3HG2  VAL  70          3HG2      VAL  70  -7.644  -1.206  -0.046
  769    H    LEU  71           H        LEU  71  -8.764   3.283  -2.676
  770    HA   LEU  71           HA       LEU  71  -8.013   5.768  -1.408
  771   1HB   LEU  71          1HB       LEU  71 -10.176   5.101  -3.404
  772   2HB   LEU  71          2HB       LEU  71  -9.874   6.716  -2.796
  773    HG   LEU  71           HG       LEU  71  -8.875   6.518  -4.964
  774   1HD1  LEU  71          1HD1      LEU  71  -6.688   7.246  -4.506
  775   2HD1  LEU  71          2HD1      LEU  71  -6.591   6.288  -3.029
  776   3HD1  LEU  71          3HD1      LEU  71  -7.641   7.703  -3.094
  777   1HD2  LEU  71          1HD2      LEU  71  -7.255   4.855  -5.559
  778   2HD2  LEU  71          2HD2      LEU  71  -8.698   4.040  -4.955
  779   3HD2  LEU  71          3HD2      LEU  71  -7.272   4.186  -3.927
  780    H    ARG  72           H        ARG  72  -8.896   6.605   0.355
  781    HA   ARG  72           HA       ARG  72 -10.902   5.209   1.813
  782   1HB   ARG  72          1HB       ARG  72  -9.129   6.502   2.922
  783   2HB   ARG  72          2HB       ARG  72  -9.773   7.985   2.233
  784   1HG   ARG  72          1HG       ARG  72 -11.848   7.662   3.495
  785   2HG   ARG  72          2HG       ARG  72 -11.179   6.190   4.202
  786   1HD   ARG  72          1HD       ARG  72 -10.094   8.988   4.513
  787   2HD   ARG  72          2HD       ARG  72 -10.944   8.053   5.742
  788    HE   ARG  72           HE       ARG  72  -8.193   7.942   5.173
  789   1HH1  ARG  72          1HH1      ARG  72 -10.874   5.833   5.906
  790   2HH1  ARG  72          2HH1      ARG  72  -9.877   4.604   6.608
  791   1HH2  ARG  72          1HH2      ARG  72  -6.880   6.328   6.096
  792   2HH2  ARG  72          2HH2      ARG  72  -7.609   4.884   6.715
  793    H    LEU  73           H        LEU  73 -13.007   5.242   1.379
  794    HA   LEU  73           HA       LEU  73 -14.145   7.417  -0.172
  795   1HB   LEU  73          1HB       LEU  73 -15.388   4.866   0.857
  796   2HB   LEU  73          2HB       LEU  73 -16.186   6.021  -0.192
  797    HG   LEU  73           HG       LEU  73 -13.728   4.420  -0.913
  798   1HD1  LEU  73          1HD1      LEU  73 -15.415   3.434  -2.581
  799   2HD1  LEU  73          2HD1      LEU  73 -16.647   4.064  -1.487
  800   3HD1  LEU  73          3HD1      LEU  73 -15.473   2.882  -0.907
  801   1HD2  LEU  73          1HD2      LEU  73 -13.449   5.812  -2.616
  802   2HD2  LEU  73          2HD2      LEU  73 -14.761   6.819  -2.002
  803   3HD2  LEU  73          3HD2      LEU  73 -15.106   5.522  -3.146
  804    H    ARG  74           H        ARG  74 -15.403   8.999   0.598
  805    HA   ARG  74           HA       ARG  74 -17.048   8.852   2.865
  806   1HB   ARG  74          1HB       ARG  74 -14.729   8.814   3.936
  807   2HB   ARG  74          2HB       ARG  74 -14.553  10.472   3.383
  808   1HG   ARG  74          1HG       ARG  74 -16.813   9.571   5.147
  809   2HG   ARG  74          2HG       ARG  74 -15.275  10.160   5.776
  810   1HD   ARG  74          1HD       ARG  74 -17.193  11.682   4.014
  811   2HD   ARG  74          2HD       ARG  74 -16.925  11.943   5.736
  812    HE   ARG  74           HE       ARG  74 -15.415  13.039   3.637
  813   1HH1  ARG  74          1HH1      ARG  74 -14.983  11.562   6.768
  814   2HH1  ARG  74          2HH1      ARG  74 -13.492  12.382   7.089
  815   1HH2  ARG  74          1HH2      ARG  74 -13.452  14.116   4.055
  816   2HH2  ARG  74          2HH2      ARG  74 -12.621  13.831   5.548
  817    H    GLY  75           H        GLY  75 -14.968  11.012   0.964
  818   1HA   GLY  75          1HA       GLY  75 -17.144  12.465  -0.098
  819   2HA   GLY  75          2HA       GLY  75 -16.454  13.360   1.246
  820    H    GLY  76           H        GLY  76 -15.452  15.024   0.269
  821   1HA   GLY  76          1HA       GLY  76 -14.167  14.927  -2.229
  822   2HA   GLY  76          2HA       GLY  76 -13.930  16.168  -1.009
  Start of MODEL    6
    1   1H    TYR 255          1H        TYR 255  21.669   2.997   6.577
    2   2H    TYR 255          2H        TYR 255  21.374   3.992   7.913
    3   3H    TYR 255          3H        TYR 255  20.496   4.213   6.485
    4    HA   TYR 255           HA       TYR 255  19.993   2.462   8.666
    5   1HB   TYR 255          1HB       TYR 255  18.468   3.290   6.187
    6   2HB   TYR 255          2HB       TYR 255  17.772   2.349   7.501
    7    HD1  TYR 255           HD1      TYR 255  16.467   3.529   8.970
    8    HD2  TYR 255           HD2      TYR 255  19.750   5.516   7.135
    9    HE1  TYR 255           HE1      TYR 255  15.856   5.603  10.139
   10    HE2  TYR 255           HE2      TYR 255  19.151   7.596   8.301
   11    HH   TYR 255           HH       TYR 255  17.381   7.819  10.870
   12    HA   PRO 256           HA       PRO 256  21.086  -1.442   6.858
   13   1HB   PRO 256          1HB       PRO 256  19.398  -3.033   8.312
   14   2HB   PRO 256          2HB       PRO 256  20.923  -2.393   8.934
   15   1HG   PRO 256          1HG       PRO 256  18.138  -1.378   9.340
   16   2HG   PRO 256          2HG       PRO 256  19.455  -1.536  10.517
   17   1HD   PRO 256          1HD       PRO 256  18.827   0.830   9.404
   18   2HD   PRO 256          2HD       PRO 256  20.505   0.395   9.790
   19    H    GLU 257           H        GLU 257  20.408  -2.602   5.150
   20    HA   GLU 257           HA       GLU 257  19.111  -3.412   3.468
   21   1HB   GLU 257          1HB       GLU 257  16.805  -2.941   5.366
   22   2HB   GLU 257          2HB       GLU 257  16.757  -3.918   3.905
   23   1HG   GLU 257          1HG       GLU 257  18.474  -4.484   6.311
   24   2HG   GLU 257          2HG       GLU 257  16.933  -5.259   5.954
   25    H    ASP 258           H        ASP 258  18.354  -2.529   1.634
   26    HA   ASP 258           HA       ASP 258  17.968   0.303   1.531
   27   1HB   ASP 258          1HB       ASP 258  17.633  -0.097  -0.909
   28   2HB   ASP 258          2HB       ASP 258  19.126  -0.787  -0.280
   29    H    GLU 259           H        GLU 259  15.911  -1.682   2.795
   30    HA   GLU 259           HA       GLU 259  13.525  -1.484   1.319
   31   1HB   GLU 259          1HB       GLU 259  13.745  -3.102   3.098
   32   2HB   GLU 259          2HB       GLU 259  14.002  -1.827   4.283
   33   1HG   GLU 259          1HG       GLU 259  11.705  -1.007   3.791
   34   2HG   GLU 259          2HG       GLU 259  11.474  -2.427   2.774
   35    H    GLU 260           H        GLU 260  15.000   0.614   3.721
   36    HA   GLU 260           HA       GLU 260  12.867   2.295   4.281
   37   1HB   GLU 260          1HB       GLU 260  15.814   2.946   4.162
   38   2HB   GLU 260          2HB       GLU 260  14.592   3.975   4.896
   39   1HG   GLU 260          1HG       GLU 260  15.225   1.164   5.769
   40   2HG   GLU 260          2HG       GLU 260  15.847   2.626   6.531
   41    H    GLU 261           H        GLU 261  15.304   2.668   1.682
   42    HA   GLU 261           HA       GLU 261  14.373   5.141   0.770
   43   1HB   GLU 261          1HB       GLU 261  15.629   4.786  -1.225
   44   2HB   GLU 261          2HB       GLU 261  16.537   4.078   0.102
   45   1HG   GLU 261          1HG       GLU 261  15.770   1.864  -0.539
   46   2HG   GLU 261          2HG       GLU 261  14.819   2.567  -1.847
   47    H    LEU 262           H        LEU 262  13.339   1.862  -0.111
   48    HA   LEU 262           HA       LEU 262  11.603   2.650  -2.203
   49   1HB   LEU 262          1HB       LEU 262  11.844   0.193  -0.513
   50   2HB   LEU 262          2HB       LEU 262  10.432   0.399  -1.529
   51    HG   LEU 262           HG       LEU 262  11.979  -0.959  -2.716
   52   1HD1  LEU 262          1HD1      LEU 262  12.230   0.233  -4.737
   53   2HD1  LEU 262          2HD1      LEU 262  12.306   1.783  -3.900
   54   3HD1  LEU 262          3HD1      LEU 262  10.790   0.882  -3.952
   55   1HD2  LEU 262          1HD2      LEU 262  14.173   0.922  -2.996
   56   2HD2  LEU 262          2HD2      LEU 262  14.195  -0.797  -2.608
   57   3HD2  LEU 262          3HD2      LEU 262  13.937   0.390  -1.331
   58    H    ILE 263           H        ILE 263  11.010   1.951   1.227
   59    HA   ILE 263           HA       ILE 263   8.256   2.357   1.250
   60    HB   ILE 263           HB       ILE 263  10.381   2.572   3.338
   61   1HG1  ILE 263          1HG1      ILE 263   7.923   0.837   3.081
   62   2HG1  ILE 263          2HG1      ILE 263   9.558   0.365   2.634
   63   1HG2  ILE 263          1HG2      ILE 263   7.603   3.617   3.545
   64   2HG2  ILE 263          2HG2      ILE 263   9.093   4.224   4.266
   65   3HG2  ILE 263          3HG2      ILE 263   8.302   2.800   4.942
   66   1HD1  ILE 263          1HD1      ILE 263   8.298   0.567   5.290
   67   2HD1  ILE 263          2HD1      ILE 263   9.988   1.059   5.179
   68   3HD1  ILE 263          3HD1      ILE 263   9.508  -0.564   4.684
   69    H    ARG 264           H        ARG 264  10.792   4.717   2.161
   70    HA   ARG 264           HA       ARG 264   9.037   6.878   2.483
   71   1HB   ARG 264          1HB       ARG 264  10.995   8.307   2.385
   72   2HB   ARG 264          2HB       ARG 264  11.308   6.891   3.377
   73   1HG   ARG 264          1HG       ARG 264  12.524   5.855   1.530
   74   2HG   ARG 264          2HG       ARG 264  12.201   7.268   0.525
   75   1HD   ARG 264          1HD       ARG 264  14.441   7.391   1.430
   76   2HD   ARG 264          2HD       ARG 264  13.440   8.664   2.125
   77    HE   ARG 264           HE       ARG 264  13.340   6.473   3.843
   78   1HH1  ARG 264          1HH1      ARG 264  15.679   8.775   2.667
   79   2HH1  ARG 264          2HH1      ARG 264  16.650   8.713   4.099
   80   1HH2  ARG 264          1HH2      ARG 264  14.615   6.388   5.732
   81   2HH2  ARG 264          2HH2      ARG 264  16.044   7.360   5.841
   82    H    LYS 265           H        LYS 265  10.760   5.698  -0.366
   83    HA   LYS 265           HA       LYS 265  10.351   7.850  -2.079
   84   1HB   LYS 265          1HB       LYS 265  11.718   5.879  -2.657
   85   2HB   LYS 265          2HB       LYS 265  10.259   4.902  -2.754
   86   1HG   LYS 265          1HG       LYS 265   9.467   6.282  -4.615
   87   2HG   LYS 265          2HG       LYS 265  10.948   7.236  -4.526
   88   1HD   LYS 265          1HD       LYS 265  11.069   5.553  -6.299
   89   2HD   LYS 265          2HD       LYS 265  12.271   5.255  -5.042
   90   1HE   LYS 265          1HE       LYS 265  11.181   3.184  -5.758
   91   2HE   LYS 265          2HE       LYS 265  10.849   3.542  -4.063
   92   1HZ   LYS 265          1HZ       LYS 265   8.680   4.302  -4.621
   93   2HZ   LYS 265          2HZ       LYS 265   8.887   2.794  -5.360
   94   3HZ   LYS 265          3HZ       LYS 265   8.994   4.208  -6.281
   95    H    ALA 266           H        ALA 266   8.287   5.048  -1.426
   96    HA   ALA 266           HA       ALA 266   6.138   5.851  -3.081
   97   1HB   ALA 266          1HB       ALA 266   6.299   3.554  -2.412
   98   2HB   ALA 266          2HB       ALA 266   4.818   4.217  -1.716
   99   3HB   ALA 266          3HB       ALA 266   6.246   3.995  -0.704
  100    H    ILE 267           H        ILE 267   7.082   6.534   0.215
  101    HA   ILE 267           HA       ILE 267   4.696   7.659   1.153
  102    HB   ILE 267           HB       ILE 267   7.545   8.227   1.948
  103   1HG1  ILE 267          1HG1      ILE 267   5.364   6.571   3.239
  104   2HG1  ILE 267          2HG1      ILE 267   6.751   5.935   2.364
  105   1HG2  ILE 267          1HG2      ILE 267   5.362   9.844   2.488
  106   2HG2  ILE 267          2HG2      ILE 267   6.892   9.818   3.366
  107   3HG2  ILE 267          3HG2      ILE 267   5.530   8.854   3.937
  108   1HD1  ILE 267          1HD1      ILE 267   7.755   7.644   4.364
  109   2HD1  ILE 267          2HD1      ILE 267   7.881   5.888   4.260
  110   3HD1  ILE 267          3HD1      ILE 267   6.524   6.628   5.111
  111    H    GLU 268           H        GLU 268   7.500   9.152  -0.416
  112    HA   GLU 268           HA       GLU 268   6.554  11.800  -0.336
  113   1HB   GLU 268          1HB       GLU 268   8.905  11.226  -0.766
  114   2HB   GLU 268          2HB       GLU 268   8.450  10.515  -2.307
  115   1HG   GLU 268          1HG       GLU 268   9.391  12.718  -2.628
  116   2HG   GLU 268          2HG       GLU 268   7.691  12.697  -3.094
  117    H    LEU 269           H        LEU 269   6.286   9.248  -2.777
  118    HA   LEU 269           HA       LEU 269   5.064  10.712  -4.806
  119   1HB   LEU 269          1HB       LEU 269   4.598   7.826  -4.049
  120   2HB   LEU 269          2HB       LEU 269   4.156   8.556  -5.581
  121    HG   LEU 269           HG       LEU 269   6.977   8.253  -4.546
  122   1HD1  LEU 269          1HD1      LEU 269   7.173   6.629  -6.424
  123   2HD1  LEU 269          2HD1      LEU 269   5.423   6.725  -6.624
  124   3HD1  LEU 269          3HD1      LEU 269   6.106   6.103  -5.121
  125   1HD2  LEU 269          1HD2      LEU 269   5.956  10.050  -6.420
  126   2HD2  LEU 269          2HD2      LEU 269   6.683   8.753  -7.369
  127   3HD2  LEU 269          3HD2      LEU 269   7.646   9.615  -6.170
  128    H    SER 270           H        SER 270   3.617   9.028  -2.046
  129    HA   SER 270           HA       SER 270   0.926   9.504  -2.738
  130   1HB   SER 270          1HB       SER 270   2.144   9.092   0.004
  131   2HB   SER 270          2HB       SER 270   0.431   8.959  -0.387
  132    HG   SER 270           HG       SER 270   1.360   6.916  -0.404
  133    H    LEU 271           H        LEU 271   3.182  11.278  -0.656
  134    HA   LEU 271           HA       LEU 271   1.417  13.226   0.278
  135   1HB   LEU 271          1HB       LEU 271   4.378  13.432  -0.260
  136   2HB   LEU 271          2HB       LEU 271   3.449  14.605   0.654
  137    HG   LEU 271           HG       LEU 271   3.873  11.716   1.424
  138   1HD1  LEU 271          1HD1      LEU 271   5.746  13.586   1.587
  139   2HD1  LEU 271          2HD1      LEU 271   5.517  12.376   2.850
  140   3HD1  LEU 271          3HD1      LEU 271   4.850  13.996   3.049
  141   1HD2  LEU 271          1HD2      LEU 271   2.009  13.769   2.345
  142   2HD2  LEU 271          2HD2      LEU 271   2.974  13.054   3.636
  143   3HD2  LEU 271          3HD2      LEU 271   1.990  12.023   2.597
  144    H    LYS 272           H        LYS 272   3.352  13.143  -2.682
  145    HA   LYS 272           HA       LYS 272   2.975  15.757  -3.539
  146   1HB   LYS 272          1HB       LYS 272   3.200  13.240  -5.195
  147   2HB   LYS 272          2HB       LYS 272   3.356  14.872  -5.830
  148   1HG   LYS 272          1HG       LYS 272   5.152  13.586  -3.784
  149   2HG   LYS 272          2HG       LYS 272   5.532  13.855  -5.484
  150   1HD   LYS 272          1HD       LYS 272   4.901  16.050  -3.512
  151   2HD   LYS 272          2HD       LYS 272   6.533  15.534  -3.934
  152   1HE   LYS 272          1HE       LYS 272   6.032  17.462  -5.239
  153   2HE   LYS 272          2HE       LYS 272   5.993  16.070  -6.318
  154   1HZ   LYS 272          1HZ       LYS 272   3.498  16.996  -5.069
  155   2HZ   LYS 272          2HZ       LYS 272   3.726  16.194  -6.540
  156   3HZ   LYS 272          3HZ       LYS 272   4.114  17.834  -6.404
  157    H    GLU 273           H        GLU 273   0.967  12.898  -4.226
  158    HA   GLU 273           HA       GLU 273  -0.957  14.324  -5.752
  159   1HB   GLU 273          1HB       GLU 273  -1.216  11.684  -4.301
  160   2HB   GLU 273          2HB       GLU 273  -2.344  12.300  -5.501
  161   1HG   GLU 273          1HG       GLU 273   0.547  11.621  -5.986
  162   2HG   GLU 273          2HG       GLU 273  -0.842  10.639  -6.450
  163    H    SER 274           H        SER 274  -0.889  13.212  -2.387
  164    HA   SER 274           HA       SER 274  -3.416  14.436  -1.764
  165   1HB   SER 274          1HB       SER 274  -2.942  13.695   0.545
  166   2HB   SER 274          2HB       SER 274  -2.734  12.385  -0.618
  167    HG   SER 274           HG       SER 274  -0.876  12.214   0.382
  168    H    ARG 275           H        ARG 275  -2.136  16.478  -2.775
  169    HA   ARG 275           HA       ARG 275  -0.371  17.983  -1.280
  170   1HB   ARG 275          1HB       ARG 275  -2.677  19.020  -2.940
  171   2HB   ARG 275          2HB       ARG 275  -1.263  19.945  -2.454
  172   1HG   ARG 275          1HG       ARG 275   0.168  18.523  -3.786
  173   2HG   ARG 275          2HG       ARG 275  -1.206  17.502  -4.214
  174   1HD   ARG 275          1HD       ARG 275  -0.709  19.021  -6.031
  175   2HD   ARG 275          2HD       ARG 275  -2.268  19.427  -5.317
  176    HE   ARG 275           HE       ARG 275  -1.423  21.488  -4.878
  177   1HH1  ARG 275          1HH1      ARG 275   1.243  19.247  -5.041
  178   2HH1  ARG 275          2HH1      ARG 275   2.448  20.464  -4.787
  179   1HH2  ARG 275          1HH2      ARG 275   0.159  23.095  -4.547
  180   2HH2  ARG 275          2HH2      ARG 275   1.833  22.650  -4.504
  181    H    ASN 276           H        ASN 276  -0.482  19.217   0.509
  182    HA   ASN 276           HA       ASN 276  -1.261  20.087   2.459
  183   1HB   ASN 276          1HB       ASN 276  -3.750  20.514   0.794
  184   2HB   ASN 276          2HB       ASN 276  -3.464  21.237   2.373
  185   1HD2  ASN 276          1HD2      ASN 276  -0.513  21.110   0.997
  186   2HD2  ASN 276          2HD2      ASN 276  -0.466  22.662   0.243
  187    H    SER 277           H        SER 277  -1.297  17.365   2.391
  188    HA   SER 277           HA       SER 277  -2.130  15.521   3.423
  189   1HB   SER 277          1HB       SER 277  -3.645  17.597   5.024
  190   2HB   SER 277          2HB       SER 277  -3.470  15.901   5.472
  191    HG   SER 277           HG       SER 277  -1.917  17.208   6.511
  192    H    ALA 278           H        ALA 278  -4.923  15.548   4.644
  193    HA   ALA 278           HA       ALA 278  -6.991  14.817   4.045
  194   1HB   ALA 278          1HB       ALA 278  -7.039  16.339   1.519
  195   2HB   ALA 278          2HB       ALA 278  -6.727  17.273   2.982
  196   3HB   ALA 278          3HB       ALA 278  -8.196  16.305   2.850
  197   1H    MET   1          1H        MET   1 -14.805  -3.038  -2.949
  198   2H    MET   1          2H        MET   1 -16.235  -2.565  -3.720
  199   3H    MET   1          3H        MET   1 -15.806  -1.874  -2.237
  200    HA   MET   1           HA       MET   1 -15.314  -0.801  -4.664
  201   1HB   MET   1          1HB       MET   1 -13.878   0.758  -3.384
  202   2HB   MET   1          2HB       MET   1 -15.382   0.391  -2.551
  203   1HG   MET   1          1HG       MET   1 -14.202  -1.203  -1.125
  204   2HG   MET   1          2HG       MET   1 -12.694  -0.826  -1.957
  205   1HE   MET   1          1HE       MET   1 -11.388   1.767  -1.533
  206   2HE   MET   1          2HE       MET   1 -12.522   3.064  -1.153
  207   3HE   MET   1          3HE       MET   1 -12.809   2.019  -2.546
  208    H    GLN   2           H        GLN   2 -13.723  -0.717  -6.148
  209    HA   GLN   2           HA       GLN   2 -11.573  -2.674  -5.911
  210   1HB   GLN   2          1HB       GLN   2 -12.399  -0.963  -8.264
  211   2HB   GLN   2          2HB       GLN   2 -11.207  -2.255  -8.302
  212   1HG   GLN   2          1HG       GLN   2 -12.950  -3.874  -7.735
  213   2HG   GLN   2          2HG       GLN   2 -14.141  -2.575  -7.713
  214   1HE2  GLN   2          1HE2      GLN   2 -13.048  -5.036  -9.506
  215   2HE2  GLN   2          2HE2      GLN   2 -13.418  -4.459 -11.092
  216    H    ILE   3           H        ILE   3  -9.543  -2.131  -5.401
  217    HA   ILE   3           HA       ILE   3  -8.771   0.706  -5.616
  218    HB   ILE   3           HB       ILE   3  -7.086   0.244  -3.858
  219   1HG1  ILE   3          1HG1      ILE   3  -8.550  -2.394  -3.580
  220   2HG1  ILE   3          2HG1      ILE   3  -6.919  -2.198  -4.214
  221   1HG2  ILE   3          1HG2      ILE   3  -9.890   0.545  -3.587
  222   2HG2  ILE   3          2HG2      ILE   3  -8.620   1.092  -2.494
  223   3HG2  ILE   3          3HG2      ILE   3  -9.337  -0.505  -2.284
  224   1HD1  ILE   3          1HD1      ILE   3  -6.282  -2.636  -2.123
  225   2HD1  ILE   3          2HD1      ILE   3  -7.872  -2.261  -1.458
  226   3HD1  ILE   3          3HD1      ILE   3  -6.730  -0.961  -1.796
  227    H    PHE   4           H        PHE   4  -6.957   1.237  -6.733
  228    HA   PHE   4           HA       PHE   4  -5.764  -0.879  -8.313
  229   1HB   PHE   4          1HB       PHE   4  -6.187   1.926  -8.660
  230   2HB   PHE   4          2HB       PHE   4  -4.470   1.582  -8.848
  231    HD1  PHE   4           HD1      PHE   4  -4.330  -0.968 -10.132
  232    HD2  PHE   4           HD2      PHE   4  -7.153   2.170 -10.723
  233    HE1  PHE   4           HE1      PHE   4  -4.744  -1.771 -12.419
  234    HE2  PHE   4           HE2      PHE   4  -7.570   1.368 -13.010
  235    HZ   PHE   4           HZ       PHE   4  -6.365  -0.604 -13.862
  236    H    VAL   5           H        VAL   5  -4.299  -2.042  -7.311
  237    HA   VAL   5           HA       VAL   5  -2.409  -0.891  -5.445
  238    HB   VAL   5           HB       VAL   5  -2.487  -3.708  -6.534
  239   1HG1  VAL   5          1HG1      VAL   5  -1.073  -2.358  -4.291
  240   2HG1  VAL   5          2HG1      VAL   5  -0.491  -3.579  -5.423
  241   3HG1  VAL   5          3HG1      VAL   5  -1.565  -4.041  -4.101
  242   1HG2  VAL   5          1HG2      VAL   5  -4.352  -2.346  -4.795
  243   2HG2  VAL   5          2HG2      VAL   5  -3.592  -3.713  -3.978
  244   3HG2  VAL   5          3HG2      VAL   5  -4.444  -3.960  -5.502
  245    H    LYS   6           H        LYS   6  -0.344  -0.296  -5.939
  246    HA   LYS   6           HA       LYS   6   0.821  -1.242  -8.457
  247   1HB   LYS   6          1HB       LYS   6  -0.214   0.901  -8.988
  248   2HB   LYS   6          2HB       LYS   6   0.629   1.663  -7.646
  249   1HG   LYS   6          1HG       LYS   6   2.773   1.195  -8.746
  250   2HG   LYS   6          2HG       LYS   6   1.905   0.477 -10.103
  251   1HD   LYS   6          1HD       LYS   6   2.452   2.698 -10.740
  252   2HD   LYS   6          2HD       LYS   6   0.726   2.685 -10.377
  253   1HE   LYS   6          1HE       LYS   6   2.876   3.571  -8.457
  254   2HE   LYS   6          2HE       LYS   6   1.929   4.661  -9.468
  255   1HZ   LYS   6          1HZ       LYS   6   0.771   4.702  -7.507
  256   2HZ   LYS   6          2HZ       LYS   6   1.082   3.080  -7.140
  257   3HZ   LYS   6          3HZ       LYS   6  -0.058   3.475  -8.326
  258    H    THR   7           H        THR   7   2.917  -1.719  -8.334
  259    HA   THR   7           HA       THR   7   4.269  -1.365  -5.786
  260    HB   THR   7           HB       THR   7   6.002  -2.822  -6.708
  261    HG1  THR   7           HG1      THR   7   4.619  -2.293  -9.089
  262   1HG2  THR   7          1HG2      THR   7   3.309  -3.970  -7.426
  263   2HG2  THR   7          2HG2      THR   7   3.854  -3.755  -5.763
  264   3HG2  THR   7          3HG2      THR   7   4.734  -4.832  -6.847
  265    H    LEU   8           H        LEU   8   5.709   0.193  -5.380
  266    HA   LEU   8           HA       LEU   8   7.002   2.041  -5.665
  267   1HB   LEU   8          1HB       LEU   8   7.920   0.247  -7.893
  268   2HB   LEU   8          2HB       LEU   8   8.648   1.821  -7.640
  269    HG   LEU   8           HG       LEU   8   9.396   1.170  -5.424
  270   1HD1  LEU   8          1HD1      LEU   8   7.794  -0.260  -4.549
  271   2HD1  LEU   8          2HD1      LEU   8   9.157  -1.335  -4.863
  272   3HD1  LEU   8          3HD1      LEU   8   7.791  -1.295  -5.978
  273   1HD2  LEU   8          1HD2      LEU   8  10.605   0.506  -7.626
  274   2HD2  LEU   8          2HD2      LEU   8  10.154  -1.135  -7.165
  275   3HD2  LEU   8          3HD2      LEU   8  11.158  -0.162  -6.090
  276    H    THR   9           H        THR   9   7.282   1.820  -9.081
  277    HA   THR   9           HA       THR   9   5.016   3.539  -9.625
  278    HB   THR   9           HB       THR   9   7.801   4.578 -10.184
  279    HG1  THR   9           HG1      THR   9   6.390   6.110  -8.494
  280   1HG2  THR   9          1HG2      THR   9   6.422   6.723 -10.510
  281   2HG2  THR   9          2HG2      THR   9   5.028   5.649 -10.631
  282   3HG2  THR   9          3HG2      THR   9   6.355   5.506 -11.784
  283    H    GLY  10           H        GLY  10   5.068   1.161 -10.684
  284   1HA   GLY  10          1HA       GLY  10   5.493   1.663 -13.492
  285   2HA   GLY  10          2HA       GLY  10   6.588   0.462 -12.830
  286    H    LYS  11           H        LYS  11   5.220  -1.175 -11.320
  287    HA   LYS  11           HA       LYS  11   3.423  -2.449 -13.182
  288   1HB   LYS  11          1HB       LYS  11   5.113  -3.688 -11.794
  289   2HB   LYS  11          2HB       LYS  11   4.130  -3.332 -10.381
  290   1HG   LYS  11          1HG       LYS  11   3.643  -5.553 -11.116
  291   2HG   LYS  11          2HG       LYS  11   2.242  -4.534 -11.454
  292   1HD   LYS  11          1HD       LYS  11   3.003  -4.316 -13.789
  293   2HD   LYS  11          2HD       LYS  11   4.353  -5.393 -13.430
  294   1HE   LYS  11          1HE       LYS  11   2.566  -6.625 -14.506
  295   2HE   LYS  11          2HE       LYS  11   2.759  -7.167 -12.839
  296   1HZ   LYS  11          1HZ       LYS  11   0.907  -5.085 -12.843
  297   2HZ   LYS  11          2HZ       LYS  11   0.632  -6.720 -12.510
  298   3HZ   LYS  11          3HZ       LYS  11   0.465  -6.140 -14.090
  299    H    THR  12           H        THR  12   1.324  -2.068 -13.277
  300    HA   THR  12           HA       THR  12  -0.066  -1.125 -10.852
  301    HB   THR  12           HB       THR  12  -0.881  -0.660 -13.729
  302    HG1  THR  12           HG1      THR  12   0.967   0.576 -12.222
  303   1HG2  THR  12          1HG2      THR  12  -1.884   0.747 -11.264
  304   2HG2  THR  12          2HG2      THR  12  -2.663  -0.699 -11.908
  305   3HG2  THR  12          3HG2      THR  12  -2.568   0.764 -12.890
  306    H    ILE  13           H        ILE  13  -1.885  -2.196 -10.167
  307    HA   ILE  13           HA       ILE  13  -3.111  -4.234 -11.860
  308    HB   ILE  13           HB       ILE  13  -2.068  -4.961  -9.124
  309   1HG1  ILE  13          1HG1      ILE  13  -0.966  -5.794 -11.816
  310   2HG1  ILE  13          2HG1      ILE  13  -0.222  -4.610 -10.743
  311   1HG2  ILE  13          1HG2      ILE  13  -2.599  -7.206 -10.767
  312   2HG2  ILE  13          2HG2      ILE  13  -3.995  -6.131 -10.852
  313   3HG2  ILE  13          3HG2      ILE  13  -3.420  -6.707  -9.287
  314   1HD1  ILE  13          1HD1      ILE  13   0.384  -6.211  -9.192
  315   2HD1  ILE  13          2HD1      ILE  13   0.656  -7.020 -10.735
  316   3HD1  ILE  13          3HD1      ILE  13  -0.790  -7.381  -9.792
  317    H    THR  14           H        THR  14  -5.224  -4.647 -11.359
  318    HA   THR  14           HA       THR  14  -6.483  -2.897  -9.411
  319    HB   THR  14           HB       THR  14  -7.736  -4.886 -11.321
  320    HG1  THR  14           HG1      THR  14  -7.379  -3.366 -12.741
  321   1HG2  THR  14          1HG2      THR  14  -8.840  -3.000  -9.308
  322   2HG2  THR  14          2HG2      THR  14  -9.440  -4.574  -9.831
  323   3HG2  THR  14          3HG2      THR  14  -9.695  -3.153 -10.843
  324    H    LEU  15           H        LEU  15  -7.558  -3.582  -7.556
  325    HA   LEU  15           HA       LEU  15  -7.717  -6.436  -7.000
  326   1HB   LEU  15          1HB       LEU  15  -5.470  -5.661  -6.220
  327   2HB   LEU  15          2HB       LEU  15  -6.268  -4.563  -5.115
  328    HG   LEU  15           HG       LEU  15  -5.418  -6.661  -4.062
  329   1HD1  LEU  15          1HD1      LEU  15  -8.185  -7.100  -3.499
  330   2HD1  LEU  15          2HD1      LEU  15  -7.883  -5.371  -3.670
  331   3HD1  LEU  15          3HD1      LEU  15  -6.954  -6.318  -2.507
  332   1HD2  LEU  15          1HD2      LEU  15  -6.257  -7.977  -6.197
  333   2HD2  LEU  15          2HD2      LEU  15  -7.702  -8.172  -5.204
  334   3HD2  LEU  15          3HD2      LEU  15  -6.142  -8.746  -4.613
  335    H    GLU  16           H        GLU  16  -9.682  -6.802  -6.364
  336    HA   GLU  16           HA       GLU  16 -11.373  -4.720  -5.326
  337   1HB   GLU  16          1HB       GLU  16 -12.372  -6.264  -6.847
  338   2HB   GLU  16          2HB       GLU  16 -11.816  -7.645  -5.914
  339   1HG   GLU  16          1HG       GLU  16 -14.178  -7.336  -5.590
  340   2HG   GLU  16          2HG       GLU  16 -13.325  -7.000  -4.087
  341    H    VAL  17           H        VAL  17 -12.090  -4.431  -3.294
  342    HA   VAL  17           HA       VAL  17 -11.847  -6.424  -1.255
  343    HB   VAL  17           HB       VAL  17  -9.517  -5.662  -1.309
  344   1HG1  VAL  17          1HG1      VAL  17  -8.940  -3.536  -1.574
  345   2HG1  VAL  17          2HG1      VAL  17  -9.861  -3.060  -0.147
  346   3HG1  VAL  17          3HG1      VAL  17 -10.651  -3.135  -1.722
  347   1HG2  VAL  17          1HG2      VAL  17  -9.374  -5.912   0.904
  348   2HG2  VAL  17          2HG2      VAL  17 -11.137  -5.935   0.903
  349   3HG2  VAL  17          3HG2      VAL  17 -10.276  -4.428   1.213
  350    H    GLU  18           H        GLU  18 -13.347  -6.102   0.260
  351    HA   GLU  18           HA       GLU  18 -15.175  -3.952   0.041
  352   1HB   GLU  18          1HB       GLU  18 -14.834  -5.989   2.249
  353   2HB   GLU  18          2HB       GLU  18 -16.217  -4.917   2.068
  354   1HG   GLU  18          1HG       GLU  18 -16.732  -5.958  -0.087
  355   2HG   GLU  18          2HG       GLU  18 -15.359  -7.044   0.118
  356    H    SER  19           H        SER  19 -15.406  -2.101   1.181
  357    HA   SER  19           HA       SER  19 -13.183  -0.936   2.425
  358   1HB   SER  19          1HB       SER  19 -14.952   0.412   1.411
  359   2HB   SER  19          2HB       SER  19 -16.105  -0.163   2.615
  360    HG   SER  19           HG       SER  19 -13.974   1.635   2.896
  361    H    SER  20           H        SER  20 -16.017  -2.556   3.757
  362    HA   SER  20           HA       SER  20 -15.655  -1.955   6.455
  363   1HB   SER  20          1HB       SER  20 -17.010  -3.969   6.901
  364   2HB   SER  20          2HB       SER  20 -17.693  -3.005   5.591
  365    HG   SER  20           HG       SER  20 -16.676  -4.464   4.125
  366    H    ASP  21           H        ASP  21 -14.281  -4.554   4.489
  367    HA   ASP  21           HA       ASP  21 -13.068  -6.036   6.513
  368   1HB   ASP  21          1HB       ASP  21 -12.130  -5.600   3.670
  369   2HB   ASP  21          2HB       ASP  21 -11.549  -6.869   4.744
  370    H    THR  22           H        THR  22 -11.249  -5.835   7.682
  371    HA   THR  22           HA       THR  22  -9.995  -3.314   7.927
  372    HB   THR  22           HB       THR  22  -8.454  -4.425   9.490
  373    HG1  THR  22           HG1      THR  22  -8.108  -6.426   8.655
  374   1HG2  THR  22          1HG2      THR  22 -11.395  -4.779   9.649
  375   2HG2  THR  22          2HG2      THR  22 -10.306  -3.868  10.696
  376   3HG2  THR  22          3HG2      THR  22 -10.414  -5.622  10.848
  377    H    ILE  23           H        ILE  23  -7.447  -3.320   8.047
  378    HA   ILE  23           HA       ILE  23  -6.508  -3.404   5.402
  379    HB   ILE  23           HB       ILE  23  -4.943  -3.261   7.980
  380   1HG1  ILE  23          1HG1      ILE  23  -6.505  -1.402   7.679
  381   2HG1  ILE  23          2HG1      ILE  23  -4.844  -0.849   7.496
  382   1HG2  ILE  23          1HG2      ILE  23  -3.700  -4.035   5.879
  383   2HG2  ILE  23          2HG2      ILE  23  -3.031  -2.670   6.774
  384   3HG2  ILE  23          3HG2      ILE  23  -3.942  -2.390   5.290
  385   1HD1  ILE  23          1HD1      ILE  23  -6.915  -1.259   5.368
  386   2HD1  ILE  23          2HD1      ILE  23  -5.200  -1.089   4.997
  387   3HD1  ILE  23          3HD1      ILE  23  -6.061   0.220   5.806
  388    H    ASP  24           H        ASP  24  -5.953  -5.610   8.138
  389    HA   ASP  24           HA       ASP  24  -4.090  -7.308   7.019
  390   1HB   ASP  24          1HB       ASP  24  -6.406  -8.018   8.831
  391   2HB   ASP  24          2HB       ASP  24  -5.040  -9.076   8.495
  392    H    ASN  25           H        ASN  25  -7.625  -7.432   6.694
  393    HA   ASN  25           HA       ASN  25  -7.768  -9.766   5.148
  394   1HB   ASN  25          1HB       ASN  25  -9.728  -8.682   6.214
  395   2HB   ASN  25          2HB       ASN  25  -9.612  -7.364   5.051
  396   1HD2  ASN  25          1HD2      ASN  25 -11.207 -10.120   5.747
  397   2HD2  ASN  25          2HD2      ASN  25 -11.737 -10.568   4.165
  398    H    VAL  26           H        VAL  26  -7.369  -6.373   4.242
  399    HA   VAL  26           HA       VAL  26  -7.548  -6.634   1.468
  400    HB   VAL  26           HB       VAL  26  -5.756  -4.731   2.990
  401   1HG1  VAL  26          1HG1      VAL  26  -6.626  -4.927   0.150
  402   2HG1  VAL  26          2HG1      VAL  26  -5.064  -4.462   0.824
  403   3HG1  VAL  26          3HG1      VAL  26  -6.415  -3.328   0.862
  404   1HG2  VAL  26          1HG2      VAL  26  -8.095  -3.445   2.091
  405   2HG2  VAL  26          2HG2      VAL  26  -7.603  -3.763   3.754
  406   3HG2  VAL  26          3HG2      VAL  26  -8.608  -4.929   2.893
  407    H    LYS  27           H        LYS  27  -4.775  -6.969   3.645
  408    HA   LYS  27           HA       LYS  27  -2.827  -7.397   1.656
  409   1HB   LYS  27          1HB       LYS  27  -2.864  -8.404   4.509
  410   2HB   LYS  27          2HB       LYS  27  -1.451  -8.334   3.465
  411   1HG   LYS  27          1HG       LYS  27  -3.043  -5.981   4.460
  412   2HG   LYS  27          2HG       LYS  27  -1.457  -6.493   5.037
  413   1HD   LYS  27          1HD       LYS  27  -0.499  -6.056   2.840
  414   2HD   LYS  27          2HD       LYS  27  -2.088  -5.599   2.222
  415   1HE   LYS  27          1HE       LYS  27  -0.775  -3.620   2.751
  416   2HE   LYS  27          2HE       LYS  27  -2.169  -3.746   3.823
  417   1HZ   LYS  27          1HZ       LYS  27  -0.760  -4.588   5.558
  418   2HZ   LYS  27          2HZ       LYS  27  -0.113  -3.133   4.990
  419   3HZ   LYS  27          3HZ       LYS  27   0.585  -4.603   4.531
  420    H    SER  28           H        SER  28  -5.023  -9.556   3.359
  421    HA   SER  28           HA       SER  28  -3.941 -12.009   2.558
  422   1HB   SER  28          1HB       SER  28  -6.848 -11.297   3.034
  423   2HB   SER  28          2HB       SER  28  -6.190 -12.932   2.984
  424    HG   SER  28           HG       SER  28  -4.754 -11.489   4.702
  425    H    LYS  29           H        LYS  29  -6.399  -9.960   1.020
  426    HA   LYS  29           HA       LYS  29  -6.894 -11.613  -1.200
  427   1HB   LYS  29          1HB       LYS  29  -7.108  -8.608  -0.932
  428   2HB   LYS  29          2HB       LYS  29  -7.755  -9.537  -2.277
  429   1HG   LYS  29          1HG       LYS  29  -9.245 -10.720  -0.758
  430   2HG   LYS  29          2HG       LYS  29  -8.583  -9.816   0.605
  431   1HD   LYS  29          1HD       LYS  29  -9.386  -7.736  -0.358
  432   2HD   LYS  29          2HD       LYS  29  -9.989  -8.600  -1.772
  433   1HE   LYS  29          1HE       LYS  29 -10.936  -8.964   1.069
  434   2HE   LYS  29          2HE       LYS  29 -11.791  -8.094  -0.204
  435   1HZ   LYS  29          1HZ       LYS  29 -11.197 -10.999  -0.109
  436   2HZ   LYS  29          2HZ       LYS  29 -11.824 -10.215  -1.471
  437   3HZ   LYS  29          3HZ       LYS  29 -12.718 -10.261  -0.036
  438    H    ILE  30           H        ILE  30  -4.647  -8.904  -0.752
  439    HA   ILE  30           HA       ILE  30  -3.581  -8.872  -3.345
  440    HB   ILE  30           HB       ILE  30  -2.277  -8.085  -0.731
  441   1HG1  ILE  30          1HG1      ILE  30  -3.695  -6.444  -2.844
  442   2HG1  ILE  30          2HG1      ILE  30  -4.331  -6.841  -1.252
  443   1HG2  ILE  30          1HG2      ILE  30  -1.434  -7.591  -3.580
  444   2HG2  ILE  30          2HG2      ILE  30  -0.534  -8.431  -2.318
  445   3HG2  ILE  30          3HG2      ILE  30  -0.800  -6.692  -2.202
  446   1HD1  ILE  30          1HD1      ILE  30  -2.588  -4.698  -2.052
  447   2HD1  ILE  30          2HD1      ILE  30  -1.868  -5.653  -0.755
  448   3HD1  ILE  30          3HD1      ILE  30  -3.465  -4.934  -0.540
  449    H    GLN  31           H        GLN  31  -2.721 -10.718  -0.477
  450    HA   GLN  31           HA       GLN  31  -0.324 -11.848  -1.386
  451   1HB   GLN  31          1HB       GLN  31  -0.999 -11.958   0.951
  452   2HB   GLN  31          2HB       GLN  31  -2.385 -12.956   0.529
  453   1HG   GLN  31          1HG       GLN  31  -0.863 -14.719  -0.239
  454   2HG   GLN  31          2HG       GLN  31   0.509 -13.723   0.235
  455   1HE2  GLN  31          1HE2      GLN  31  -1.911 -13.145   2.403
  456   2HE2  GLN  31          2HE2      GLN  31  -1.468 -14.278   3.628
  457    H    ASP  32           H        ASP  32  -3.667 -13.001  -1.611
  458    HA   ASP  32           HA       ASP  32  -3.063 -15.441  -2.895
  459   1HB   ASP  32          1HB       ASP  32  -5.214 -14.954  -1.759
  460   2HB   ASP  32          2HB       ASP  32  -5.615 -13.823  -3.046
  461    H    LYS  33           H        LYS  33  -3.842 -12.227  -4.133
  462    HA   LYS  33           HA       LYS  33  -4.048 -12.960  -6.851
  463   1HB   LYS  33          1HB       LYS  33  -4.959 -10.868  -5.897
  464   2HB   LYS  33          2HB       LYS  33  -3.320 -10.275  -5.674
  465   1HG   LYS  33          1HG       LYS  33  -4.280  -9.297  -7.652
  466   2HG   LYS  33          2HG       LYS  33  -2.970 -10.389  -8.108
  467   1HD   LYS  33          1HD       LYS  33  -4.592 -12.122  -8.663
  468   2HD   LYS  33          2HD       LYS  33  -5.913 -11.060  -8.168
  469   1HE   LYS  33          1HE       LYS  33  -3.974 -10.546 -10.422
  470   2HE   LYS  33          2HE       LYS  33  -5.641 -11.091 -10.600
  471   1HZ   LYS  33          1HZ       LYS  33  -6.451  -9.048  -9.802
  472   2HZ   LYS  33          2HZ       LYS  33  -5.236  -8.645 -10.908
  473   3HZ   LYS  33          3HZ       LYS  33  -4.930  -8.555  -9.247
  474    H    GLU  34           H        GLU  34  -1.469 -10.929  -5.450
  475    HA   GLU  34           HA       GLU  34   0.295 -11.485  -7.614
  476   1HB   GLU  34          1HB       GLU  34   0.864 -10.186  -4.947
  477   2HB   GLU  34          2HB       GLU  34   1.945 -10.183  -6.332
  478   1HG   GLU  34          1HG       GLU  34   0.272  -8.946  -7.626
  479   2HG   GLU  34          2HG       GLU  34  -0.786  -8.923  -6.216
  480    H    GLY  35           H        GLY  35   0.048 -12.699  -4.305
  481   1HA   GLY  35          1HA       GLY  35   0.803 -14.820  -3.603
  482   2HA   GLY  35          2HA       GLY  35   1.799 -14.918  -5.050
  483    H    ILE  36           H        ILE  36   1.567 -12.426  -2.544
  484    HA   ILE  36           HA       ILE  36   4.410 -12.881  -1.905
  485    HB   ILE  36           HB       ILE  36   3.043 -10.188  -1.968
  486   1HG1  ILE  36          1HG1      ILE  36   3.206 -11.057  -4.242
  487   2HG1  ILE  36          2HG1      ILE  36   4.357  -9.747  -4.011
  488   1HG2  ILE  36          1HG2      ILE  36   5.960 -10.907  -1.735
  489   2HG2  ILE  36          2HG2      ILE  36   4.924 -10.389  -0.406
  490   3HG2  ILE  36          3HG2      ILE  36   5.277  -9.281  -1.732
  491   1HD1  ILE  36          1HD1      ILE  36   5.674 -12.171  -3.382
  492   2HD1  ILE  36          2HD1      ILE  36   5.978 -11.065  -4.723
  493   3HD1  ILE  36          3HD1      ILE  36   4.827 -12.388  -4.914
  494    HA   PRO  37           HA       PRO  37   3.035 -13.450   2.290
  495   1HB   PRO  37          1HB       PRO  37   5.624 -12.135   2.951
  496   2HB   PRO  37          2HB       PRO  37   4.964 -13.670   3.524
  497   1HG   PRO  37          1HG       PRO  37   6.912 -13.626   1.713
  498   2HG   PRO  37          2HG       PRO  37   5.596 -14.810   1.606
  499   1HD   PRO  37          1HD       PRO  37   6.042 -12.321   0.019
  500   2HD   PRO  37          2HD       PRO  37   5.374 -13.884  -0.495
  501    HA   PRO  38           HA       PRO  38   1.237  -9.482   3.228
  502   1HB   PRO  38          1HB       PRO  38   0.967 -10.603   5.959
  503   2HB   PRO  38          2HB       PRO  38  -0.271  -9.945   4.885
  504   1HG   PRO  38          1HG       PRO  38  -0.078 -12.572   5.313
  505   2HG   PRO  38          2HG       PRO  38  -0.496 -11.930   3.713
  506   1HD   PRO  38          1HD       PRO  38   2.108 -13.023   4.700
  507   2HD   PRO  38          2HD       PRO  38   1.330 -13.217   3.115
  508    H    ASP  39           H        ASP  39   3.314 -10.908   5.759
  509    HA   ASP  39           HA       ASP  39   3.993  -8.473   6.986
  510   1HB   ASP  39          1HB       ASP  39   4.293 -10.651   8.082
  511   2HB   ASP  39          2HB       ASP  39   5.552 -11.065   6.923
  512    H    GLN  40           H        GLN  40   5.589 -10.330   4.429
  513    HA   GLN  40           HA       GLN  40   7.940  -8.838   4.254
  514   1HB   GLN  40          1HB       GLN  40   7.672 -10.986   3.142
  515   2HB   GLN  40          2HB       GLN  40   6.446 -10.309   2.078
  516   1HG   GLN  40          1HG       GLN  40   8.123  -8.808   1.114
  517   2HG   GLN  40          2HG       GLN  40   9.348  -9.513   2.167
  518   1HE2  GLN  40          1HE2      GLN  40  10.599 -10.895   1.151
  519   2HE2  GLN  40          2HE2      GLN  40  10.125 -11.964  -0.120
  520    H    GLN  41           H        GLN  41   5.013  -8.524   2.223
  521    HA   GLN  41           HA       GLN  41   5.975  -6.062   1.089
  522   1HB   GLN  41          1HB       GLN  41   3.873  -6.029  -0.148
  523   2HB   GLN  41          2HB       GLN  41   4.635  -7.609  -0.251
  524   1HG   GLN  41          1HG       GLN  41   3.104  -8.476   1.427
  525   2HG   GLN  41          2HG       GLN  41   2.357  -6.886   1.579
  526   1HE2  GLN  41          1HE2      GLN  41   1.926  -9.823   0.293
  527   2HE2  GLN  41          2HE2      GLN  41   0.943  -9.428  -1.071
  528    H    ARG  42           H        ARG  42   5.442  -4.016   1.593
  529    HA   ARG  42           HA       ARG  42   3.516  -3.623   3.791
  530   1HB   ARG  42          1HB       ARG  42   6.018  -2.032   3.187
  531   2HB   ARG  42          2HB       ARG  42   4.858  -1.652   4.452
  532   1HG   ARG  42          1HG       ARG  42   5.367  -3.755   5.570
  533   2HG   ARG  42          2HG       ARG  42   6.512  -4.164   4.291
  534   1HD   ARG  42          1HD       ARG  42   7.850  -2.198   4.860
  535   2HD   ARG  42          2HD       ARG  42   6.701  -1.780   6.131
  536    HE   ARG  42           HE       ARG  42   7.604  -4.389   6.582
  537   1HH1  ARG  42          1HH1      ARG  42   8.823  -1.122   6.607
  538   2HH1  ARG  42          2HH1      ARG  42  10.029  -1.447   7.807
  539   1HH2  ARG  42          1HH2      ARG  42   9.191  -4.820   8.160
  540   2HH2  ARG  42          2HH2      ARG  42  10.240  -3.547   8.686
  541    H    LEU  43           H        LEU  43   1.722  -2.711   3.044
  542    HA   LEU  43           HA       LEU  43   1.779  -1.140   0.610
  543   1HB   LEU  43          1HB       LEU  43   0.025  -2.832   1.009
  544   2HB   LEU  43          2HB       LEU  43  -0.547  -1.897   2.376
  545    HG   LEU  43           HG       LEU  43  -1.212  -0.082   0.910
  546   1HD1  LEU  43          1HD1      LEU  43   0.058   0.138  -0.937
  547   2HD1  LEU  43          2HD1      LEU  43  -1.134  -0.945  -1.655
  548   3HD1  LEU  43          3HD1      LEU  43   0.388  -1.591  -1.041
  549   1HD2  LEU  43          1HD2      LEU  43  -2.859  -1.785   1.287
  550   2HD2  LEU  43          2HD2      LEU  43  -2.169  -2.795   0.018
  551   3HD2  LEU  43          3HD2      LEU  43  -2.957  -1.274  -0.398
  552    H    ILE  44           H        ILE  44   2.044   0.954   0.585
  553    HA   ILE  44           HA       ILE  44   1.483   2.521   3.001
  554    HB   ILE  44           HB       ILE  44   3.260   3.221   0.660
  555   1HG1  ILE  44          1HG1      ILE  44   3.967   2.356   3.475
  556   2HG1  ILE  44          2HG1      ILE  44   4.146   1.370   2.028
  557   1HG2  ILE  44          1HG2      ILE  44   2.075   5.059   2.079
  558   2HG2  ILE  44          2HG2      ILE  44   3.792   5.207   1.704
  559   3HG2  ILE  44          3HG2      ILE  44   3.282   4.632   3.292
  560   1HD1  ILE  44          1HD1      ILE  44   5.587   3.958   2.559
  561   2HD1  ILE  44          2HD1      ILE  44   5.802   2.908   1.158
  562   3HD1  ILE  44          3HD1      ILE  44   6.263   2.342   2.763
  563    H    PHE  45           H        PHE  45   0.274   4.359   2.931
  564    HA   PHE  45           HA       PHE  45  -0.834   5.311   0.420
  565   1HB   PHE  45          1HB       PHE  45  -2.440   3.590   1.047
  566   2HB   PHE  45          2HB       PHE  45  -2.569   4.261   2.669
  567    HD1  PHE  45           HD1      PHE  45  -2.679   5.794  -0.735
  568    HD2  PHE  45           HD2      PHE  45  -4.656   5.152   2.980
  569    HE1  PHE  45           HE1      PHE  45  -4.533   7.231  -1.477
  570    HE2  PHE  45           HE2      PHE  45  -6.513   6.587   2.243
  571    HZ   PHE  45           HZ       PHE  45  -6.453   7.629   0.012
  572    H    ALA  46           H        ALA  46  -1.227   7.469   0.466
  573    HA   ALA  46           HA       ALA  46  -1.099   9.626   1.193
  574   1HB   ALA  46          1HB       ALA  46  -2.929   8.252   2.892
  575   2HB   ALA  46          2HB       ALA  46  -2.926   9.949   2.413
  576   3HB   ALA  46          3HB       ALA  46  -2.045   9.438   3.853
  577    H    GLY  47           H        GLY  47   1.229   8.057   1.525
  578   1HA   GLY  47          1HA       GLY  47   3.301   8.185   2.496
  579   2HA   GLY  47          2HA       GLY  47   2.784   9.730   3.154
  580    H    LYS  48           H        LYS  48   1.230   6.647   3.831
  581    HA   LYS  48           HA       LYS  48   2.543   6.388   6.402
  582   1HB   LYS  48          1HB       LYS  48  -0.421   6.960   6.203
  583   2HB   LYS  48          2HB       LYS  48   0.386   6.390   7.656
  584   1HG   LYS  48          1HG       LYS  48   1.735   8.428   7.708
  585   2HG   LYS  48          2HG       LYS  48   0.924   9.000   6.250
  586   1HD   LYS  48          1HD       LYS  48  -0.065  10.039   8.201
  587   2HD   LYS  48          2HD       LYS  48  -1.228   8.940   7.458
  588   1HE   LYS  48          1HE       LYS  48  -0.677   7.233   9.120
  589   2HE   LYS  48          2HE       LYS  48   0.493   8.326   9.858
  590   1HZ   LYS  48          1HZ       LYS  48  -1.411   9.882  10.228
  591   2HZ   LYS  48          2HZ       LYS  48  -1.480   8.451  11.127
  592   3HZ   LYS  48          3HZ       LYS  48  -2.454   8.636   9.756
  593    H    GLN  49           H        GLN  49   2.724   4.305   6.943
  594    HA   GLN  49           HA       GLN  49   1.823   2.253   5.228
  595   1HB   GLN  49          1HB       GLN  49   3.834   2.004   6.581
  596   2HB   GLN  49          2HB       GLN  49   2.886   2.113   8.057
  597   1HG   GLN  49          1HG       GLN  49   3.431  -0.170   7.695
  598   2HG   GLN  49          2HG       GLN  49   1.710   0.034   7.386
  599   1HE2  GLN  49          1HE2      GLN  49   3.431   1.382   4.872
  600   2HE2  GLN  49          2HE2      GLN  49   3.392   0.048   3.777
  601    H    LEU  50           H        LEU  50   0.034   0.992   5.249
  602    HA   LEU  50           HA       LEU  50  -2.237   1.794   6.710
  603   1HB   LEU  50          1HB       LEU  50  -1.666  -0.762   5.213
  604   2HB   LEU  50          2HB       LEU  50  -3.238  -0.344   5.867
  605    HG   LEU  50           HG       LEU  50  -1.757   1.225   3.752
  606   1HD1  LEU  50          1HD1      LEU  50  -4.330  -0.195   3.282
  607   2HD1  LEU  50          2HD1      LEU  50  -2.829  -1.121   3.264
  608   3HD1  LEU  50          3HD1      LEU  50  -3.047   0.227   2.147
  609   1HD2  LEU  50          1HD2      LEU  50  -3.101   2.895   4.355
  610   2HD2  LEU  50          2HD2      LEU  50  -4.007   1.860   5.459
  611   3HD2  LEU  50          3HD2      LEU  50  -4.442   1.922   3.751
  612    H    GLU  51           H        GLU  51  -2.889   1.347   8.707
  613    HA   GLU  51           HA       GLU  51  -1.306  -0.344  10.403
  614   1HB   GLU  51          1HB       GLU  51  -3.917   1.062  10.996
  615   2HB   GLU  51          2HB       GLU  51  -2.823   0.364  12.182
  616   1HG   GLU  51          1HG       GLU  51  -1.100   1.970  11.555
  617   2HG   GLU  51          2HG       GLU  51  -2.185   2.669  10.353
  618    H    ASP  52           H        ASP  52  -1.630  -2.408  10.896
  619    HA   ASP  52           HA       ASP  52  -3.568  -3.981   9.608
  620   1HB   ASP  52          1HB       ASP  52  -1.884  -4.611  12.041
  621   2HB   ASP  52          2HB       ASP  52  -2.779  -5.796  11.095
  622    H    GLY  53           H        GLY  53  -5.529  -4.731  10.211
  623   1HA   GLY  53          1HA       GLY  53  -7.407  -5.089  11.502
  624   2HA   GLY  53          2HA       GLY  53  -6.481  -4.598  12.911
  625    H    ARG  54           H        ARG  54  -7.078  -2.721   9.972
  626    HA   ARG  54           HA       ARG  54  -8.767  -0.897  11.544
  627   1HB   ARG  54          1HB       ARG  54  -6.538  -0.131   9.660
  628   2HB   ARG  54          2HB       ARG  54  -7.712   1.002  10.307
  629   1HG   ARG  54          1HG       ARG  54  -5.975  -0.673  12.089
  630   2HG   ARG  54          2HG       ARG  54  -5.447   0.885  11.451
  631   1HD   ARG  54          1HD       ARG  54  -6.378   1.177  13.665
  632   2HD   ARG  54          2HD       ARG  54  -7.420   1.946  12.471
  633    HE   ARG  54           HE       ARG  54  -8.343  -0.661  12.942
  634   1HH1  ARG  54          1HH1      ARG  54  -8.094   2.421  14.547
  635   2HH1  ARG  54          2HH1      ARG  54  -9.480   2.155  15.550
  636   1HH2  ARG  54          1HH2      ARG  54 -10.170  -1.020  14.257
  637   2HH2  ARG  54          2HH2      ARG  54 -10.660   0.198  15.386
  638    H    THR  55           H        THR  55 -10.596  -0.310  10.589
  639    HA   THR  55           HA       THR  55 -11.348  -1.500   8.104
  640    HB   THR  55           HB       THR  55 -13.509  -0.388   8.426
  641    HG1  THR  55           HG1      THR  55 -12.270   1.469   9.584
  642   1HG2  THR  55          1HG2      THR  55 -14.007  -2.070   9.797
  643   2HG2  THR  55          2HG2      THR  55 -13.311  -1.188  11.156
  644   3HG2  THR  55          3HG2      THR  55 -12.297  -2.253  10.183
  645    H    LEU  56           H        LEU  56 -11.576  -0.619   6.123
  646    HA   LEU  56           HA       LEU  56 -10.095   1.676   5.436
  647   1HB   LEU  56          1HB       LEU  56 -12.244   0.284   3.836
  648   2HB   LEU  56          2HB       LEU  56 -11.048   1.397   3.200
  649    HG   LEU  56           HG       LEU  56 -10.483  -1.323   4.384
  650   1HD1  LEU  56          1HD1      LEU  56  -9.571  -1.427   1.866
  651   2HD1  LEU  56          2HD1      LEU  56 -10.921  -0.313   1.646
  652   3HD1  LEU  56          3HD1      LEU  56 -11.202  -1.916   2.328
  653   1HD2  LEU  56          1HD2      LEU  56  -8.507   0.427   2.963
  654   2HD2  LEU  56          2HD2      LEU  56  -8.211  -0.975   3.990
  655   3HD2  LEU  56          3HD2      LEU  56  -8.747   0.545   4.706
  656    H    SER  57           H        SER  57 -13.437   1.184   6.274
  657    HA   SER  57           HA       SER  57 -14.665   3.412   5.212
  658   1HB   SER  57          1HB       SER  57 -16.267   3.236   7.088
  659   2HB   SER  57          2HB       SER  57 -15.896   1.659   6.392
  660    HG   SER  57           HG       SER  57 -15.847   1.983   8.814
  661    H    ASP  58           H        ASP  58 -12.844   3.162   8.250
  662    HA   ASP  58           HA       ASP  58 -13.288   5.757   9.188
  663   1HB   ASP  58          1HB       ASP  58 -10.837   4.018   9.550
  664   2HB   ASP  58          2HB       ASP  58 -11.223   5.441  10.511
  665    H    TYR  59           H        TYR  59 -10.875   4.483   6.962
  666    HA   TYR  59           HA       TYR  59  -9.417   6.917   6.699
  667   1HB   TYR  59          1HB       TYR  59  -9.522   4.444   4.962
  668   2HB   TYR  59          2HB       TYR  59  -8.420   5.787   4.688
  669    HD1  TYR  59           HD1      TYR  59  -6.269   5.199   5.242
  670    HD2  TYR  59           HD2      TYR  59  -9.441   3.871   7.748
  671    HE1  TYR  59           HE1      TYR  59  -4.631   4.172   6.762
  672    HE2  TYR  59           HE2      TYR  59  -7.811   2.844   9.276
  673    HH   TYR  59           HH       TYR  59  -4.833   3.546   9.534
  674    H    ASN  60           H        ASN  60 -12.245   5.585   5.193
  675    HA   ASN  60           HA       ASN  60 -13.740   6.416   3.697
  676   1HB   ASN  60          1HB       ASN  60 -12.255   9.011   4.172
  677   2HB   ASN  60          2HB       ASN  60 -13.760   8.871   3.269
  678   1HD2  ASN  60          1HD2      ASN  60 -15.479   9.396   4.387
  679   2HD2  ASN  60          2HD2      ASN  60 -15.692   9.201   6.090
  680    H    ILE  61           H        ILE  61 -11.560   5.059   2.733
  681    HA   ILE  61           HA       ILE  61 -10.121   6.319   0.686
  682    HB   ILE  61           HB       ILE  61 -10.937   3.422   0.935
  683   1HG1  ILE  61          1HG1      ILE  61  -8.403   4.866   1.749
  684   2HG1  ILE  61          2HG1      ILE  61  -9.634   4.249   2.845
  685   1HG2  ILE  61          1HG2      ILE  61  -8.539   4.327  -0.583
  686   2HG2  ILE  61          2HG2      ILE  61 -10.125   4.418  -1.349
  687   3HG2  ILE  61          3HG2      ILE  61  -9.511   2.868  -0.774
  688   1HD1  ILE  61          1HD1      ILE  61  -8.195   2.430   0.955
  689   2HD1  ILE  61          2HD1      ILE  61  -9.047   2.036   2.448
  690   3HD1  ILE  61          3HD1      ILE  61  -7.500   2.881   2.512
  691    H    GLN  62           H        GLN  62 -10.617   6.907  -1.324
  692    HA   GLN  62           HA       GLN  62 -13.331   6.654  -2.258
  693   1HB   GLN  62          1HB       GLN  62 -12.587   8.026  -4.149
  694   2HB   GLN  62          2HB       GLN  62 -12.099   8.738  -2.618
  695   1HG   GLN  62          1HG       GLN  62  -9.842   7.900  -2.922
  696   2HG   GLN  62          2HG       GLN  62 -10.321   7.119  -4.428
  697   1HE2  GLN  62          1HE2      GLN  62  -9.748   8.184  -6.167
  698   2HE2  GLN  62          2HE2      GLN  62  -9.593   9.899  -6.316
  699    H    LYS  63           H        LYS  63 -14.038   5.562  -4.106
  700    HA   LYS  63           HA       LYS  63 -12.923   3.062  -4.617
  701   1HB   LYS  63          1HB       LYS  63 -14.449   2.947  -6.538
  702   2HB   LYS  63          2HB       LYS  63 -15.255   3.582  -5.111
  703   1HG   LYS  63          1HG       LYS  63 -14.940   5.867  -6.003
  704   2HG   LYS  63          2HG       LYS  63 -14.254   5.162  -7.467
  705   1HD   LYS  63          1HD       LYS  63 -16.541   5.644  -7.921
  706   2HD   LYS  63          2HD       LYS  63 -16.400   3.894  -7.752
  707   1HE   LYS  63          1HE       LYS  63 -17.292   5.752  -5.551
  708   2HE   LYS  63          2HE       LYS  63 -18.391   4.880  -6.617
  709   1HZ   LYS  63          1HZ       LYS  63 -17.094   2.824  -5.799
  710   2HZ   LYS  63          2HZ       LYS  63 -18.258   3.513  -4.784
  711   3HZ   LYS  63          3HZ       LYS  63 -16.616   3.821  -4.518
  712    H    GLU  64           H        GLU  64 -11.572   2.250  -6.152
  713    HA   GLU  64           HA       GLU  64  -9.912   2.169  -7.701
  714   1HB   GLU  64          1HB       GLU  64 -11.152   4.744  -8.687
  715   2HB   GLU  64          2HB       GLU  64  -9.915   3.833  -9.541
  716   1HG   GLU  64          1HG       GLU  64 -11.440   1.929  -9.710
  717   2HG   GLU  64          2HG       GLU  64 -12.681   2.854  -8.869
  718    H    SER  65           H        SER  65  -9.348   3.195  -5.184
  719    HA   SER  65           HA       SER  65  -7.741   5.573  -5.422
  720   1HB   SER  65          1HB       SER  65  -7.183   5.161  -3.066
  721   2HB   SER  65          2HB       SER  65  -8.924   5.047  -3.328
  722    HG   SER  65           HG       SER  65  -8.866   2.984  -2.864
  723    H    THR  66           H        THR  66  -5.548   5.734  -5.519
  724    HA   THR  66           HA       THR  66  -4.107   3.388  -6.419
  725    HB   THR  66           HB       THR  66  -3.168   6.245  -6.084
  726    HG1  THR  66           HG1      THR  66  -4.850   5.525  -7.766
  727   1HG2  THR  66          1HG2      THR  66  -1.769   4.447  -7.942
  728   2HG2  THR  66          2HG2      THR  66  -1.572   4.048  -6.236
  729   3HG2  THR  66          3HG2      THR  66  -1.123   5.649  -6.825
  730    H    LEU  67           H        LEU  67  -2.737   2.197  -5.232
  731    HA   LEU  67           HA       LEU  67  -1.869   3.256  -2.622
  732   1HB   LEU  67          1HB       LEU  67  -2.582   0.383  -3.216
  733   2HB   LEU  67          2HB       LEU  67  -2.078   1.032  -1.667
  734    HG   LEU  67           HG       LEU  67  -4.665   1.612  -3.107
  735   1HD1  LEU  67          1HD1      LEU  67  -5.497   0.652  -0.838
  736   2HD1  LEU  67          2HD1      LEU  67  -3.890  -0.073  -0.771
  737   3HD1  LEU  67          3HD1      LEU  67  -4.968  -0.442  -2.117
  738   1HD2  LEU  67          1HD2      LEU  67  -3.866   2.624  -0.393
  739   2HD2  LEU  67          2HD2      LEU  67  -5.267   3.077  -1.364
  740   3HD2  LEU  67          3HD2      LEU  67  -3.650   3.570  -1.866
  741    H    HIS  68           H        HIS  68   0.266   3.042  -2.144
  742    HA   HIS  68           HA       HIS  68   1.951   1.920  -4.250
  743   1HB   HIS  68          1HB       HIS  68   2.575   3.687  -1.885
  744   2HB   HIS  68          2HB       HIS  68   3.805   3.049  -2.971
  745    HD1  HIS  68           HD1      HIS  68   3.075   3.640  -5.665
  746    HD2  HIS  68           HD2      HIS  68   1.869   6.179  -2.607
  747    HE1  HIS  68           HE1      HIS  68   2.568   5.838  -6.776
  748    HE2  HIS  68           HE2      HIS  68   1.757   7.332  -4.918
  749    H    LEU  69           H        LEU  69   3.160   0.146  -4.052
  750    HA   LEU  69           HA       LEU  69   3.059  -1.299  -1.496
  751   1HB   LEU  69          1HB       LEU  69   2.088  -2.575  -3.253
  752   2HB   LEU  69          2HB       LEU  69   3.410  -2.216  -4.342
  753    HG   LEU  69           HG       LEU  69   3.939  -3.805  -1.855
  754   1HD1  LEU  69          1HD1      LEU  69   3.056  -5.027  -4.458
  755   2HD1  LEU  69          2HD1      LEU  69   1.965  -4.774  -3.096
  756   3HD1  LEU  69          3HD1      LEU  69   3.361  -5.837  -2.922
  757   1HD2  LEU  69          1HD2      LEU  69   5.952  -3.458  -2.843
  758   2HD2  LEU  69          2HD2      LEU  69   5.253  -3.250  -4.448
  759   3HD2  LEU  69          3HD2      LEU  69   5.451  -4.868  -3.776
  760    H    VAL  70           H        VAL  70   4.912  -1.998  -0.480
  761    HA   VAL  70           HA       VAL  70   7.483  -1.411  -1.767
  762    HB   VAL  70           HB       VAL  70   6.822  -0.628   1.079
  763   1HG1  VAL  70          1HG1      VAL  70   9.121  -1.313   0.889
  764   2HG1  VAL  70          2HG1      VAL  70   9.062   0.447   1.020
  765   3HG1  VAL  70          3HG1      VAL  70   9.341  -0.316  -0.549
  766   1HG2  VAL  70          1HG2      VAL  70   5.795   1.041  -0.129
  767   2HG2  VAL  70          2HG2      VAL  70   6.938   0.924  -1.467
  768   3HG2  VAL  70          3HG2      VAL  70   7.423   1.697   0.043
  769    H    LEU  71           H        LEU  71   8.002  -3.527  -2.045
  770    HA   LEU  71           HA       LEU  71   7.606  -5.540  -0.083
  771   1HB   LEU  71          1HB       LEU  71   9.445  -5.500  -2.479
  772   2HB   LEU  71          2HB       LEU  71   9.026  -6.925  -1.545
  773    HG   LEU  71           HG       LEU  71   7.016  -5.260  -3.055
  774   1HD1  LEU  71          1HD1      LEU  71   7.944  -7.959  -3.925
  775   2HD1  LEU  71          2HD1      LEU  71   8.846  -6.518  -4.393
  776   3HD1  LEU  71          3HD1      LEU  71   7.152  -6.687  -4.856
  777   1HD2  LEU  71          1HD2      LEU  71   6.699  -7.169  -1.044
  778   2HD2  LEU  71          2HD2      LEU  71   6.329  -8.008  -2.551
  779   3HD2  LEU  71          3HD2      LEU  71   5.456  -6.536  -2.124
  780    H    ARG  72           H        ARG  72   8.832  -6.143   1.580
  781    HA   ARG  72           HA       ARG  72  10.911  -4.580   2.568
  782   1HB   ARG  72          1HB       ARG  72   9.639  -6.096   3.986
  783   2HB   ARG  72          2HB       ARG  72  10.284  -7.486   3.124
  784   1HG   ARG  72          1HG       ARG  72  12.524  -6.955   3.926
  785   2HG   ARG  72          2HG       ARG  72  11.888  -5.548   4.780
  786   1HD   ARG  72          1HD       ARG  72  10.480  -7.013   6.141
  787   2HD   ARG  72          2HD       ARG  72  11.111  -8.419   5.285
  788    HE   ARG  72           HE       ARG  72  12.307  -7.139   7.479
  789   1HH1  ARG  72          1HH1      ARG  72  13.158  -8.509   4.384
  790   2HH1  ARG  72          2HH1      ARG  72  14.775  -8.903   4.863
  791   1HH2  ARG  72          1HH2      ARG  72  14.434  -7.656   8.109
  792   2HH2  ARG  72          2HH2      ARG  72  15.499  -8.420   6.977
  793    H    LEU  73           H        LEU  73  12.850  -4.259   1.748
  794    HA   LEU  73           HA       LEU  73  14.869  -4.560   0.762
  795   1HB   LEU  73          1HB       LEU  73  15.121  -6.260   2.524
  796   2HB   LEU  73          2HB       LEU  73  14.420  -7.462   1.458
  797    HG   LEU  73           HG       LEU  73  16.324  -7.179  -0.093
  798   1HD1  LEU  73          1HD1      LEU  73  17.348  -5.185   0.066
  799   2HD1  LEU  73          2HD1      LEU  73  18.315  -5.988   1.303
  800   3HD1  LEU  73          3HD1      LEU  73  16.936  -4.992   1.770
  801   1HD2  LEU  73          1HD2      LEU  73  17.820  -8.492   1.129
  802   2HD2  LEU  73          2HD2      LEU  73  16.256  -8.813   1.879
  803   3HD2  LEU  73          3HD2      LEU  73  17.398  -7.716   2.656
  804    H    ARG  74           H        ARG  74  15.528  -4.637  -1.302
  805    HA   ARG  74           HA       ARG  74  13.762  -5.361  -3.356
  806   1HB   ARG  74          1HB       ARG  74  16.754  -4.944  -3.481
  807   2HB   ARG  74          2HB       ARG  74  15.679  -4.993  -4.871
  808   1HG   ARG  74          1HG       ARG  74  14.533  -3.007  -4.090
  809   2HG   ARG  74          2HG       ARG  74  15.538  -2.975  -2.642
  810   1HD   ARG  74          1HD       ARG  74  16.534  -2.694  -5.477
  811   2HD   ARG  74          2HD       ARG  74  16.295  -1.368  -4.343
  812    HE   ARG  74           HE       ARG  74  18.232  -1.977  -3.248
  813   1HH1  ARG  74          1HH1      ARG  74  17.415  -4.380  -5.639
  814   2HH1  ARG  74          2HH1      ARG  74  18.908  -5.242  -5.467
  815   1HH2  ARG  74          1HH2      ARG  74  20.199  -3.104  -3.022
  816   2HH2  ARG  74          2HH2      ARG  74  20.489  -4.516  -3.983
  817    H    GLY  75           H        GLY  75  13.461  -7.183  -4.512
  818   1HA   GLY  75          1HA       GLY  75  14.628  -9.628  -3.529
  819   2HA   GLY  75          2HA       GLY  75  13.432  -9.481  -4.807
  820    H    GLY  76           H        GLY  76  16.698  -8.092  -4.526
  821   1HA   GLY  76          1HA       GLY  76  17.354  -8.553  -7.218
  822   2HA   GLY  76          2HA       GLY  76  18.503  -8.200  -5.936
  Start of MODEL    7
    1   1H    TYR 255          1H        TYR 255 -26.113  -3.995   5.279
    2   2H    TYR 255          2H        TYR 255 -24.697  -3.434   6.014
    3   3H    TYR 255          3H        TYR 255 -24.908  -5.090   5.738
    4    HA   TYR 255           HA       TYR 255 -24.837  -4.766   3.369
    5   1HB   TYR 255          1HB       TYR 255 -25.887  -2.513   3.459
    6   2HB   TYR 255          2HB       TYR 255 -24.379  -1.858   4.087
    7    HD1  TYR 255           HD1      TYR 255 -25.309  -4.103   1.235
    8    HD2  TYR 255           HD2      TYR 255 -23.234  -0.619   2.524
    9    HE1  TYR 255           HE1      TYR 255 -24.524  -3.727  -1.064
   10    HE2  TYR 255           HE2      TYR 255 -22.443  -0.234   0.228
   11    HH   TYR 255           HH       TYR 255 -23.693  -1.335  -2.358
   12    HA   PRO 256           HA       PRO 256 -20.539  -5.574   4.311
   13   1HB   PRO 256          1HB       PRO 256 -19.783  -6.251   1.766
   14   2HB   PRO 256          2HB       PRO 256 -20.601  -7.354   2.878
   15   1HG   PRO 256          1HG       PRO 256 -21.739  -5.720   0.646
   16   2HG   PRO 256          2HG       PRO 256 -22.104  -7.392   1.111
   17   1HD   PRO 256          1HD       PRO 256 -23.730  -5.350   1.763
   18   2HD   PRO 256          2HD       PRO 256 -23.496  -6.741   2.840
   19    H    GLU 257           H        GLU 257 -18.823  -4.263   4.410
   20    HA   GLU 257           HA       GLU 257 -18.845  -1.696   3.242
   21   1HB   GLU 257          1HB       GLU 257 -17.699  -2.176   5.351
   22   2HB   GLU 257          2HB       GLU 257 -16.563  -3.220   4.510
   23   1HG   GLU 257          1HG       GLU 257 -15.521  -1.112   4.967
   24   2HG   GLU 257          2HG       GLU 257 -15.763  -1.277   3.229
   25    H    ASP 258           H        ASP 258 -18.030  -0.925   1.385
   26    HA   ASP 258           HA       ASP 258 -17.165  -2.742  -0.632
   27   1HB   ASP 258          1HB       ASP 258 -16.898  -0.704  -2.028
   28   2HB   ASP 258          2HB       ASP 258 -18.474  -0.800  -1.250
   29    H    GLU 259           H        GLU 259 -15.542  -0.386   1.427
   30    HA   GLU 259           HA       GLU 259 -13.039  -0.377   0.187
   31   1HB   GLU 259          1HB       GLU 259 -13.696   1.241   1.904
   32   2HB   GLU 259          2HB       GLU 259 -13.712  -0.036   3.113
   33   1HG   GLU 259          1HG       GLU 259 -11.308  -0.380   2.747
   34   2HG   GLU 259          2HG       GLU 259 -11.314   0.955   1.597
   35    H    GLU 260           H        GLU 260 -14.297  -2.429   2.793
   36    HA   GLU 260           HA       GLU 260 -11.975  -3.871   3.333
   37   1HB   GLU 260          1HB       GLU 260 -14.853  -4.783   3.495
   38   2HB   GLU 260          2HB       GLU 260 -13.490  -5.614   4.233
   39   1HG   GLU 260          1HG       GLU 260 -13.050  -3.657   5.626
   40   2HG   GLU 260          2HG       GLU 260 -14.417  -2.826   4.887
   41    H    GLU 261           H        GLU 261 -14.382  -4.284   0.812
   42    HA   GLU 261           HA       GLU 261 -13.696  -6.845  -0.060
   43   1HB   GLU 261          1HB       GLU 261 -15.710  -5.664  -0.802
   44   2HB   GLU 261          2HB       GLU 261 -14.719  -4.510  -1.683
   45   1HG   GLU 261          1HG       GLU 261 -15.637  -6.096  -3.222
   46   2HG   GLU 261          2HG       GLU 261 -13.896  -6.350  -3.105
   47    H    LEU 262           H        LEU 262 -12.548  -3.700  -1.321
   48    HA   LEU 262           HA       LEU 262 -10.715  -4.826  -3.146
   49   1HB   LEU 262          1HB       LEU 262 -10.851  -2.097  -1.880
   50   2HB   LEU 262          2HB       LEU 262  -9.634  -2.530  -3.063
   51    HG   LEU 262           HG       LEU 262 -11.345  -1.334  -4.199
   52   1HD1  LEU 262          1HD1      LEU 262 -11.810  -2.774  -5.946
   53   2HD1  LEU 262          2HD1      LEU 262 -12.034  -4.161  -4.881
   54   3HD1  LEU 262          3HD1      LEU 262 -10.414  -3.530  -5.180
   55   1HD2  LEU 262          1HD2      LEU 262 -13.411  -3.315  -3.290
   56   2HD2  LEU 262          2HD2      LEU 262 -13.650  -1.758  -4.083
   57   3HD2  LEU 262          3HD2      LEU 262 -13.088  -1.819  -2.413
   58    H    ILE 263           H        ILE 263 -10.339  -3.676   0.177
   59    HA   ILE 263           HA       ILE 263  -7.576  -3.874   0.398
   60    HB   ILE 263           HB       ILE 263  -9.788  -4.116   2.396
   61   1HG1  ILE 263          1HG1      ILE 263  -7.569  -2.107   2.009
   62   2HG1  ILE 263          2HG1      ILE 263  -9.246  -1.905   1.513
   63   1HG2  ILE 263          1HG2      ILE 263  -8.100  -4.140   4.204
   64   2HG2  ILE 263          2HG2      ILE 263  -6.846  -4.400   2.992
   65   3HG2  ILE 263          3HG2      ILE 263  -8.096  -5.619   3.242
   66   1HD1  ILE 263          1HD1      ILE 263  -9.991  -1.678   3.702
   67   2HD1  ILE 263          2HD1      ILE 263  -8.473  -0.780   3.672
   68   3HD1  ILE 263          3HD1      ILE 263  -8.528  -2.396   4.375
   69    H    ARG 264           H        ARG 264 -10.018  -6.368   1.216
   70    HA   ARG 264           HA       ARG 264  -8.117  -8.326   1.913
   71   1HB   ARG 264          1HB       ARG 264  -9.938  -9.946   1.729
   72   2HB   ARG 264          2HB       ARG 264 -10.406  -8.525   2.651
   73   1HG   ARG 264          1HG       ARG 264 -11.600  -7.651   0.708
   74   2HG   ARG 264          2HG       ARG 264 -11.120  -9.071  -0.225
   75   1HD   ARG 264          1HD       ARG 264 -13.399  -9.303   0.610
   76   2HD   ARG 264          2HD       ARG 264 -12.334 -10.509   1.330
   77    HE   ARG 264           HE       ARG 264 -12.452  -8.268   3.018
   78   1HH1  ARG 264          1HH1      ARG 264 -14.455 -10.894   1.901
   79   2HH1  ARG 264          2HH1      ARG 264 -15.426 -10.932   3.335
   80   1HH2  ARG 264          1HH2      ARG 264 -13.728  -8.313   4.909
   81   2HH2  ARG 264          2HH2      ARG 264 -15.017  -9.463   5.041
   82    H    LYS 265           H        LYS 265  -9.726  -7.620  -1.180
   83    HA   LYS 265           HA       LYS 265  -8.837  -9.851  -2.604
   84   1HB   LYS 265          1HB       LYS 265  -9.250  -7.005  -3.540
   85   2HB   LYS 265          2HB       LYS 265  -8.929  -8.349  -4.626
   86   1HG   LYS 265          1HG       LYS 265 -10.976  -9.456  -3.829
   87   2HG   LYS 265          2HG       LYS 265 -11.307  -8.060  -2.803
   88   1HD   LYS 265          1HD       LYS 265 -12.597  -7.917  -4.852
   89   2HD   LYS 265          2HD       LYS 265 -11.391  -6.630  -4.803
   90   1HE   LYS 265          1HE       LYS 265 -11.515  -7.646  -7.019
   91   2HE   LYS 265          2HE       LYS 265  -9.940  -7.922  -6.277
   92   1HZ   LYS 265          1HZ       LYS 265 -10.832 -10.142  -5.575
   93   2HZ   LYS 265          2HZ       LYS 265 -10.609  -9.951  -7.241
   94   3HZ   LYS 265          3HZ       LYS 265 -12.163  -9.857  -6.581
   95    H    ALA 266           H        ALA 266  -7.285  -6.807  -1.825
   96    HA   ALA 266           HA       ALA 266  -4.883  -7.255  -3.268
   97   1HB   ALA 266          1HB       ALA 266  -5.849  -5.329  -1.245
   98   2HB   ALA 266          2HB       ALA 266  -4.979  -5.049  -2.754
   99   3HB   ALA 266          3HB       ALA 266  -4.103  -5.571  -1.316
  100    H    ILE 267           H        ILE 267  -6.051  -8.063  -0.062
  101    HA   ILE 267           HA       ILE 267  -3.657  -8.830   1.143
  102    HB   ILE 267           HB       ILE 267  -6.425  -9.944   1.575
  103   1HG1  ILE 267          1HG1      ILE 267  -6.233  -7.542   2.030
  104   2HG1  ILE 267          2HG1      ILE 267  -6.461  -8.445   3.522
  105   1HG2  ILE 267          1HG2      ILE 267  -4.393 -11.350   2.331
  106   2HG2  ILE 267          2HG2      ILE 267  -5.696 -11.048   3.480
  107   3HG2  ILE 267          3HG2      ILE 267  -4.203 -10.113   3.573
  108   1HD1  ILE 267          1HD1      ILE 267  -4.079  -6.966   2.541
  109   2HD1  ILE 267          2HD1      ILE 267  -3.843  -8.356   3.601
  110   3HD1  ILE 267          3HD1      ILE 267  -4.818  -6.990   4.142
  111    H    GLU 268           H        GLU 268  -6.012 -10.790  -0.652
  112    HA   GLU 268           HA       GLU 268  -4.597 -13.216  -0.497
  113   1HB   GLU 268          1HB       GLU 268  -6.576 -12.292  -2.582
  114   2HB   GLU 268          2HB       GLU 268  -6.054 -13.953  -2.343
  115   1HG   GLU 268          1HG       GLU 268  -7.014 -13.931  -0.096
  116   2HG   GLU 268          2HG       GLU 268  -7.544 -12.267  -0.343
  117    H    LEU 269           H        LEU 269  -4.682 -10.709  -3.015
  118    HA   LEU 269           HA       LEU 269  -3.037 -11.988  -4.876
  119   1HB   LEU 269          1HB       LEU 269  -3.367  -9.040  -4.316
  120   2HB   LEU 269          2HB       LEU 269  -2.558  -9.695  -5.726
  121    HG   LEU 269           HG       LEU 269  -5.473 -10.097  -5.039
  122   1HD1  LEU 269          1HD1      LEU 269  -4.325  -8.511  -7.319
  123   2HD1  LEU 269          2HD1      LEU 269  -4.741  -7.783  -5.767
  124   3HD1  LEU 269          3HD1      LEU 269  -5.991  -8.555  -6.743
  125   1HD2  LEU 269          1HD2      LEU 269  -5.538 -11.701  -6.574
  126   2HD2  LEU 269          2HD2      LEU 269  -3.778 -11.638  -6.661
  127   3HD2  LEU 269          3HD2      LEU 269  -4.751 -10.659  -7.758
  128    H    SER 270           H        SER 270  -2.201  -9.849  -2.178
  129    HA   SER 270           HA       SER 270   0.556  -9.691  -2.684
  130   1HB   SER 270          1HB       SER 270  -0.901  -9.512  -0.037
  131   2HB   SER 270          2HB       SER 270   0.756  -8.986  -0.330
  132    HG   SER 270           HG       SER 270   0.045  -7.301  -1.455
  133    H    LEU 271           H        LEU 271  -1.308 -11.913  -0.634
  134    HA   LEU 271           HA       LEU 271   0.837 -13.328   0.453
  135   1HB   LEU 271          1HB       LEU 271  -1.932 -14.327  -0.218
  136   2HB   LEU 271          2HB       LEU 271  -0.791 -15.149   0.829
  137    HG   LEU 271           HG       LEU 271  -2.029 -12.447   1.359
  138   1HD1  LEU 271          1HD1      LEU 271  -2.869 -13.969   3.373
  139   2HD1  LEU 271          2HD1      LEU 271  -2.734 -15.215   2.132
  140   3HD1  LEU 271          3HD1      LEU 271  -3.767 -13.812   1.863
  141   1HD2  LEU 271          1HD2      LEU 271   0.296 -13.755   2.453
  142   2HD2  LEU 271          2HD2      LEU 271  -0.930 -13.499   3.694
  143   3HD2  LEU 271          3HD2      LEU 271  -0.329 -12.133   2.754
  144    H    LYS 272           H        LYS 272  -1.002 -13.930  -2.522
  145    HA   LYS 272           HA       LYS 272   0.308 -16.314  -3.239
  146   1HB   LYS 272          1HB       LYS 272  -1.812 -15.655  -4.239
  147   2HB   LYS 272          2HB       LYS 272  -1.051 -14.256  -4.985
  148   1HG   LYS 272          1HG       LYS 272  -1.392 -16.048  -6.594
  149   2HG   LYS 272          2HG       LYS 272   0.326 -15.717  -6.360
  150   1HD   LYS 272          1HD       LYS 272   0.493 -17.638  -4.853
  151   2HD   LYS 272          2HD       LYS 272  -1.228 -17.964  -5.073
  152   1HE   LYS 272          1HE       LYS 272  -0.851 -18.336  -7.461
  153   2HE   LYS 272          2HE       LYS 272   0.867 -18.003  -7.244
  154   1HZ   LYS 272          1HZ       LYS 272   0.115 -20.424  -7.288
  155   2HZ   LYS 272          2HZ       LYS 272  -0.478 -20.152  -5.728
  156   3HZ   LYS 272          3HZ       LYS 272   1.171 -19.959  -6.050
  157    H    GLU 273           H        GLU 273   0.959 -12.933  -4.102
  158    HA   GLU 273           HA       GLU 273   3.022 -13.382  -5.926
  159   1HB   GLU 273          1HB       GLU 273   2.619 -11.063  -4.028
  160   2HB   GLU 273          2HB       GLU 273   3.761 -11.069  -5.365
  161   1HG   GLU 273          1HG       GLU 273   1.932 -11.322  -6.947
  162   2HG   GLU 273          2HG       GLU 273   0.776 -11.360  -5.617
  163    H    SER 274           H        SER 274   3.125 -13.010  -2.405
  164    HA   SER 274           HA       SER 274   5.934 -13.099  -2.154
  165   1HB   SER 274          1HB       SER 274   3.786 -13.863  -0.160
  166   2HB   SER 274          2HB       SER 274   5.491 -13.637   0.228
  167    HG   SER 274           HG       SER 274   3.620 -11.709  -0.654
  168    H    ARG 275           H        ARG 275   7.331 -14.726  -2.242
  169    HA   ARG 275           HA       ARG 275   6.412 -17.360  -2.919
  170   1HB   ARG 275          1HB       ARG 275   8.813 -17.899  -3.103
  171   2HB   ARG 275          2HB       ARG 275   8.384 -16.456  -4.011
  172   1HG   ARG 275          1HG       ARG 275   9.255 -15.070  -2.174
  173   2HG   ARG 275          2HG       ARG 275   9.739 -16.538  -1.324
  174   1HD   ARG 275          1HD       ARG 275  10.726 -15.643  -4.030
  175   2HD   ARG 275          2HD       ARG 275  11.622 -15.539  -2.516
  176    HE   ARG 275           HE       ARG 275  10.867 -18.202  -2.903
  177   1HH1  ARG 275          1HH1      ARG 275  12.951 -15.807  -4.342
  178   2HH1  ARG 275          2HH1      ARG 275  14.085 -16.969  -4.943
  179   1HH2  ARG 275          1HH2      ARG 275  12.358 -19.738  -3.691
  180   2HH2  ARG 275          2HH2      ARG 275  13.748 -19.202  -4.574
  181    H    ASN 276           H        ASN 276   7.954 -15.843  -0.126
  182    HA   ASN 276           HA       ASN 276   8.570 -18.104   1.359
  183   1HB   ASN 276          1HB       ASN 276   7.637 -15.407   2.366
  184   2HB   ASN 276          2HB       ASN 276   8.424 -16.638   3.348
  185   1HD2  ASN 276          1HD2      ASN 276  10.484 -16.282   3.677
  186   2HD2  ASN 276          2HD2      ASN 276  11.572 -15.487   2.596
  187    H    SER 277           H        SER 277   5.553 -16.232   1.319
  188    HA   SER 277           HA       SER 277   3.401 -16.830   1.747
  189   1HB   SER 277          1HB       SER 277   4.513 -19.623   2.095
  190   2HB   SER 277          2HB       SER 277   2.800 -19.212   2.035
  191    HG   SER 277           HG       SER 277   3.807 -18.113  -0.084
  192    H    ALA 278           H        ALA 278   5.769 -18.276   3.965
  193    HA   ALA 278           HA       ALA 278   5.880 -18.382   6.230
  194   1HB   ALA 278          1HB       ALA 278   5.058 -16.470   7.481
  195   2HB   ALA 278          2HB       ALA 278   4.082 -15.963   6.103
  196   3HB   ALA 278          3HB       ALA 278   5.842 -15.941   5.993
  197   1H    MET   1          1H        MET   1  15.811   3.372  -2.632
  198   2H    MET   1          2H        MET   1  15.064   2.311  -1.548
  199   3H    MET   1          3H        MET   1  14.182   3.582  -2.230
  200    HA   MET   1           HA       MET   1  15.272   2.096  -4.321
  201   1HB   MET   1          1HB       MET   1  14.214  -0.091  -3.872
  202   2HB   MET   1          2HB       MET   1  15.500   0.273  -2.730
  203   1HG   MET   1          1HG       MET   1  13.854   0.919  -1.060
  204   2HG   MET   1          2HG       MET   1  12.554   0.593  -2.206
  205   1HE   MET   1          1HE       MET   1  12.288  -0.345   0.362
  206   2HE   MET   1          2HE       MET   1  12.592  -2.043   0.730
  207   3HE   MET   1          3HE       MET   1  11.340  -1.604  -0.432
  208    H    GLN   2           H        GLN   2  13.820   2.072  -5.964
  209    HA   GLN   2           HA       GLN   2  11.444   3.621  -5.679
  210   1HB   GLN   2          1HB       GLN   2  12.414   1.968  -8.017
  211   2HB   GLN   2          2HB       GLN   2  11.106   3.140  -8.073
  212   1HG   GLN   2          1HG       GLN   2  12.677   4.922  -7.508
  213   2HG   GLN   2          2HG       GLN   2  13.988   3.745  -7.456
  214   1HE2  GLN   2          1HE2      GLN   2  12.667   6.063  -9.291
  215   2HE2  GLN   2          2HE2      GLN   2  13.119   5.512 -10.865
  216    H    ILE   3           H        ILE   3   9.302   2.999  -5.895
  217    HA   ILE   3           HA       ILE   3   8.648   0.163  -6.042
  218    HB   ILE   3           HB       ILE   3   7.201   0.228  -4.066
  219   1HG1  ILE   3          1HG1      ILE   3   8.473   2.902  -3.452
  220   2HG1  ILE   3          2HG1      ILE   3   6.850   2.709  -4.106
  221   1HG2  ILE   3          1HG2      ILE   3   9.094   0.483  -2.329
  222   2HG2  ILE   3          2HG2      ILE   3  10.125   0.772  -3.730
  223   3HG2  ILE   3          3HG2      ILE   3   9.247  -0.750  -3.581
  224   1HD1  ILE   3          1HD1      ILE   3   6.156   1.527  -2.119
  225   2HD1  ILE   3          2HD1      ILE   3   6.858   3.086  -1.687
  226   3HD1  ILE   3          3HD1      ILE   3   7.795   1.607  -1.471
  227    H    PHE   4           H        PHE   4   6.605  -0.229  -6.869
  228    HA   PHE   4           HA       PHE   4   5.246   2.139  -7.920
  229   1HB   PHE   4          1HB       PHE   4   5.207  -0.761  -8.701
  230   2HB   PHE   4          2HB       PHE   4   3.963   0.351  -9.264
  231    HD1  PHE   4           HD1      PHE   4   4.354   1.813 -11.034
  232    HD2  PHE   4           HD2      PHE   4   7.607  -0.297  -9.285
  233    HE1  PHE   4           HE1      PHE   4   5.804   2.543 -12.876
  234    HE2  PHE   4           HE2      PHE   4   9.070   0.425 -11.128
  235    HZ   PHE   4           HZ       PHE   4   8.168   1.846 -12.928
  236    H    VAL   5           H        VAL   5   3.327   2.804  -7.259
  237    HA   VAL   5           HA       VAL   5   1.902   1.186  -5.268
  238    HB   VAL   5           HB       VAL   5   1.513   4.101  -5.981
  239   1HG1  VAL   5          1HG1      VAL   5   0.279   2.318  -3.904
  240   2HG1  VAL   5          2HG1      VAL   5  -0.522   3.335  -5.102
  241   3HG1  VAL   5          3HG1      VAL   5   0.308   4.073  -3.732
  242   1HG2  VAL   5          1HG2      VAL   5   3.043   4.690  -4.451
  243   2HG2  VAL   5          2HG2      VAL   5   3.648   3.045  -4.651
  244   3HG2  VAL   5          3HG2      VAL   5   2.546   3.424  -3.327
  245    H    LYS   6           H        LYS   6   0.098   0.142  -5.866
  246    HA   LYS   6           HA       LYS   6  -1.289   1.070  -8.293
  247   1HB   LYS   6          1HB       LYS   6  -0.091  -1.062  -8.636
  248   2HB   LYS   6          2HB       LYS   6  -1.011  -1.777  -7.318
  249   1HG   LYS   6          1HG       LYS   6  -3.091  -1.305  -8.614
  250   2HG   LYS   6          2HG       LYS   6  -2.068  -0.805  -9.962
  251   1HD   LYS   6          1HD       LYS   6  -1.019  -3.039  -9.957
  252   2HD   LYS   6          2HD       LYS   6  -2.112  -3.527  -8.659
  253   1HE   LYS   6          1HE       LYS   6  -4.027  -3.026 -10.153
  254   2HE   LYS   6          2HE       LYS   6  -2.883  -2.681 -11.449
  255   1HZ   LYS   6          1HZ       LYS   6  -2.546  -5.244 -10.136
  256   2HZ   LYS   6          2HZ       LYS   6  -2.470  -4.850 -11.779
  257   3HZ   LYS   6          3HZ       LYS   6  -3.971  -5.075 -11.032
  258    H    THR   7           H        THR   7  -3.347   1.578  -8.090
  259    HA   THR   7           HA       THR   7  -4.698   1.126  -5.556
  260    HB   THR   7           HB       THR   7  -6.466   2.590  -6.497
  261    HG1  THR   7           HG1      THR   7  -5.286   1.974  -8.794
  262   1HG2  THR   7          1HG2      THR   7  -5.237   4.171  -5.519
  263   2HG2  THR   7          2HG2      THR   7  -4.445   4.447  -7.070
  264   3HG2  THR   7          3HG2      THR   7  -3.744   3.317  -5.910
  265    H    LEU   8           H        LEU   8  -6.749   0.121  -5.380
  266    HA   LEU   8           HA       LEU   8  -7.080  -2.145  -7.100
  267   1HB   LEU   8          1HB       LEU   8  -8.631  -1.108  -4.742
  268   2HB   LEU   8          2HB       LEU   8  -9.167  -2.498  -5.663
  269    HG   LEU   8           HG       LEU   8  -8.011  -3.237  -3.684
  270   1HD1  LEU   8          1HD1      LEU   8  -6.264  -4.635  -4.697
  271   2HD1  LEU   8          2HD1      LEU   8  -6.359  -3.662  -6.165
  272   3HD1  LEU   8          3HD1      LEU   8  -7.750  -4.616  -5.647
  273   1HD2  LEU   8          1HD2      LEU   8  -5.494  -1.923  -4.646
  274   2HD2  LEU   8          2HD2      LEU   8  -5.845  -2.624  -3.065
  275   3HD2  LEU   8          3HD2      LEU   8  -6.609  -1.110  -3.547
  276    H    THR   9           H        THR   9  -7.307  -0.176  -8.833
  277    HA   THR   9           HA       THR   9 -10.056  -0.383  -9.702
  278    HB   THR   9           HB       THR   9 -10.242   1.648  -8.431
  279    HG1  THR   9           HG1      THR   9  -9.946   2.637 -11.051
  280   1HG2  THR   9          1HG2      THR   9  -8.158   3.022 -10.073
  281   2HG2  THR   9          2HG2      THR   9  -7.673   2.080  -8.664
  282   3HG2  THR   9          3HG2      THR   9  -8.784   3.437  -8.477
  283    H    GLY  10           H        GLY  10  -6.854   1.053 -10.373
  284   1HA   GLY  10          1HA       GLY  10  -6.153  -0.205 -12.614
  285   2HA   GLY  10          2HA       GLY  10  -7.373   0.892 -13.237
  286    H    LYS  11           H        LYS  11  -4.568   1.113 -11.012
  287    HA   LYS  11           HA       LYS  11  -3.290   3.023 -12.738
  288   1HB   LYS  11          1HB       LYS  11  -4.976   4.404 -11.554
  289   2HB   LYS  11          2HB       LYS  11  -4.239   3.951 -10.026
  290   1HG   LYS  11          1HG       LYS  11  -2.155   5.024 -10.702
  291   2HG   LYS  11          2HG       LYS  11  -2.886   5.471 -12.244
  292   1HD   LYS  11          1HD       LYS  11  -4.544   6.822 -11.084
  293   2HD   LYS  11          2HD       LYS  11  -3.852   6.356  -9.529
  294   1HE   LYS  11          1HE       LYS  11  -3.083   8.569 -10.184
  295   2HE   LYS  11          2HE       LYS  11  -1.740   7.427 -10.154
  296   1HZ   LYS  11          1HZ       LYS  11  -1.523   7.480 -12.409
  297   2HZ   LYS  11          2HZ       LYS  11  -2.088   9.054 -12.156
  298   3HZ   LYS  11          3HZ       LYS  11  -3.150   7.850 -12.688
  299    H    THR  12           H        THR  12  -1.141   3.235 -12.350
  300    HA   THR  12           HA       THR  12   0.030   2.268  -9.869
  301    HB   THR  12           HB       THR  12   0.794   1.046 -12.532
  302    HG1  THR  12           HG1      THR  12  -0.962  -0.079 -11.940
  303   1HG2  THR  12          1HG2      THR  12   2.270   1.357 -10.135
  304   2HG2  THR  12          2HG2      THR  12   2.708   0.432 -11.572
  305   3HG2  THR  12          3HG2      THR  12   1.821  -0.344 -10.260
  306    H    ILE  13           H        ILE  13   1.745   3.518  -9.332
  307    HA   ILE  13           HA       ILE  13   3.186   4.924 -11.475
  308    HB   ILE  13           HB       ILE  13   2.090   6.256  -9.001
  309   1HG1  ILE  13          1HG1      ILE  13   0.406   5.849 -10.767
  310   2HG1  ILE  13          2HG1      ILE  13   0.724   7.562 -10.532
  311   1HG2  ILE  13          1HG2      ILE  13   4.249   6.959 -10.820
  312   2HG2  ILE  13          2HG2      ILE  13   3.845   7.611  -9.230
  313   3HG2  ILE  13          3HG2      ILE  13   3.030   8.227 -10.669
  314   1HD1  ILE  13          1HD1      ILE  13   1.628   7.814 -12.591
  315   2HD1  ILE  13          2HD1      ILE  13   0.572   6.443 -12.930
  316   3HD1  ILE  13          3HD1      ILE  13   2.288   6.179 -12.624
  317    H    THR  14           H        THR  14   5.308   5.398 -11.092
  318    HA   THR  14           HA       THR  14   6.726   3.839  -9.192
  319    HB   THR  14           HB       THR  14   7.769   6.229 -10.727
  320    HG1  THR  14           HG1      THR  14   8.459   4.481 -12.215
  321   1HG2  THR  14          1HG2      THR  14   9.928   5.263 -10.454
  322   2HG2  THR  14          2HG2      THR  14   9.250   3.775  -9.794
  323   3HG2  THR  14          3HG2      THR  14   9.169   5.270  -8.862
  324    H    LEU  15           H        LEU  15   7.836   4.489  -7.316
  325    HA   LEU  15           HA       LEU  15   7.716   7.232  -6.436
  326   1HB   LEU  15          1HB       LEU  15   5.467   6.090  -5.882
  327   2HB   LEU  15          2HB       LEU  15   6.372   5.203  -4.672
  328    HG   LEU  15           HG       LEU  15   5.192   7.122  -3.707
  329   1HD1  LEU  15          1HD1      LEU  15   7.947   8.089  -3.465
  330   2HD1  LEU  15          2HD1      LEU  15   7.736   6.363  -3.169
  331   3HD1  LEU  15          3HD1      LEU  15   6.818   7.538  -2.227
  332   1HD2  LEU  15          1HD2      LEU  15   6.062   8.435  -6.033
  333   2HD2  LEU  15          2HD2      LEU  15   6.851   9.241  -4.677
  334   3HD2  LEU  15          3HD2      LEU  15   5.094   9.092  -4.713
  335    H    GLU  16           H        GLU  16   9.654   7.579  -5.643
  336    HA   GLU  16           HA       GLU  16  11.389   5.473  -4.799
  337   1HB   GLU  16          1HB       GLU  16  12.239   7.474  -5.932
  338   2HB   GLU  16          2HB       GLU  16  11.692   8.476  -4.596
  339   1HG   GLU  16          1HG       GLU  16  14.058   8.136  -4.423
  340   2HG   GLU  16          2HG       GLU  16  13.250   7.289  -3.104
  341    H    VAL  17           H        VAL  17  11.828   4.743  -2.790
  342    HA   VAL  17           HA       VAL  17  10.983   6.324  -0.479
  343    HB   VAL  17           HB       VAL  17   9.923   4.369   0.594
  344   1HG1  VAL  17          1HG1      VAL  17   7.835   4.614  -0.437
  345   2HG1  VAL  17          2HG1      VAL  17   8.552   4.875  -2.027
  346   3HG1  VAL  17          3HG1      VAL  17   8.680   6.122  -0.787
  347   1HG2  VAL  17          1HG2      VAL  17   9.543   2.933  -1.941
  348   2HG2  VAL  17          2HG2      VAL  17   9.816   2.312  -0.312
  349   3HG2  VAL  17          3HG2      VAL  17  11.178   2.870  -1.283
  350    H    GLU  18           H        GLU  18  12.402   6.263   1.134
  351    HA   GLU  18           HA       GLU  18  14.722   4.530   0.884
  352   1HB   GLU  18          1HB       GLU  18  14.131   6.750   2.849
  353   2HB   GLU  18          2HB       GLU  18  15.664   5.903   2.699
  354   1HG   GLU  18          1HG       GLU  18  14.385   7.578   0.550
  355   2HG   GLU  18          2HG       GLU  18  15.684   8.103   1.619
  356    H    SER  19           H        SER  19  15.277   2.919   2.273
  357    HA   SER  19           HA       SER  19  13.305   1.546   3.676
  358   1HB   SER  19          1HB       SER  19  15.156   0.219   4.635
  359   2HB   SER  19          2HB       SER  19  15.363   0.470   2.902
  360    HG   SER  19           HG       SER  19  17.302   0.856   4.028
  361    H    SER  20           H        SER  20  15.702   3.874   4.816
  362    HA   SER  20           HA       SER  20  15.248   3.582   7.570
  363   1HB   SER  20          1HB       SER  20  16.157   6.029   6.036
  364   2HB   SER  20          2HB       SER  20  16.300   5.806   7.780
  365    HG   SER  20           HG       SER  20  18.227   5.267   6.621
  366    H    ASP  21           H        ASP  21  13.798   5.812   5.209
  367    HA   ASP  21           HA       ASP  21  12.194   7.235   7.017
  368   1HB   ASP  21          1HB       ASP  21  11.771   6.677   4.075
  369   2HB   ASP  21          2HB       ASP  21  10.847   7.849   5.010
  370    H    THR  22           H        THR  22  10.275   6.857   7.945
  371    HA   THR  22           HA       THR  22   9.242   4.215   8.024
  372    HB   THR  22           HB       THR  22   7.438   5.168   9.420
  373    HG1  THR  22           HG1      THR  22   8.214   7.448   8.182
  374   1HG2  THR  22          1HG2      THR  22  10.252   6.060  10.040
  375   2HG2  THR  22          2HG2      THR  22   9.460   4.570  10.553
  376   3HG2  THR  22          3HG2      THR  22   8.928   6.121  11.203
  377    H    ILE  23           H        ILE  23   6.579   4.278   7.996
  378    HA   ILE  23           HA       ILE  23   5.953   4.277   5.216
  379    HB   ILE  23           HB       ILE  23   4.136   3.927   7.602
  380   1HG1  ILE  23          1HG1      ILE  23   5.928   2.238   7.453
  381   2HG1  ILE  23          2HG1      ILE  23   4.343   1.533   7.155
  382   1HG2  ILE  23          1HG2      ILE  23   3.593   4.102   4.759
  383   2HG2  ILE  23          2HG2      ILE  23   2.479   4.115   6.126
  384   3HG2  ILE  23          3HG2      ILE  23   3.034   2.581   5.455
  385   1HD1  ILE  23          1HD1      ILE  23   5.864   0.588   5.605
  386   2HD1  ILE  23          2HD1      ILE  23   6.472   2.176   5.137
  387   3HD1  ILE  23          3HD1      ILE  23   4.828   1.700   4.711
  388    H    ASP  24           H        ASP  24   4.973   6.324   7.952
  389    HA   ASP  24           HA       ASP  24   3.071   7.883   6.686
  390   1HB   ASP  24          1HB       ASP  24   3.641   9.649   8.342
  391   2HB   ASP  24          2HB       ASP  24   3.424   8.060   9.066
  392    H    ASN  25           H        ASN  25   6.590   8.230   6.655
  393    HA   ASN  25           HA       ASN  25   6.736  10.691   5.321
  394   1HB   ASN  25          1HB       ASN  25   8.684   9.580   6.374
  395   2HB   ASN  25          2HB       ASN  25   8.645   8.346   5.119
  396   1HD2  ASN  25          1HD2      ASN  25  10.160  11.065   6.071
  397   2HD2  ASN  25          2HD2      ASN  25  10.739  11.640   4.548
  398    H    VAL  26           H        VAL  26   6.485   7.380   4.132
  399    HA   VAL  26           HA       VAL  26   6.730   7.920   1.388
  400    HB   VAL  26           HB       VAL  26   5.127   5.718   2.707
  401   1HG1  VAL  26          1HG1      VAL  26   6.098   6.128  -0.106
  402   2HG1  VAL  26          2HG1      VAL  26   4.459   5.796   0.456
  403   3HG1  VAL  26          3HG1      VAL  26   5.688   4.533   0.525
  404   1HG2  VAL  26          1HG2      VAL  26   7.398   4.534   1.856
  405   2HG2  VAL  26          2HG2      VAL  26   7.164   5.150   3.492
  406   3HG2  VAL  26          3HG2      VAL  26   8.015   6.127   2.295
  407    H    LYS  27           H        LYS  27   3.953   7.918   3.566
  408    HA   LYS  27           HA       LYS  27   1.943   8.242   1.632
  409   1HB   LYS  27          1HB       LYS  27   2.044   9.103   4.525
  410   2HB   LYS  27          2HB       LYS  27   0.598   9.191   3.529
  411   1HG   LYS  27          1HG       LYS  27   2.113   6.670   4.173
  412   2HG   LYS  27          2HG       LYS  27   0.629   7.206   4.963
  413   1HD   LYS  27          1HD       LYS  27  -0.543   7.109   2.808
  414   2HD   LYS  27          2HD       LYS  27   0.941   6.554   2.030
  415   1HE   LYS  27          1HE       LYS  27  -0.552   4.686   2.506
  416   2HE   LYS  27          2HE       LYS  27   0.939   4.560   3.439
  417   1HZ   LYS  27          1HZ       LYS  27  -1.655   5.580   4.468
  418   2HZ   LYS  27          2HZ       LYS  27  -0.227   5.430   5.362
  419   3HZ   LYS  27          3HZ       LYS  27  -1.009   4.047   4.780
  420    H    SER  28           H        SER  28   3.908  10.601   3.388
  421    HA   SER  28           HA       SER  28   2.582  12.903   2.425
  422   1HB   SER  28          1HB       SER  28   4.069  13.004   4.363
  423   2HB   SER  28          2HB       SER  28   5.447  12.569   3.352
  424    HG   SER  28           HG       SER  28   4.341  14.990   3.772
  425    H    LYS  29           H        LYS  29   5.316  11.025   1.202
  426    HA   LYS  29           HA       LYS  29   5.955  12.782  -0.933
  427   1HB   LYS  29          1HB       LYS  29   6.491   9.818  -0.651
  428   2HB   LYS  29          2HB       LYS  29   7.250  10.884  -1.825
  429   1HG   LYS  29          1HG       LYS  29   8.277  12.161  -0.024
  430   2HG   LYS  29          2HG       LYS  29   7.496  11.123   1.167
  431   1HD   LYS  29          1HD       LYS  29   9.506  10.233  -0.903
  432   2HD   LYS  29          2HD       LYS  29   9.833  10.490   0.811
  433   1HE   LYS  29          1HE       LYS  29   8.144   8.749   1.337
  434   2HE   LYS  29          2HE       LYS  29   7.983   8.440  -0.391
  435   1HZ   LYS  29          1HZ       LYS  29  10.566   8.237   1.049
  436   2HZ   LYS  29          2HZ       LYS  29  10.202   7.684  -0.507
  437   3HZ   LYS  29          3HZ       LYS  29   9.522   6.922   0.840
  438    H    ILE  30           H        ILE  30   3.941   9.880  -0.708
  439    HA   ILE  30           HA       ILE  30   3.264   9.748  -3.449
  440    HB   ILE  30           HB       ILE  30   1.824   8.656  -1.023
  441   1HG1  ILE  30          1HG1      ILE  30   3.617   7.329  -3.074
  442   2HG1  ILE  30          2HG1      ILE  30   4.076   7.735  -1.423
  443   1HG2  ILE  30          1HG2      ILE  30   0.587   7.234  -2.585
  444   2HG2  ILE  30          2HG2      ILE  30   1.342   8.067  -3.944
  445   3HG2  ILE  30          3HG2      ILE  30   0.256   8.943  -2.866
  446   1HD1  ILE  30          1HD1      ILE  30   2.805   5.389  -2.407
  447   2HD1  ILE  30          2HD1      ILE  30   1.726   6.191  -1.265
  448   3HD1  ILE  30          3HD1      ILE  30   3.361   5.750  -0.772
  449    H    GLN  31           H        GLN  31   1.623  11.197  -0.654
  450    HA   GLN  31           HA       GLN  31  -0.687  12.026  -2.006
  451   1HB   GLN  31          1HB       GLN  31  -1.138  13.391  -0.100
  452   2HB   GLN  31          2HB       GLN  31  -0.399  11.908   0.478
  453   1HG   GLN  31          1HG       GLN  31   1.724  13.041   0.736
  454   2HG   GLN  31          2HG       GLN  31   1.025  14.522   0.086
  455   1HE2  GLN  31          1HE2      GLN  31   0.529  15.956   1.568
  456   2HE2  GLN  31          2HE2      GLN  31   0.027  15.626   3.188
  457    H    ASP  32           H        ASP  32   2.437  13.580  -1.508
  458    HA   ASP  32           HA       ASP  32   1.723  16.106  -2.551
  459   1HB   ASP  32          1HB       ASP  32   3.709  15.787  -1.162
  460   2HB   ASP  32          2HB       ASP  32   4.433  14.770  -2.404
  461    H    LYS  33           H        LYS  33   3.234  13.260  -4.057
  462    HA   LYS  33           HA       LYS  33   3.488  14.504  -6.617
  463   1HB   LYS  33          1HB       LYS  33   4.943  12.649  -5.839
  464   2HB   LYS  33          2HB       LYS  33   3.563  11.563  -5.926
  465   1HG   LYS  33          1HG       LYS  33   3.394  11.976  -8.333
  466   2HG   LYS  33          2HG       LYS  33   4.796  13.041  -8.240
  467   1HD   LYS  33          1HD       LYS  33   4.775  10.108  -7.525
  468   2HD   LYS  33          2HD       LYS  33   5.389  10.788  -9.033
  469   1HE   LYS  33          1HE       LYS  33   6.444  11.353  -6.263
  470   2HE   LYS  33          2HE       LYS  33   7.208  10.329  -7.476
  471   1HZ   LYS  33          1HZ       LYS  33   8.164  12.099  -8.366
  472   2HZ   LYS  33          2HZ       LYS  33   7.531  13.059  -7.126
  473   3HZ   LYS  33          3HZ       LYS  33   6.673  12.874  -8.572
  474    H    GLU  34           H        GLU  34   1.497  11.710  -5.631
  475    HA   GLU  34           HA       GLU  34  -0.105  11.793  -7.958
  476   1HB   GLU  34          1HB       GLU  34  -0.516  10.406  -5.313
  477   2HB   GLU  34          2HB       GLU  34  -1.559  10.175  -6.710
  478   1HG   GLU  34          1HG       GLU  34   0.387   9.380  -7.995
  479   2HG   GLU  34          2HG       GLU  34   1.379   9.541  -6.546
  480    H    GLY  35           H        GLY  35  -0.573  13.119  -4.712
  481   1HA   GLY  35          1HA       GLY  35  -1.939  14.947  -4.181
  482   2HA   GLY  35          2HA       GLY  35  -2.674  14.831  -5.774
  483    H    ILE  36           H        ILE  36  -2.327  12.542  -3.080
  484    HA   ILE  36           HA       ILE  36  -5.251  12.389  -2.868
  485    HB   ILE  36           HB       ILE  36  -3.391  10.020  -3.127
  486   1HG1  ILE  36          1HG1      ILE  36  -5.745  10.901  -4.811
  487   2HG1  ILE  36          2HG1      ILE  36  -4.051  11.084  -5.254
  488   1HG2  ILE  36          1HG2      ILE  36  -5.964  10.266  -1.811
  489   2HG2  ILE  36          2HG2      ILE  36  -4.805   8.939  -1.788
  490   3HG2  ILE  36          3HG2      ILE  36  -5.981   9.059  -3.096
  491   1HD1  ILE  36          1HD1      ILE  36  -4.071   9.072  -6.161
  492   2HD1  ILE  36          2HD1      ILE  36  -5.770   8.894  -5.722
  493   3HD1  ILE  36          3HD1      ILE  36  -4.511   8.360  -4.608
  494    HA   PRO  37           HA       PRO  37  -4.399  12.938   1.459
  495   1HB   PRO  37          1HB       PRO  37  -6.612  11.483   2.362
  496   2HB   PRO  37          2HB       PRO  37  -6.582  13.211   2.003
  497   1HG   PRO  37          1HG       PRO  37  -7.518  10.938   0.312
  498   2HG   PRO  37          2HG       PRO  37  -8.185  12.575   0.467
  499   1HD   PRO  37          1HD       PRO  37  -6.739  11.876  -1.666
  500   2HD   PRO  37          2HD       PRO  37  -6.580  13.493  -0.946
  501    HA   PRO  38           HA       PRO  38  -2.222   9.148   2.343
  502   1HB   PRO  38          1HB       PRO  38  -1.498   9.760   4.903
  503   2HB   PRO  38          2HB       PRO  38  -0.674  10.398   3.476
  504   1HG   PRO  38          1HG       PRO  38  -2.769  11.683   5.186
  505   2HG   PRO  38          2HG       PRO  38  -1.282  12.386   4.520
  506   1HD   PRO  38          1HD       PRO  38  -3.683  12.826   3.392
  507   2HD   PRO  38          2HD       PRO  38  -2.207  12.669   2.417
  508    H    ASP  39           H        ASP  39  -4.470  10.466   4.766
  509    HA   ASP  39           HA       ASP  39  -4.837   8.141   6.259
  510   1HB   ASP  39          1HB       ASP  39  -6.834  10.349   5.719
  511   2HB   ASP  39          2HB       ASP  39  -6.949   9.162   7.015
  512    H    GLN  40           H        GLN  40  -6.642   9.325   3.437
  513    HA   GLN  40           HA       GLN  40  -8.529   7.239   3.379
  514   1HB   GLN  40          1HB       GLN  40  -7.538   9.184   1.322
  515   2HB   GLN  40          2HB       GLN  40  -8.671   7.916   0.882
  516   1HG   GLN  40          1HG       GLN  40  -9.822   9.997   1.341
  517   2HG   GLN  40          2HG       GLN  40 -10.270   8.757   2.508
  518   1HE2  GLN  40          1HE2      GLN  40  -9.394  11.915   2.136
  519   2HE2  GLN  40          2HE2      GLN  40  -8.893  12.264   3.752
  520    H    GLN  41           H        GLN  41  -5.621   7.686   1.344
  521    HA   GLN  41           HA       GLN  41  -5.808   5.133   0.148
  522   1HB   GLN  41          1HB       GLN  41  -3.521   5.537  -0.642
  523   2HB   GLN  41          2HB       GLN  41  -4.541   6.948  -0.884
  524   1HG   GLN  41          1HG       GLN  41  -3.570   7.996   1.089
  525   2HG   GLN  41          2HG       GLN  41  -2.559   6.575   1.349
  526   1HE2  GLN  41          1HE2      GLN  41  -2.521   9.614   0.211
  527   2HE2  GLN  41          2HE2      GLN  41  -1.232   9.501  -0.933
  528    H    ARG  42           H        ARG  42  -5.196   3.171   0.832
  529    HA   ARG  42           HA       ARG  42  -3.508   3.032   3.245
  530   1HB   ARG  42          1HB       ARG  42  -5.808   1.216   2.502
  531   2HB   ARG  42          2HB       ARG  42  -4.763   1.015   3.902
  532   1HG   ARG  42          1HG       ARG  42  -5.542   3.160   4.786
  533   2HG   ARG  42          2HG       ARG  42  -6.602   3.343   3.387
  534   1HD   ARG  42          1HD       ARG  42  -7.829   2.506   5.323
  535   2HD   ARG  42          2HD       ARG  42  -7.804   1.319   4.020
  536    HE   ARG  42           HE       ARG  42  -6.804  -0.108   5.477
  537   1HH1  ARG  42          1HH1      ARG  42  -6.045   3.146   6.480
  538   2HH1  ARG  42          2HH1      ARG  42  -5.129   2.640   7.860
  539   1HH2  ARG  42          1HH2      ARG  42  -5.600  -0.775   7.292
  540   2HH2  ARG  42          2HH2      ARG  42  -4.875   0.415   8.321
  541    H    LEU  43           H        LEU  43  -1.652   2.022   2.948
  542    HA   LEU  43           HA       LEU  43  -1.127   0.572   0.520
  543   1HB   LEU  43          1HB       LEU  43   0.607   1.079   2.938
  544   2HB   LEU  43          2HB       LEU  43   1.156   0.328   1.452
  545    HG   LEU  43           HG       LEU  43   0.126   3.155   1.702
  546   1HD1  LEU  43          1HD1      LEU  43   2.921   2.099   1.303
  547   2HD1  LEU  43          2HD1      LEU  43   2.298   2.878   2.758
  548   3HD1  LEU  43          3HD1      LEU  43   2.446   3.797   1.260
  549   1HD2  LEU  43          1HD2      LEU  43   1.522   1.981  -0.674
  550   2HD2  LEU  43          2HD2      LEU  43   0.540   3.442  -0.570
  551   3HD2  LEU  43          3HD2      LEU  43  -0.228   1.856  -0.492
  552    H    ILE  44           H        ILE  44  -0.805  -1.580   0.250
  553    HA   ILE  44           HA       ILE  44  -1.069  -3.332   2.592
  554    HB   ILE  44           HB       ILE  44  -2.589  -3.676   0.002
  555   1HG1  ILE  44          1HG1      ILE  44  -3.570  -3.128   2.814
  556   2HG1  ILE  44          2HG1      ILE  44  -3.542  -1.962   1.496
  557   1HG2  ILE  44          1HG2      ILE  44  -3.281  -5.415   2.237
  558   2HG2  ILE  44          2HG2      ILE  44  -1.640  -5.664   1.641
  559   3HG2  ILE  44          3HG2      ILE  44  -3.010  -5.804   0.539
  560   1HD1  ILE  44          1HD1      ILE  44  -5.107  -4.527   1.421
  561   2HD1  ILE  44          2HD1      ILE  44  -5.197  -3.175   0.291
  562   3HD1  ILE  44          3HD1      ILE  44  -5.766  -2.979   1.949
  563    H    PHE  45           H        PHE  45   0.174  -5.134   2.549
  564    HA   PHE  45           HA       PHE  45   1.331  -6.170   0.137
  565   1HB   PHE  45          1HB       PHE  45   2.790  -4.213   0.558
  566   2HB   PHE  45          2HB       PHE  45   3.163  -4.851   2.155
  567    HD1  PHE  45           HD1      PHE  45   3.027  -6.368  -1.258
  568    HD2  PHE  45           HD2      PHE  45   5.323  -5.602   2.243
  569    HE1  PHE  45           HE1      PHE  45   4.899  -7.649  -2.211
  570    HE2  PHE  45           HE2      PHE  45   7.199  -6.882   1.298
  571    HZ   PHE  45           HZ       PHE  45   6.989  -7.908  -0.931
  572    H    ALA  46           H        ALA  46   1.978  -8.255   0.391
  573    HA   ALA  46           HA       ALA  46   2.066 -10.325   1.338
  574   1HB   ALA  46          1HB       ALA  46   3.131  -9.360   3.905
  575   2HB   ALA  46          2HB       ALA  46   4.016  -8.833   2.474
  576   3HB   ALA  46          3HB       ALA  46   3.780 -10.553   2.780
  577    H    GLY  47           H        GLY  47  -0.392  -8.995   1.626
  578   1HA   GLY  47          1HA       GLY  47  -2.389  -9.201   2.732
  579   2HA   GLY  47          2HA       GLY  47  -1.687 -10.608   3.515
  580    H    LYS  48           H        LYS  48  -0.470  -7.309   3.759
  581    HA   LYS  48           HA       LYS  48  -1.630  -6.949   6.396
  582   1HB   LYS  48          1HB       LYS  48   1.363  -7.121   5.984
  583   2HB   LYS  48          2HB       LYS  48   0.593  -6.516   7.443
  584   1HG   LYS  48          1HG       LYS  48  -0.429  -8.700   7.817
  585   2HG   LYS  48          2HG       LYS  48   0.337  -9.309   6.348
  586   1HD   LYS  48          1HD       LYS  48   2.541  -8.868   7.318
  587   2HD   LYS  48          2HD       LYS  48   1.775  -8.254   8.784
  588   1HE   LYS  48          1HE       LYS  48   1.546 -11.061   7.701
  589   2HE   LYS  48          2HE       LYS  48   2.530 -10.559   9.075
  590   1HZ   LYS  48          1HZ       LYS  48   0.639 -10.113  10.350
  591   2HZ   LYS  48          2HZ       LYS  48   0.278 -11.571   9.573
  592   3HZ   LYS  48          3HZ       LYS  48  -0.395 -10.125   9.011
  593    H    GLN  49           H        GLN  49  -2.167  -4.882   6.647
  594    HA   GLN  49           HA       GLN  49  -1.443  -2.927   4.693
  595   1HB   GLN  49          1HB       GLN  49  -3.003  -2.779   7.271
  596   2HB   GLN  49          2HB       GLN  49  -2.698  -1.366   6.273
  597   1HG   GLN  49          1HG       GLN  49  -4.906  -2.287   5.860
  598   2HG   GLN  49          2HG       GLN  49  -3.893  -2.386   4.423
  599   1HE2  GLN  49          1HE2      GLN  49  -5.933  -4.048   6.484
  600   2HE2  GLN  49          2HE2      GLN  49  -5.604  -5.655   5.942
  601    H    LEU  50           H        LEU  50   0.119  -1.401   4.763
  602    HA   LEU  50           HA       LEU  50   2.213  -1.628   6.649
  603   1HB   LEU  50          1HB       LEU  50   1.637   0.652   4.754
  604   2HB   LEU  50          2HB       LEU  50   3.159   0.355   5.571
  605    HG   LEU  50           HG       LEU  50   1.901  -1.390   3.451
  606   1HD1  LEU  50          1HD1      LEU  50   2.826   0.259   2.201
  607   2HD1  LEU  50          2HD1      LEU  50   4.272  -0.716   2.455
  608   3HD1  LEU  50          3HD1      LEU  50   3.986   0.711   3.451
  609   1HD2  LEU  50          1HD2      LEU  50   3.902  -2.747   3.584
  610   2HD2  LEU  50          2HD2      LEU  50   3.096  -2.712   5.152
  611   3HD2  LEU  50          3HD2      LEU  50   4.536  -1.732   4.879
  612    H    GLU  51           H        GLU  51   2.428  -0.795   8.612
  613    HA   GLU  51           HA       GLU  51   0.401   0.899   9.725
  614   1HB   GLU  51          1HB       GLU  51   3.030  -0.036  10.892
  615   2HB   GLU  51          2HB       GLU  51   1.749   0.767  11.790
  616   1HG   GLU  51          1HG       GLU  51   0.246  -1.097  11.316
  617   2HG   GLU  51          2HG       GLU  51   1.530  -1.902  10.416
  618    H    ASP  52           H        ASP  52   0.505   3.040  10.264
  619    HA   ASP  52           HA       ASP  52   2.387   4.648   8.825
  620   1HB   ASP  52          1HB       ASP  52   1.136   6.556   9.777
  621   2HB   ASP  52          2HB       ASP  52   0.077   5.372   9.018
  622    H    GLY  53           H        GLY  53   3.942   3.190  10.488
  623   1HA   GLY  53          1HA       GLY  53   5.460   5.118  11.829
  624   2HA   GLY  53          2HA       GLY  53   4.446   4.321  13.021
  625    H    ARG  54           H        ARG  54   6.140   3.045  10.156
  626    HA   ARG  54           HA       ARG  54   7.992   1.580  11.842
  627   1HB   ARG  54          1HB       ARG  54   5.935   0.216  10.111
  628   2HB   ARG  54          2HB       ARG  54   7.391  -0.580  10.678
  629   1HG   ARG  54          1HG       ARG  54   5.279   0.611  12.459
  630   2HG   ARG  54          2HG       ARG  54   5.415  -1.100  12.047
  631   1HD   ARG  54          1HD       ARG  54   7.642  -1.163  13.067
  632   2HD   ARG  54          2HD       ARG  54   7.501   0.545  13.480
  633    HE   ARG  54           HE       ARG  54   6.368  -0.106  15.337
  634   1HH1  ARG  54          1HH1      ARG  54   5.908  -2.551  12.893
  635   2HH1  ARG  54          2HH1      ARG  54   4.949  -3.570  13.914
  636   1HH2  ARG  54          1HH2      ARG  54   5.110  -1.443  16.684
  637   2HH2  ARG  54          2HH2      ARG  54   4.495  -2.941  16.068
  638    H    THR  55           H        THR  55   9.882   1.129  10.845
  639    HA   THR  55           HA       THR  55  10.453   2.413   8.370
  640    HB   THR  55           HB       THR  55  12.717   1.461   8.616
  641    HG1  THR  55           HG1      THR  55  12.413  -0.498   9.570
  642   1HG2  THR  55          1HG2      THR  55  12.177   2.332  11.375
  643   2HG2  THR  55          2HG2      THR  55  11.568   3.408  10.117
  644   3HG2  THR  55          3HG2      THR  55  13.282   2.996  10.171
  645    H    LEU  56           H        LEU  56  10.968   1.555   6.386
  646    HA   LEU  56           HA       LEU  56   9.553  -0.724   5.547
  647   1HB   LEU  56          1HB       LEU  56  11.802   0.749   4.176
  648   2HB   LEU  56          2HB       LEU  56  10.739  -0.412   3.404
  649    HG   LEU  56           HG       LEU  56   9.868   2.224   4.593
  650   1HD1  LEU  56          1HD1      LEU  56  11.264   2.342   2.508
  651   2HD1  LEU  56          2HD1      LEU  56   9.642   3.021   2.370
  652   3HD1  LEU  56          3HD1      LEU  56   9.993   1.430   1.694
  653   1HD2  LEU  56          1HD2      LEU  56   7.745   1.710   3.395
  654   2HD2  LEU  56          2HD2      LEU  56   8.085   0.634   4.749
  655   3HD2  LEU  56          3HD2      LEU  56   8.363   0.086   3.096
  656    H    SER  57           H        SER  57  12.878  -0.287   6.568
  657    HA   SER  57           HA       SER  57  14.098  -2.522   5.520
  658   1HB   SER  57          1HB       SER  57  14.528  -1.333   8.271
  659   2HB   SER  57          2HB       SER  57  15.646  -2.413   7.438
  660    HG   SER  57           HG       SER  57  14.804   0.130   6.498
  661    H    ASP  58           H        ASP  58  12.249  -2.328   8.561
  662    HA   ASP  58           HA       ASP  58  12.632  -4.956   9.403
  663   1HB   ASP  58          1HB       ASP  58  10.288  -3.096   9.818
  664   2HB   ASP  58          2HB       ASP  58  10.451  -4.649  10.633
  665    H    TYR  59           H        TYR  59  10.121  -3.606   7.292
  666    HA   TYR  59           HA       TYR  59   8.686  -6.011   6.943
  667   1HB   TYR  59          1HB       TYR  59   8.878  -3.563   5.180
  668   2HB   TYR  59          2HB       TYR  59   7.751  -4.887   4.906
  669    HD1  TYR  59           HD1      TYR  59   8.775  -2.579   7.670
  670    HD2  TYR  59           HD2      TYR  59   5.608  -4.630   5.706
  671    HE1  TYR  59           HE1      TYR  59   7.155  -1.502   9.169
  672    HE2  TYR  59           HE2      TYR  59   3.978  -3.556   7.201
  673    HH   TYR  59           HH       TYR  59   3.885  -1.420   8.591
  674    H    ASN  60           H        ASN  60  11.510  -4.677   5.378
  675    HA   ASN  60           HA       ASN  60  12.990  -5.536   3.879
  676   1HB   ASN  60          1HB       ASN  60  12.824  -7.521   5.453
  677   2HB   ASN  60          2HB       ASN  60  11.652  -8.211   4.335
  678   1HD2  ASN  60          1HD2      ASN  60  14.791  -8.252   5.210
  679   2HD2  ASN  60          2HD2      ASN  60  15.508  -8.800   3.736
  680    H    ILE  61           H        ILE  61  10.933  -4.254   2.786
  681    HA   ILE  61           HA       ILE  61   9.394  -5.735   0.923
  682    HB   ILE  61           HB       ILE  61  10.125  -2.804   0.840
  683   1HG1  ILE  61          1HG1      ILE  61   7.706  -4.183   2.031
  684   2HG1  ILE  61          2HG1      ILE  61   9.030  -3.480   2.953
  685   1HG2  ILE  61          1HG2      ILE  61   7.742  -4.164  -0.398
  686   2HG2  ILE  61          2HG2      ILE  61   9.237  -3.845  -1.277
  687   3HG2  ILE  61          3HG2      ILE  61   8.290  -2.504  -0.634
  688   1HD1  ILE  61          1HD1      ILE  61   8.256  -1.381   1.401
  689   2HD1  ILE  61          2HD1      ILE  61   7.722  -1.679   3.056
  690   3HD1  ILE  61          3HD1      ILE  61   6.726  -2.206   1.699
  691    H    GLN  62           H        GLN  62   9.791  -6.365  -1.113
  692    HA   GLN  62           HA       GLN  62  12.457  -6.397  -2.092
  693   1HB   GLN  62          1HB       GLN  62  11.513  -7.508  -4.061
  694   2HB   GLN  62          2HB       GLN  62  10.888  -8.209  -2.574
  695   1HG   GLN  62          1HG       GLN  62   8.817  -6.965  -2.837
  696   2HG   GLN  62          2HG       GLN  62   9.444  -6.212  -4.302
  697   1HE2  GLN  62          1HE2      GLN  62   8.701  -7.074  -6.090
  698   2HE2  GLN  62          2HE2      GLN  62   8.248  -8.725  -6.322
  699    H    LYS  63           H        LYS  63  13.320  -5.424  -3.957
  700    HA   LYS  63           HA       LYS  63  12.796  -2.722  -4.303
  701   1HB   LYS  63          1HB       LYS  63  14.931  -3.760  -4.877
  702   2HB   LYS  63          2HB       LYS  63  14.163  -4.658  -6.180
  703   1HG   LYS  63          1HG       LYS  63  13.658  -2.580  -7.329
  704   2HG   LYS  63          2HG       LYS  63  14.397  -1.667  -6.015
  705   1HD   LYS  63          1HD       LYS  63  15.950  -1.869  -7.870
  706   2HD   LYS  63          2HD       LYS  63  16.545  -2.774  -6.478
  707   1HE   LYS  63          1HE       LYS  63  16.845  -4.040  -8.539
  708   2HE   LYS  63          2HE       LYS  63  15.707  -4.847  -7.461
  709   1HZ   LYS  63          1HZ       LYS  63  13.999  -3.458  -8.875
  710   2HZ   LYS  63          2HZ       LYS  63  14.559  -4.965  -9.399
  711   3HZ   LYS  63          3HZ       LYS  63  15.228  -3.549 -10.035
  712    H    GLU  64           H        GLU  64  11.816  -1.536  -5.945
  713    HA   GLU  64           HA       GLU  64   9.986  -1.001  -7.188
  714   1HB   GLU  64          1HB       GLU  64   9.950  -2.010  -9.411
  715   2HB   GLU  64          2HB       GLU  64  11.586  -1.604  -8.918
  716   1HG   GLU  64          1HG       GLU  64  11.993  -3.947  -8.359
  717   2HG   GLU  64          2HG       GLU  64  10.355  -4.348  -8.872
  718    H    SER  65           H        SER  65   9.207  -2.518  -5.049
  719    HA   SER  65           HA       SER  65   7.491  -4.668  -5.875
  720   1HB   SER  65          1HB       SER  65   8.502  -4.672  -3.642
  721   2HB   SER  65          2HB       SER  65   7.653  -3.178  -3.244
  722    HG   SER  65           HG       SER  65   5.859  -4.265  -2.951
  723    H    THR  66           H        THR  66   5.267  -4.678  -6.051
  724    HA   THR  66           HA       THR  66   4.052  -2.061  -6.509
  725    HB   THR  66           HB       THR  66   2.966  -4.821  -7.119
  726    HG1  THR  66           HG1      THR  66   3.455  -4.088  -9.321
  727   1HG2  THR  66          1HG2      THR  66   1.719  -2.940  -8.741
  728   2HG2  THR  66          2HG2      THR  66   1.760  -2.181  -7.150
  729   3HG2  THR  66          3HG2      THR  66   1.009  -3.764  -7.353
  730    H    LEU  67           H        LEU  67   3.499  -1.248  -4.522
  731    HA   LEU  67           HA       LEU  67   2.169  -2.897  -2.556
  732   1HB   LEU  67          1HB       LEU  67   2.675   0.081  -2.571
  733   2HB   LEU  67          2HB       LEU  67   2.093  -0.848  -1.205
  734    HG   LEU  67           HG       LEU  67   4.811  -1.128  -2.491
  735   1HD1  LEU  67          1HD1      LEU  67   5.558  -0.256  -0.253
  736   2HD1  LEU  67          2HD1      LEU  67   3.875   0.172   0.055
  737   3HD1  LEU  67          3HD1      LEU  67   4.741   0.914  -1.290
  738   1HD2  LEU  67          1HD2      LEU  67   4.264  -3.254  -1.648
  739   2HD2  LEU  67          2HD2      LEU  67   3.475  -2.577  -0.224
  740   3HD2  LEU  67          3HD2      LEU  67   5.229  -2.493  -0.383
  741    H    HIS  68           H        HIS  68   0.035  -3.100  -2.265
  742    HA   HIS  68           HA       HIS  68  -1.772  -1.942  -4.153
  743   1HB   HIS  68          1HB       HIS  68  -2.294  -3.573  -1.661
  744   2HB   HIS  68          2HB       HIS  68  -3.523  -3.123  -2.839
  745    HD1  HIS  68           HD1      HIS  68  -2.641  -3.904  -5.444
  746    HD2  HIS  68           HD2      HIS  68  -1.429  -6.077  -2.118
  747    HE1  HIS  68           HE1      HIS  68  -1.964  -6.159  -6.325
  748    HE2  HIS  68           HE2      HIS  68  -1.355  -7.495  -4.279
  749    H    LEU  69           H        LEU  69  -3.467  -0.487  -3.776
  750    HA   LEU  69           HA       LEU  69  -3.341   1.023  -1.257
  751   1HB   LEU  69          1HB       LEU  69  -2.066   2.164  -3.101
  752   2HB   LEU  69          2HB       LEU  69  -3.567   2.286  -3.991
  753    HG   LEU  69           HG       LEU  69  -3.190   3.524  -1.267
  754   1HD1  LEU  69          1HD1      LEU  69  -3.138   5.625  -2.930
  755   2HD1  LEU  69          2HD1      LEU  69  -2.316   4.433  -3.937
  756   3HD1  LEU  69          3HD1      LEU  69  -1.683   4.823  -2.338
  757   1HD2  LEU  69          1HD2      LEU  69  -5.317   3.515  -3.334
  758   2HD2  LEU  69          2HD2      LEU  69  -5.016   5.032  -2.486
  759   3HD2  LEU  69          3HD2      LEU  69  -5.443   3.583  -1.576
  760    H    VAL  70           H        VAL  70  -5.280   1.235  -0.345
  761    HA   VAL  70           HA       VAL  70  -7.668   0.947  -2.051
  762    HB   VAL  70           HB       VAL  70  -7.406   0.181   0.864
  763   1HG1  VAL  70          1HG1      VAL  70  -9.649   0.838   0.414
  764   2HG1  VAL  70          2HG1      VAL  70  -9.616  -0.928   0.442
  765   3HG1  VAL  70          3HG1      VAL  70  -9.675  -0.068  -1.099
  766   1HG2  VAL  70          1HG2      VAL  70  -7.728  -2.155  -0.035
  767   2HG2  VAL  70          2HG2      VAL  70  -6.161  -1.413  -0.371
  768   3HG2  VAL  70          3HG2      VAL  70  -7.387  -1.494  -1.636
  769    H    LEU  71           H        LEU  71  -9.040   2.626  -2.058
  770    HA   LEU  71           HA       LEU  71  -8.431   4.937  -0.458
  771   1HB   LEU  71          1HB       LEU  71 -10.642   4.423  -2.446
  772   2HB   LEU  71          2HB       LEU  71 -10.367   5.961  -1.653
  773    HG   LEU  71           HG       LEU  71  -8.070   5.977  -2.708
  774   1HD1  LEU  71          1HD1      LEU  71  -8.276   4.499  -4.933
  775   2HD1  LEU  71          2HD1      LEU  71  -9.130   3.450  -3.802
  776   3HD1  LEU  71          3HD1      LEU  71  -7.468   3.939  -3.469
  777   1HD2  LEU  71          1HD2      LEU  71  -9.180   6.330  -5.086
  778   2HD2  LEU  71          2HD2      LEU  71  -9.448   7.455  -3.755
  779   3HD2  LEU  71          3HD2      LEU  71 -10.660   6.231  -4.132
  780    H    ARG  72           H        ARG  72  -9.265   5.455   1.430
  781    HA   ARG  72           HA       ARG  72 -10.980   3.812   2.898
  782   1HB   ARG  72          1HB       ARG  72  -9.499   5.412   3.973
  783   2HB   ARG  72          2HB       ARG  72 -10.361   6.753   3.236
  784   1HG   ARG  72          1HG       ARG  72 -11.009   6.572   5.533
  785   2HG   ARG  72          2HG       ARG  72 -12.376   6.111   4.518
  786   1HD   ARG  72          1HD       ARG  72 -12.154   4.592   6.403
  787   2HD   ARG  72          2HD       ARG  72 -11.848   3.749   4.886
  788    HE   ARG  72           HE       ARG  72  -9.785   3.245   5.692
  789   1HH1  ARG  72          1HH1      ARG  72 -10.884   6.145   7.282
  790   2HH1  ARG  72          2HH1      ARG  72  -9.472   6.291   8.273
  791   1HH2  ARG  72          1HH2      ARG  72  -7.923   3.430   6.997
  792   2HH2  ARG  72          2HH2      ARG  72  -7.790   4.749   8.112
  793    H    LEU  73           H        LEU  73 -13.167   3.894   3.378
  794    HA   LEU  73           HA       LEU  73 -14.972   4.483   1.402
  795   1HB   LEU  73          1HB       LEU  73 -15.490   3.100   3.354
  796   2HB   LEU  73          2HB       LEU  73 -15.461   4.520   4.381
  797    HG   LEU  73           HG       LEU  73 -17.403   5.427   3.123
  798   1HD1  LEU  73          1HD1      LEU  73 -18.266   2.933   1.981
  799   2HD1  LEU  73          2HD1      LEU  73 -16.732   3.442   1.275
  800   3HD1  LEU  73          3HD1      LEU  73 -18.126   4.522   1.230
  801   1HD2  LEU  73          1HD2      LEU  73 -18.412   2.808   3.960
  802   2HD2  LEU  73          2HD2      LEU  73 -18.808   4.422   4.549
  803   3HD2  LEU  73          3HD2      LEU  73 -17.364   3.599   5.138
  804    H    ARG  74           H        ARG  74 -16.133   6.215   0.740
  805    HA   ARG  74           HA       ARG  74 -15.204   8.795   1.148
  806   1HB   ARG  74          1HB       ARG  74 -17.971   7.933   0.283
  807   2HB   ARG  74          2HB       ARG  74 -17.303   9.547   0.085
  808   1HG   ARG  74          1HG       ARG  74 -15.554   8.629  -1.374
  809   2HG   ARG  74          2HG       ARG  74 -16.272   7.026  -1.199
  810   1HD   ARG  74          1HD       ARG  74 -18.352   7.850  -2.191
  811   2HD   ARG  74          2HD       ARG  74 -17.637   9.452  -2.361
  812    HE   ARG  74           HE       ARG  74 -17.350   7.303  -4.152
  813   1HH1  ARG  74          1HH1      ARG  74 -15.471   9.837  -2.665
  814   2HH1  ARG  74          2HH1      ARG  74 -14.332   9.929  -3.966
  815   1HH2  ARG  74          1HH2      ARG  74 -15.854   7.420  -5.865
  816   2HH2  ARG  74          2HH2      ARG  74 -14.547   8.555  -5.782
  817    H    GLY  75           H        GLY  75 -18.011   7.189   2.629
  818   1HA   GLY  75          1HA       GLY  75 -19.087   7.591   4.619
  819   2HA   GLY  75          2HA       GLY  75 -17.707   8.572   5.087
  820    H    GLY  76           H        GLY  76 -20.810   8.817   5.111
  821   1HA   GLY  76          1HA       GLY  76 -20.905  11.624   5.018
  822   2HA   GLY  76          2HA       GLY  76 -21.527  11.001   3.497
  Start of MODEL    8
    1   1H    TYR 255          1H        TYR 255  27.001   1.091  -2.751
    2   2H    TYR 255          2H        TYR 255  26.420   2.654  -2.465
    3   3H    TYR 255          3H        TYR 255  25.693   1.684  -3.645
    4    HA   TYR 255           HA       TYR 255  25.530   0.152  -1.418
    5   1HB   TYR 255          1HB       TYR 255  25.153   3.072  -0.757
    6   2HB   TYR 255          2HB       TYR 255  24.430   1.785   0.202
    7    HD1  TYR 255           HD1      TYR 255  25.545   1.435   2.175
    8    HD2  TYR 255           HD2      TYR 255  27.820   2.376  -1.296
    9    HE1  TYR 255           HE1      TYR 255  27.615   1.230   3.484
   10    HE2  TYR 255           HE2      TYR 255  29.897   2.171   0.004
   11    HH   TYR 255           HH       TYR 255  30.740   1.225   1.992
   12    HA   PRO 256           HA       PRO 256  21.603  -0.217  -3.416
   13   1HB   PRO 256          1HB       PRO 256  20.254  -1.571  -1.466
   14   2HB   PRO 256          2HB       PRO 256  21.434  -2.327  -2.541
   15   1HG   PRO 256          1HG       PRO 256  21.789  -1.337   0.262
   16   2HG   PRO 256          2HG       PRO 256  22.376  -2.840  -0.476
   17   1HD   PRO 256          1HD       PRO 256  23.984  -0.713  -0.122
   18   2HD   PRO 256          2HD       PRO 256  24.140  -1.778  -1.535
   19    H    GLU 257           H        GLU 257  19.826   1.018  -3.588
   20    HA   GLU 257           HA       GLU 257  19.402   3.229  -1.916
   21   1HB   GLU 257          1HB       GLU 257  17.511   1.922  -3.880
   22   2HB   GLU 257          2HB       GLU 257  17.282   3.513  -3.169
   23   1HG   GLU 257          1HG       GLU 257  19.558   2.687  -4.958
   24   2HG   GLU 257          2HG       GLU 257  18.167   3.664  -5.426
   25    H    ASP 258           H        ASP 258  18.237   3.532  -0.115
   26    HA   ASP 258           HA       ASP 258  17.247   1.317   1.333
   27   1HB   ASP 258          1HB       ASP 258  16.422   3.023   2.949
   28   2HB   ASP 258          2HB       ASP 258  18.117   3.223   2.522
   29    H    GLU 259           H        GLU 259  15.670   3.782  -0.638
   30    HA   GLU 259           HA       GLU 259  13.008   3.208   0.055
   31   1HB   GLU 259          1HB       GLU 259  14.348   4.496  -2.276
   32   2HB   GLU 259          2HB       GLU 259  12.661   4.037  -2.444
   33   1HG   GLU 259          1HG       GLU 259  13.032   6.391  -1.746
   34   2HG   GLU 259          2HG       GLU 259  12.010   5.458  -0.656
   35    H    GLU 260           H        GLU 260  15.006   1.966  -2.615
   36    HA   GLU 260           HA       GLU 260  13.063   0.264  -3.711
   37   1HB   GLU 260          1HB       GLU 260  16.076   0.031  -3.762
   38   2HB   GLU 260          2HB       GLU 260  14.984  -0.911  -4.766
   39   1HG   GLU 260          1HG       GLU 260  14.173   1.146  -5.810
   40   2HG   GLU 260          2HG       GLU 260  15.279   2.084  -4.810
   41    H    GLU 261           H        GLU 261  15.474  -0.259  -1.186
   42    HA   GLU 261           HA       GLU 261  15.159  -3.028  -0.906
   43   1HB   GLU 261          1HB       GLU 261  17.004  -1.755   0.111
   44   2HB   GLU 261          2HB       GLU 261  15.868  -0.997   1.218
   45   1HG   GLU 261          1HG       GLU 261  17.071  -2.783   2.318
   46   2HG   GLU 261          2HG       GLU 261  15.357  -3.178   2.191
   47    H    LEU 262           H        LEU 262  13.570  -0.365   0.850
   48    HA   LEU 262           HA       LEU 262  11.971  -1.943   2.512
   49   1HB   LEU 262          1HB       LEU 262  11.415   0.799   1.380
   50   2HB   LEU 262          2HB       LEU 262  10.530   0.064   2.703
   51    HG   LEU 262           HG       LEU 262  13.473   0.741   2.753
   52   1HD1  LEU 262          1HD1      LEU 262  12.953   2.623   4.041
   53   2HD1  LEU 262          2HD1      LEU 262  11.295   2.090   4.314
   54   3HD1  LEU 262          3HD1      LEU 262  11.787   2.658   2.719
   55   1HD2  LEU 262          1HD2      LEU 262  13.082  -1.108   4.197
   56   2HD2  LEU 262          2HD2      LEU 262  11.604  -0.385   4.830
   57   3HD2  LEU 262          3HD2      LEU 262  13.170   0.329   5.215
   58    H    ILE 263           H        ILE 263  11.286  -0.585  -0.696
   59    HA   ILE 263           HA       ILE 263   8.642  -1.429  -0.934
   60    HB   ILE 263           HB       ILE 263  10.786  -0.806  -2.913
   61   1HG1  ILE 263          1HG1      ILE 263   8.046   0.369  -2.446
   62   2HG1  ILE 263          2HG1      ILE 263   9.542   0.988  -1.758
   63   1HG2  ILE 263          1HG2      ILE 263   8.101  -1.996  -3.577
   64   2HG2  ILE 263          2HG2      ILE 263   9.693  -2.594  -4.043
   65   3HG2  ILE 263          3HG2      ILE 263   9.077  -1.095  -4.737
   66   1HD1  ILE 263          1HD1      ILE 263  10.001   2.134  -3.596
   67   2HD1  ILE 263          2HD1      ILE 263   8.371   1.743  -4.146
   68   3HD1  ILE 263          3HD1      ILE 263   9.730   0.727  -4.625
   69    H    ARG 264           H        ARG 264  11.590  -3.104  -2.106
   70    HA   ARG 264           HA       ARG 264  10.210  -5.391  -2.996
   71   1HB   ARG 264          1HB       ARG 264  12.381  -6.499  -3.072
   72   2HB   ARG 264          2HB       ARG 264  12.446  -4.897  -3.790
   73   1HG   ARG 264          1HG       ARG 264  13.480  -4.022  -1.755
   74   2HG   ARG 264          2HG       ARG 264  13.412  -5.631  -1.032
   75   1HD   ARG 264          1HD       ARG 264  14.934  -4.862  -3.522
   76   2HD   ARG 264          2HD       ARG 264  15.634  -5.159  -1.931
   77    HE   ARG 264           HE       ARG 264  14.177  -7.422  -2.681
   78   1HH1  ARG 264          1HH1      ARG 264  17.036  -5.679  -3.650
   79   2HH1  ARG 264          2HH1      ARG 264  17.835  -7.083  -4.275
   80   1HH2  ARG 264          1HH2      ARG 264  15.222  -9.272  -3.500
   81   2HH2  ARG 264          2HH2      ARG 264  16.804  -9.125  -4.189
   82    H    LYS 265           H        LYS 265  11.655  -4.591   0.133
   83    HA   LYS 265           HA       LYS 265  11.511  -7.106   1.331
   84   1HB   LYS 265          1HB       LYS 265  11.160  -4.339   2.487
   85   2HB   LYS 265          2HB       LYS 265  11.141  -5.784   3.488
   86   1HG   LYS 265          1HG       LYS 265  13.427  -4.902   1.738
   87   2HG   LYS 265          2HG       LYS 265  13.325  -4.685   3.484
   88   1HD   LYS 265          1HD       LYS 265  13.264  -7.358   2.089
   89   2HD   LYS 265          2HD       LYS 265  14.713  -6.630   2.779
   90   1HE   LYS 265          1HE       LYS 265  13.885  -8.166   4.386
   91   2HE   LYS 265          2HE       LYS 265  13.501  -6.551   4.979
   92   1HZ   LYS 265          1HZ       LYS 265  11.335  -6.990   4.918
   93   2HZ   LYS 265          2HZ       LYS 265  11.750  -8.617   4.721
   94   3HZ   LYS 265          3HZ       LYS 265  11.410  -7.663   3.367
   95    H    ALA 266           H        ALA 266   9.104  -4.583   0.909
   96    HA   ALA 266           HA       ALA 266   6.992  -5.891   2.281
   97   1HB   ALA 266          1HB       ALA 266   6.090  -4.168   0.138
   98   2HB   ALA 266          2HB       ALA 266   7.378  -3.408   1.073
   99   3HB   ALA 266          3HB       ALA 266   5.917  -3.974   1.882
  100    H    ILE 267           H        ILE 267   8.219  -5.915  -1.002
  101    HA   ILE 267           HA       ILE 267   6.119  -7.239  -2.284
  102    HB   ILE 267           HB       ILE 267   9.069  -7.366  -2.901
  103   1HG1  ILE 267          1HG1      ILE 267   8.154  -5.087  -2.954
  104   2HG1  ILE 267          2HG1      ILE 267   8.567  -5.640  -4.572
  105   1HG2  ILE 267          1HG2      ILE 267   6.675  -8.196  -4.528
  106   2HG2  ILE 267          2HG2      ILE 267   8.010  -9.209  -3.979
  107   3HG2  ILE 267          3HG2      ILE 267   8.290  -7.966  -5.199
  108   1HD1  ILE 267          1HD1      ILE 267   5.982  -6.352  -4.490
  109   2HD1  ILE 267          2HD1      ILE 267   6.550  -4.783  -5.060
  110   3HD1  ILE 267          3HD1      ILE 267   5.954  -4.959  -3.409
  111    H    GLU 268           H        GLU 268   9.061  -8.559  -0.789
  112    HA   GLU 268           HA       GLU 268   8.481 -11.265  -1.306
  113   1HB   GLU 268          1HB       GLU 268  10.195 -10.075   0.876
  114   2HB   GLU 268          2HB       GLU 268  10.223 -11.753   0.353
  115   1HG   GLU 268          1HG       GLU 268  10.925  -9.386  -1.369
  116   2HG   GLU 268          2HG       GLU 268  12.084 -10.436  -0.556
  117    H    LEU 269           H        LEU 269   7.947  -9.264   1.585
  118    HA   LEU 269           HA       LEU 269   6.951 -11.232   3.275
  119   1HB   LEU 269          1HB       LEU 269   6.192  -8.316   3.098
  120   2HB   LEU 269          2HB       LEU 269   5.762  -9.372   4.430
  121    HG   LEU 269           HG       LEU 269   8.585  -8.665   3.624
  122   1HD1  LEU 269          1HD1      LEU 269   8.651  -7.237   5.529
  123   2HD1  LEU 269          2HD1      LEU 269   7.043  -7.751   6.043
  124   3HD1  LEU 269          3HD1      LEU 269   7.235  -6.788   4.578
  125   1HD2  LEU 269          1HD2      LEU 269   7.703  -9.984   6.171
  126   2HD2  LEU 269          2HD2      LEU 269   9.324  -9.874   5.485
  127   3HD2  LEU 269          3HD2      LEU 269   8.118 -10.921   4.736
  128    H    SER 270           H        SER 270   5.235  -9.223   0.917
  129    HA   SER 270           HA       SER 270   2.648 -10.192   1.513
  130   1HB   SER 270          1HB       SER 270   3.706  -8.981  -1.052
  131   2HB   SER 270          2HB       SER 270   2.003  -9.192  -0.649
  132    HG   SER 270           HG       SER 270   2.942  -7.931   1.381
  133    H    LEU 271           H        LEU 271   5.053 -11.143  -0.917
  134    HA   LEU 271           HA       LEU 271   3.509 -13.031  -2.277
  135   1HB   LEU 271          1HB       LEU 271   6.487 -12.931  -1.821
  136   2HB   LEU 271          2HB       LEU 271   5.704 -14.041  -2.929
  137    HG   LEU 271           HG       LEU 271   5.635 -11.029  -3.146
  138   1HD1  LEU 271          1HD1      LEU 271   6.875 -12.130  -5.375
  139   2HD1  LEU 271          2HD1      LEU 271   7.562 -13.001  -4.004
  140   3HD1  LEU 271          3HD1      LEU 271   7.647 -11.241  -4.063
  141   1HD2  LEU 271          1HD2      LEU 271   4.952 -12.291  -5.565
  142   2HD2  LEU 271          2HD2      LEU 271   3.913 -11.326  -4.517
  143   3HD2  LEU 271          3HD2      LEU 271   3.999 -13.074  -4.305
  144    H    LYS 272           H        LYS 272   5.480 -13.372   0.635
  145    HA   LYS 272           HA       LYS 272   5.359 -16.171   0.827
  146   1HB   LYS 272          1HB       LYS 272   5.640 -14.095   3.005
  147   2HB   LYS 272          2HB       LYS 272   5.898 -15.819   3.230
  148   1HG   LYS 272          1HG       LYS 272   7.469 -14.045   1.372
  149   2HG   LYS 272          2HG       LYS 272   7.999 -14.603   2.959
  150   1HD   LYS 272          1HD       LYS 272   7.327 -16.393   0.622
  151   2HD   LYS 272          2HD       LYS 272   8.958 -15.934   1.114
  152   1HE   LYS 272          1HE       LYS 272   6.969 -17.461   2.792
  153   2HE   LYS 272          2HE       LYS 272   8.357 -18.153   1.953
  154   1HZ   LYS 272          1HZ       LYS 272   9.144 -17.857   4.083
  155   2HZ   LYS 272          2HZ       LYS 272   8.307 -16.406   4.323
  156   3HZ   LYS 272          3HZ       LYS 272   9.677 -16.438   3.331
  157    H    GLU 273           H        GLU 273   3.204 -13.656   2.078
  158    HA   GLU 273           HA       GLU 273   1.556 -15.332   3.619
  159   1HB   GLU 273          1HB       GLU 273   0.916 -12.716   2.248
  160   2HB   GLU 273          2HB       GLU 273  -0.109 -13.493   3.447
  161   1HG   GLU 273          1HG       GLU 273   2.720 -12.601   3.948
  162   2HG   GLU 273          2HG       GLU 273   1.286 -11.654   4.344
  163    H    SER 274           H        SER 274   1.074 -14.078   0.318
  164    HA   SER 274           HA       SER 274  -1.326 -15.469  -0.166
  165   1HB   SER 274          1HB       SER 274   0.725 -14.448  -2.145
  166   2HB   SER 274          2HB       SER 274  -0.922 -14.936  -2.542
  167    HG   SER 274           HG       SER 274  -0.391 -12.588  -2.096
  168    H    ARG 275           H        ARG 275   2.038 -16.245  -0.952
  169    HA   ARG 275           HA       ARG 275   3.072 -18.164  -1.583
  170   1HB   ARG 275          1HB       ARG 275   1.952 -18.856   0.613
  171   2HB   ARG 275          2HB       ARG 275   0.738 -19.649  -0.380
  172   1HG   ARG 275          1HG       ARG 275   2.497 -21.030  -1.400
  173   2HG   ARG 275          2HG       ARG 275   3.689 -20.255  -0.355
  174   1HD   ARG 275          1HD       ARG 275   2.512 -21.092   1.615
  175   2HD   ARG 275          2HD       ARG 275   1.308 -21.855   0.577
  176    HE   ARG 275           HE       ARG 275   2.734 -23.614   0.404
  177   1HH1  ARG 275          1HH1      ARG 275   4.638 -20.753   1.004
  178   2HH1  ARG 275          2HH1      ARG 275   6.145 -21.605   1.015
  179   1HH2  ARG 275          1HH2      ARG 275   4.714 -24.739   0.422
  180   2HH2  ARG 275          2HH2      ARG 275   6.188 -23.870   0.687
  181    H    ASN 276           H        ASN 276   1.075 -20.616  -2.058
  182    HA   ASN 276           HA       ASN 276   1.061 -20.331  -4.889
  183   1HB   ASN 276          1HB       ASN 276  -0.296 -22.381  -3.126
  184   2HB   ASN 276          2HB       ASN 276  -0.130 -22.501  -4.874
  185   1HD2  ASN 276          1HD2      ASN 276   2.611 -21.027  -3.893
  186   2HD2  ASN 276          2HD2      ASN 276   3.628 -22.404  -3.671
  187    H    SER 277           H        SER 277  -1.570 -20.541  -2.492
  188    HA   SER 277           HA       SER 277  -3.144 -18.523  -3.614
  189   1HB   SER 277          1HB       SER 277  -3.382 -20.081  -5.517
  190   2HB   SER 277          2HB       SER 277  -4.028 -21.306  -4.425
  191    HG   SER 277           HG       SER 277  -5.889 -20.302  -4.392
  192    H    ALA 278           H        ALA 278  -2.418 -19.212  -1.057
  193    HA   ALA 278           HA       ALA 278  -4.247 -20.772   0.380
  194   1HB   ALA 278          1HB       ALA 278  -3.515 -19.178   2.310
  195   2HB   ALA 278          2HB       ALA 278  -2.366 -18.571   1.117
  196   3HB   ALA 278          3HB       ALA 278  -2.342 -20.273   1.580
  197   1H    MET   1          1H        MET   1 -15.063  -0.259   3.588
  198   2H    MET   1          2H        MET   1 -16.219  -1.492   3.533
  199   3H    MET   1          3H        MET   1 -15.163  -1.266   2.232
  200    HA   MET   1           HA       MET   1 -14.790  -2.732   4.657
  201   1HB   MET   1          1HB       MET   1 -14.616  -3.650   2.387
  202   2HB   MET   1          2HB       MET   1 -13.288  -2.554   2.035
  203   1HG   MET   1          1HG       MET   1 -11.914  -3.649   3.712
  204   2HG   MET   1          2HG       MET   1 -13.251  -4.723   4.121
  205   1HE   MET   1          1HE       MET   1 -11.908  -4.405  -0.132
  206   2HE   MET   1          2HE       MET   1 -10.450  -4.304   0.855
  207   3HE   MET   1          3HE       MET   1 -11.774  -3.169   1.119
  208    H    GLN   2           H        GLN   2 -13.266  -2.521   6.185
  209    HA   GLN   2           HA       GLN   2 -11.652  -0.114   6.188
  210   1HB   GLN   2          1HB       GLN   2 -11.098  -0.756   8.500
  211   2HB   GLN   2          2HB       GLN   2 -12.834  -0.716   8.224
  212   1HG   GLN   2          1HG       GLN   2 -12.841  -3.156   7.993
  213   2HG   GLN   2          2HG       GLN   2 -11.107  -3.179   8.310
  214   1HE2  GLN   2          1HE2      GLN   2 -10.590  -3.664  10.308
  215   2HE2  GLN   2          2HE2      GLN   2 -11.537  -3.350  11.718
  216    H    ILE   3           H        ILE   3  -9.408  -0.031   6.322
  217    HA   ILE   3           HA       ILE   3  -7.906  -2.518   6.032
  218    HB   ILE   3           HB       ILE   3  -6.604  -1.643   4.129
  219   1HG1  ILE   3          1HG1      ILE   3  -8.742   0.495   3.987
  220   2HG1  ILE   3          2HG1      ILE   3  -7.087   0.760   4.524
  221   1HG2  ILE   3          1HG2      ILE   3  -8.666  -1.718   2.473
  222   2HG2  ILE   3          2HG2      ILE   3  -9.506  -2.241   3.933
  223   3HG2  ILE   3          3HG2      ILE   3  -8.117  -3.153   3.339
  224   1HD1  ILE   3          1HD1      ILE   3  -6.237   0.627   2.414
  225   2HD1  ILE   3          2HD1      ILE   3  -7.834   1.289   2.067
  226   3HD1  ILE   3          3HD1      ILE   3  -7.525  -0.432   1.840
  227    H    PHE   4           H        PHE   4  -5.852  -2.430   6.847
  228    HA   PHE   4           HA       PHE   4  -5.173   0.034   8.277
  229   1HB   PHE   4          1HB       PHE   4  -4.499  -2.846   8.665
  230   2HB   PHE   4          2HB       PHE   4  -3.374  -1.634   9.263
  231    HD1  PHE   4           HD1      PHE   4  -6.936  -2.689   9.454
  232    HD2  PHE   4           HD2      PHE   4  -3.714  -0.610  11.296
  233    HE1  PHE   4           HE1      PHE   4  -8.281  -2.418  11.499
  234    HE2  PHE   4           HE2      PHE   4  -5.047  -0.333  13.340
  235    HZ   PHE   4           HZ       PHE   4  -7.335  -1.242  13.447
  236    H    VAL   5           H        VAL   5  -3.499   1.272   7.754
  237    HA   VAL   5           HA       VAL   5  -1.810   0.479   5.515
  238    HB   VAL   5           HB       VAL   5  -1.964   3.110   7.008
  239   1HG1  VAL   5          1HG1      VAL   5  -0.447   4.018   5.513
  240   2HG1  VAL   5          2HG1      VAL   5  -0.692   2.737   4.326
  241   3HG1  VAL   5          3HG1      VAL   5   0.223   2.412   5.798
  242   1HG2  VAL   5          1HG2      VAL   5  -3.142   2.215   4.384
  243   2HG2  VAL   5          2HG2      VAL   5  -3.031   3.902   4.883
  244   3HG2  VAL   5          3HG2      VAL   5  -4.004   2.768   5.820
  245    H    LYS   6           H        LYS   6   0.018  -0.583   5.950
  246    HA   LYS   6           HA       LYS   6   1.257  -0.250   8.582
  247   1HB   LYS   6          1HB       LYS   6   0.707  -2.538   7.906
  248   2HB   LYS   6          2HB       LYS   6   1.705  -2.364   6.469
  249   1HG   LYS   6          1HG       LYS   6   3.690  -2.125   7.849
  250   2HG   LYS   6          2HG       LYS   6   2.703  -2.233   9.307
  251   1HD   LYS   6          1HD       LYS   6   2.006  -4.497   8.645
  252   2HD   LYS   6          2HD       LYS   6   3.040  -4.385   7.219
  253   1HE   LYS   6          1HE       LYS   6   4.140  -5.633   9.002
  254   2HE   LYS   6          2HE       LYS   6   4.999  -4.133   8.657
  255   1HZ   LYS   6          1HZ       LYS   6   4.306  -4.932  11.110
  256   2HZ   LYS   6          2HZ       LYS   6   2.984  -3.949  10.728
  257   3HZ   LYS   6          3HZ       LYS   6   4.551  -3.313  10.682
  258    H    THR   7           H        THR   7   3.186   0.642   8.875
  259    HA   THR   7           HA       THR   7   4.618   1.652   6.524
  260    HB   THR   7           HB       THR   7   5.762   3.173   8.073
  261    HG1  THR   7           HG1      THR   7   5.464   1.610   9.909
  262   1HG2  THR   7          1HG2      THR   7   3.292   3.991   9.076
  263   2HG2  THR   7          2HG2      THR   7   2.914   3.141   7.577
  264   3HG2  THR   7          3HG2      THR   7   4.040   4.498   7.562
  265    H    LEU   8           H        LEU   8   6.858   1.355   6.286
  266    HA   LEU   8           HA       LEU   8   7.888  -1.141   6.859
  267   1HB   LEU   8          1HB       LEU   8   9.185   1.465   6.150
  268   2HB   LEU   8          2HB       LEU   8  10.174   0.069   6.527
  269    HG   LEU   8           HG       LEU   8   9.874   0.346   4.112
  270   1HD1  LEU   8          1HD1      LEU   8  10.172  -1.848   4.125
  271   2HD1  LEU   8          2HD1      LEU   8   8.419  -2.032   4.074
  272   3HD1  LEU   8          3HD1      LEU   8   9.259  -2.021   5.625
  273   1HD2  LEU   8          1HD2      LEU   8   6.952  -0.199   4.599
  274   2HD2  LEU   8          2HD2      LEU   8   7.742   0.084   3.049
  275   3HD2  LEU   8          3HD2      LEU   8   7.624   1.389   4.229
  276    H    THR   9           H        THR   9   8.039   1.798   8.771
  277    HA   THR   9           HA       THR   9  10.006   1.001  10.609
  278    HB   THR   9           HB       THR   9   9.054   2.686  12.128
  279    HG1  THR   9           HG1      THR   9   7.114   3.632  11.703
  280   1HG2  THR   9          1HG2      THR   9   9.522   4.579  10.803
  281   2HG2  THR   9          2HG2      THR   9   8.960   3.789   9.330
  282   3HG2  THR   9          3HG2      THR   9  10.467   3.274  10.086
  283    H    GLY  10           H        GLY  10   6.447   0.746  10.798
  284   1HA   GLY  10          1HA       GLY  10   5.846  -1.596  11.675
  285   2HA   GLY  10          2HA       GLY  10   6.792  -1.098  13.068
  286    H    LYS  11           H        LYS  11   4.190   0.328  11.062
  287    HA   LYS  11           HA       LYS  11   2.536   0.582  13.440
  288   1HB   LYS  11          1HB       LYS  11   3.924   2.644  13.381
  289   2HB   LYS  11          2HB       LYS  11   3.276   3.004  11.788
  290   1HG   LYS  11          1HG       LYS  11   2.127   4.315  13.440
  291   2HG   LYS  11          2HG       LYS  11   1.014   3.124  12.765
  292   1HD   LYS  11          1HD       LYS  11   1.402   1.685  14.722
  293   2HD   LYS  11          2HD       LYS  11   2.478   2.912  15.395
  294   1HE   LYS  11          1HE       LYS  11   0.261   3.055  16.396
  295   2HE   LYS  11          2HE       LYS  11   0.627   4.505  15.462
  296   1HZ   LYS  11          1HZ       LYS  11  -1.522   2.700  15.159
  297   2HZ   LYS  11          2HZ       LYS  11  -0.614   2.729  13.732
  298   3HZ   LYS  11          3HZ       LYS  11  -1.246   4.166  14.359
  299    H    THR  12           H        THR  12   0.479   0.181  12.972
  300    HA   THR  12           HA       THR  12  -0.397   0.372  10.170
  301    HB   THR  12           HB       THR  12  -2.045  -1.388  10.745
  302    HG1  THR  12           HG1      THR  12  -1.237  -2.564  12.805
  303   1HG2  THR  12          1HG2      THR  12   0.659  -1.677  10.199
  304   2HG2  THR  12          2HG2      THR  12  -0.581  -2.920  10.034
  305   3HG2  THR  12          3HG2      THR  12   0.361  -2.805  11.521
  306    H    ILE  13           H        ILE  13  -2.255   1.482   9.712
  307    HA   ILE  13           HA       ILE  13  -3.851   2.432  11.997
  308    HB   ILE  13           HB       ILE  13  -2.852   4.158   9.737
  309   1HG1  ILE  13          1HG1      ILE  13  -2.430   4.279  12.733
  310   2HG1  ILE  13          2HG1      ILE  13  -1.233   3.772  11.547
  311   1HG2  ILE  13          1HG2      ILE  13  -4.097   5.897  11.336
  312   2HG2  ILE  13          2HG2      ILE  13  -5.107   4.480  11.629
  313   3HG2  ILE  13          3HG2      ILE  13  -4.905   5.094   9.988
  314   1HD1  ILE  13          1HD1      ILE  13  -1.736   6.174  10.565
  315   2HD1  ILE  13          2HD1      ILE  13  -0.570   5.913  11.863
  316   3HD1  ILE  13          3HD1      ILE  13  -2.197   6.480  12.240
  317    H    THR  14           H        THR  14  -5.996   2.478  11.736
  318    HA   THR  14           HA       THR  14  -7.214   1.032   9.653
  319    HB   THR  14           HB       THR  14  -8.590   2.995  11.495
  320    HG1  THR  14           HG1      THR  14  -8.434   1.539  13.050
  321   1HG2  THR  14          1HG2      THR  14  -9.840   2.000   9.516
  322   2HG2  THR  14          2HG2      THR  14 -10.563   1.753  11.106
  323   3HG2  THR  14          3HG2      THR  14  -9.676   0.442  10.326
  324    H    LEU  15           H        LEU  15  -8.437   1.662   7.895
  325    HA   LEU  15           HA       LEU  15  -8.879   4.457   7.320
  326   1HB   LEU  15          1HB       LEU  15  -6.491   3.794   6.561
  327   2HB   LEU  15          2HB       LEU  15  -7.300   2.893   5.294
  328    HG   LEU  15           HG       LEU  15  -6.533   5.075   4.499
  329   1HD1  LEU  15          1HD1      LEU  15  -9.527   4.805   4.675
  330   2HD1  LEU  15          2HD1      LEU  15  -8.471   4.179   3.409
  331   3HD1  LEU  15          3HD1      LEU  15  -8.682   5.920   3.601
  332   1HD2  LEU  15          1HD2      LEU  15  -8.338   6.161   6.652
  333   2HD2  LEU  15          2HD2      LEU  15  -7.651   7.127   5.346
  334   3HD2  LEU  15          3HD2      LEU  15  -6.590   6.354   6.523
  335    H    GLU  16           H        GLU  16 -10.916   4.468   6.691
  336    HA   GLU  16           HA       GLU  16 -12.218   2.138   5.669
  337   1HB   GLU  16          1HB       GLU  16 -13.339   3.792   7.138
  338   2HB   GLU  16          2HB       GLU  16 -13.244   4.977   5.846
  339   1HG   GLU  16          1HG       GLU  16 -14.629   2.357   5.435
  340   2HG   GLU  16          2HG       GLU  16 -15.443   3.711   6.214
  341    H    VAL  17           H        VAL  17 -12.720   1.592   3.641
  342    HA   VAL  17           HA       VAL  17 -12.534   3.528   1.480
  343    HB   VAL  17           HB       VAL  17 -11.070   2.053   0.113
  344   1HG1  VAL  17          1HG1      VAL  17  -8.946   2.542   1.507
  345   2HG1  VAL  17          2HG1      VAL  17 -10.061   3.335   2.620
  346   3HG1  VAL  17          3HG1      VAL  17  -9.935   3.892   0.951
  347   1HG2  VAL  17          1HG2      VAL  17  -9.615   0.454   1.480
  348   2HG2  VAL  17          2HG2      VAL  17 -11.255  -0.067   1.089
  349   3HG2  VAL  17          3HG2      VAL  17 -10.884   0.545   2.701
  350    H    GLU  18           H        GLU  18 -14.057   3.168  -0.004
  351    HA   GLU  18           HA       GLU  18 -15.683   0.771   0.220
  352   1HB   GLU  18          1HB       GLU  18 -16.023   3.237  -1.496
  353   2HB   GLU  18          2HB       GLU  18 -17.189   1.927  -1.366
  354   1HG   GLU  18          1HG       GLU  18 -17.466   2.410   1.014
  355   2HG   GLU  18          2HG       GLU  18 -16.302   3.727   0.878
  356    H    SER  19           H        SER  19 -15.924  -0.780  -1.341
  357    HA   SER  19           HA       SER  19 -13.790  -1.426  -2.981
  358   1HB   SER  19          1HB       SER  19 -15.303  -3.054  -4.052
  359   2HB   SER  19          2HB       SER  19 -15.492  -3.057  -2.299
  360    HG   SER  19           HG       SER  19 -17.355  -1.788  -2.555
  361    H    SER  20           H        SER  20 -16.735   0.367  -3.749
  362    HA   SER  20           HA       SER  20 -16.413   0.528  -6.523
  363   1HB   SER  20          1HB       SER  20 -17.690   2.533  -4.646
  364   2HB   SER  20          2HB       SER  20 -17.902   2.497  -6.397
  365    HG   SER  20           HG       SER  20 -18.433   0.074  -5.497
  366    H    ASP  21           H        ASP  21 -15.256   2.679  -3.946
  367    HA   ASP  21           HA       ASP  21 -14.126   4.658  -5.557
  368   1HB   ASP  21          1HB       ASP  21 -13.319   3.682  -2.812
  369   2HB   ASP  21          2HB       ASP  21 -12.664   5.131  -3.569
  370    H    THR  22           H        THR  22 -12.231   4.880  -6.618
  371    HA   THR  22           HA       THR  22 -10.744   2.489  -7.205
  372    HB   THR  22           HB       THR  22  -9.444   3.911  -8.739
  373    HG1  THR  22           HG1      THR  22 -11.008   5.996  -7.585
  374   1HG2  THR  22          1HG2      THR  22 -12.286   3.481  -8.818
  375   2HG2  THR  22          2HG2      THR  22 -11.116   3.445 -10.137
  376   3HG2  THR  22          3HG2      THR  22 -11.872   4.969  -9.670
  377    H    ILE  23           H        ILE  23  -8.181   3.685  -7.624
  378    HA   ILE  23           HA       ILE  23  -7.096   3.363  -4.983
  379    HB   ILE  23           HB       ILE  23  -5.670   4.126  -7.535
  380   1HG1  ILE  23          1HG1      ILE  23  -6.794   1.957  -7.748
  381   2HG1  ILE  23          2HG1      ILE  23  -5.049   1.748  -7.668
  382   1HG2  ILE  23          1HG2      ILE  23  -3.889   4.422  -6.247
  383   2HG2  ILE  23          2HG2      ILE  23  -3.991   2.729  -5.763
  384   3HG2  ILE  23          3HG2      ILE  23  -4.809   3.968  -4.812
  385   1HD1  ILE  23          1HD1      ILE  23  -6.356   0.089  -6.361
  386   2HD1  ILE  23          2HD1      ILE  23  -6.890   1.405  -5.315
  387   3HD1  ILE  23          3HD1      ILE  23  -5.178   0.993  -5.410
  388    H    ASP  24           H        ASP  24  -7.453   6.008  -7.299
  389    HA   ASP  24           HA       ASP  24  -5.988   7.971  -5.973
  390   1HB   ASP  24          1HB       ASP  24  -6.841   8.276  -8.247
  391   2HB   ASP  24          2HB       ASP  24  -8.495   8.288  -7.641
  392    H    ASN  25           H        ASN  25  -9.354   6.978  -5.586
  393    HA   ASN  25           HA       ASN  25 -10.174   8.952  -3.782
  394   1HB   ASN  25          1HB       ASN  25 -11.083   6.075  -4.031
  395   2HB   ASN  25          2HB       ASN  25 -11.938   7.322  -3.134
  396   1HD2  ASN  25          1HD2      ASN  25 -10.642   8.912  -5.659
  397   2HD2  ASN  25          2HD2      ASN  25 -11.939   8.787  -6.791
  398    H    VAL  26           H        VAL  26  -8.776   5.740  -3.196
  399    HA   VAL  26           HA       VAL  26  -8.825   5.842  -0.389
  400    HB   VAL  26           HB       VAL  26  -6.841   4.391  -2.151
  401   1HG1  VAL  26          1HG1      VAL  26  -7.575   4.093   0.751
  402   2HG1  VAL  26          2HG1      VAL  26  -5.987   4.417   0.055
  403   3HG1  VAL  26          3HG1      VAL  26  -6.741   2.837  -0.164
  404   1HG2  VAL  26          1HG2      VAL  26  -9.444   3.403  -0.989
  405   2HG2  VAL  26          2HG2      VAL  26  -8.318   2.476  -1.979
  406   3HG2  VAL  26          3HG2      VAL  26  -9.185   3.844  -2.677
  407    H    LYS  27           H        LYS  27  -6.464   6.941  -2.759
  408    HA   LYS  27           HA       LYS  27  -4.391   7.590  -0.985
  409   1HB   LYS  27          1HB       LYS  27  -5.114   8.627  -3.718
  410   2HB   LYS  27          2HB       LYS  27  -3.686   9.178  -2.852
  411   1HG   LYS  27          1HG       LYS  27  -4.258   6.310  -3.575
  412   2HG   LYS  27          2HG       LYS  27  -3.208   7.398  -4.488
  413   1HD   LYS  27          1HD       LYS  27  -1.796   7.673  -2.482
  414   2HD   LYS  27          2HD       LYS  27  -2.825   6.525  -1.622
  415   1HE   LYS  27          1HE       LYS  27  -2.239   4.779  -3.204
  416   2HE   LYS  27          2HE       LYS  27  -1.265   5.920  -4.132
  417   1HZ   LYS  27          1HZ       LYS  27   0.146   4.610  -2.720
  418   2HZ   LYS  27          2HZ       LYS  27  -0.754   5.021  -1.348
  419   3HZ   LYS  27          3HZ       LYS  27   0.145   6.204  -2.155
  420    H    SER  28           H        SER  28  -7.095   9.542  -2.211
  421    HA   SER  28           HA       SER  28  -6.300  11.961  -1.014
  422   1HB   SER  28          1HB       SER  28  -8.623  12.690  -1.335
  423   2HB   SER  28          2HB       SER  28  -8.029  11.851  -2.768
  424    HG   SER  28           HG       SER  28  -9.804  10.904  -0.784
  425    H    LYS  29           H        LYS  29  -8.365   9.321   0.137
  426    HA   LYS  29           HA       LYS  29  -9.134  10.501   2.575
  427   1HB   LYS  29          1HB       LYS  29  -8.768   7.568   1.928
  428   2HB   LYS  29          2HB       LYS  29  -9.666   8.209   3.296
  429   1HG   LYS  29          1HG       LYS  29 -11.255   9.257   1.768
  430   2HG   LYS  29          2HG       LYS  29 -10.349   8.623   0.391
  431   1HD   LYS  29          1HD       LYS  29 -10.780   6.338   1.182
  432   2HD   LYS  29          2HD       LYS  29 -11.711   6.987   2.532
  433   1HE   LYS  29          1HE       LYS  29 -13.300   7.980   0.972
  434   2HE   LYS  29          2HE       LYS  29 -12.356   7.375  -0.389
  435   1HZ   LYS  29          1HZ       LYS  29 -13.526   5.515  -0.278
  436   2HZ   LYS  29          2HZ       LYS  29 -14.344   6.047   1.103
  437   3HZ   LYS  29          3HZ       LYS  29 -12.887   5.203   1.257
  438    H    ILE  30           H        ILE  30  -6.449   8.305   1.798
  439    HA   ILE  30           HA       ILE  30  -5.392   8.145   4.403
  440    HB   ILE  30           HB       ILE  30  -3.993   7.783   1.744
  441   1HG1  ILE  30          1HG1      ILE  30  -5.147   5.751   3.671
  442   2HG1  ILE  30          2HG1      ILE  30  -5.901   6.252   2.162
  443   1HG2  ILE  30          1HG2      ILE  30  -2.281   6.575   2.996
  444   2HG2  ILE  30          2HG2      ILE  30  -3.110   6.950   4.506
  445   3HG2  ILE  30          3HG2      ILE  30  -2.403   8.247   3.544
  446   1HD1  ILE  30          1HD1      ILE  30  -3.196   5.385   1.711
  447   2HD1  ILE  30          2HD1      ILE  30  -4.702   4.795   1.008
  448   3HD1  ILE  30          3HD1      ILE  30  -4.132   4.145   2.546
  449    H    GLN  31           H        GLN  31  -4.769  10.356   1.727
  450    HA   GLN  31           HA       GLN  31  -2.536  11.664   2.798
  451   1HB   GLN  31          1HB       GLN  31  -3.301  11.872   0.447
  452   2HB   GLN  31          2HB       GLN  31  -4.680  12.811   0.997
  453   1HG   GLN  31          1HG       GLN  31  -1.961  13.750   1.729
  454   2HG   GLN  31          2HG       GLN  31  -2.495  13.948   0.063
  455   1HE2  GLN  31          1HE2      GLN  31  -3.449  15.786  -0.374
  456   2HE2  GLN  31          2HE2      GLN  31  -4.287  16.800   0.746
  457    H    ASP  32           H        ASP  32  -6.002  12.321   3.124
  458    HA   ASP  32           HA       ASP  32  -5.734  14.691   4.628
  459   1HB   ASP  32          1HB       ASP  32  -7.818  14.058   3.491
  460   2HB   ASP  32          2HB       ASP  32  -8.015  12.703   4.597
  461    H    LYS  33           H        LYS  33  -6.234  11.312   5.654
  462    HA   LYS  33           HA       LYS  33  -6.215  11.967   8.436
  463   1HB   LYS  33          1HB       LYS  33  -7.367   9.978   7.522
  464   2HB   LYS  33          2HB       LYS  33  -5.807   9.285   7.105
  465   1HG   LYS  33          1HG       LYS  33  -5.188   9.192   9.446
  466   2HG   LYS  33          2HG       LYS  33  -6.708   9.965   9.897
  467   1HD   LYS  33          1HD       LYS  33  -6.463   7.307   8.489
  468   2HD   LYS  33          2HD       LYS  33  -6.745   7.515  10.218
  469   1HE   LYS  33          1HE       LYS  33  -8.838   8.688   9.733
  470   2HE   LYS  33          2HE       LYS  33  -8.554   8.483   8.005
  471   1HZ   LYS  33          1HZ       LYS  33  -9.483   6.492   8.108
  472   2HZ   LYS  33          2HZ       LYS  33  -9.816   6.720   9.750
  473   3HZ   LYS  33          3HZ       LYS  33  -8.370   5.981   9.275
  474    H    GLU  34           H        GLU  34  -3.934   9.938   6.598
  475    HA   GLU  34           HA       GLU  34  -1.928   9.964   8.550
  476   1HB   GLU  34          1HB       GLU  34  -1.700   9.500   5.574
  477   2HB   GLU  34          2HB       GLU  34  -0.441   9.134   6.745
  478   1HG   GLU  34          1HG       GLU  34  -3.189   7.904   6.717
  479   2HG   GLU  34          2HG       GLU  34  -1.732   7.157   6.065
  480    H    GLY  35           H        GLY  35  -2.529  12.137   5.840
  481   1HA   GLY  35          1HA       GLY  35  -1.756  14.318   5.585
  482   2HA   GLY  35          2HA       GLY  35  -0.769  14.104   7.026
  483    H    ILE  36           H        ILE  36  -0.887  12.281   3.987
  484    HA   ILE  36           HA       ILE  36   1.850  13.137   3.373
  485    HB   ILE  36           HB       ILE  36   0.928  10.260   3.452
  486   1HG1  ILE  36          1HG1      ILE  36   3.084  11.672   5.039
  487   2HG1  ILE  36          2HG1      ILE  36   1.490  11.254   5.657
  488   1HG2  ILE  36          1HG2      ILE  36   3.483   9.961   2.956
  489   2HG2  ILE  36          2HG2      ILE  36   3.319  11.567   2.251
  490   3HG2  ILE  36          3HG2      ILE  36   2.337  10.234   1.644
  491   1HD1  ILE  36          1HD1      ILE  36   3.321   9.699   6.317
  492   2HD1  ILE  36          2HD1      ILE  36   3.458   9.232   4.622
  493   3HD1  ILE  36          3HD1      ILE  36   1.960   8.929   5.503
  494    HA   PRO  37           HA       PRO  37   0.106  13.740  -0.675
  495   1HB   PRO  37          1HB       PRO  37   2.870  13.136  -1.591
  496   2HB   PRO  37          2HB       PRO  37   1.849  14.535  -1.942
  497   1HG   PRO  37          1HG       PRO  37   3.892  14.733  -0.244
  498   2HG   PRO  37          2HG       PRO  37   2.364  15.580   0.064
  499   1HD   PRO  37          1HD       PRO  37   3.437  13.086   1.310
  500   2HD   PRO  37          2HD       PRO  37   2.515  14.410   2.051
  501    HA   PRO  38           HA       PRO  38  -0.778   9.553  -1.905
  502   1HB   PRO  38          1HB       PRO  38  -1.661  10.151  -4.457
  503   2HB   PRO  38          2HB       PRO  38  -2.655  10.226  -3.000
  504   1HG   PRO  38          1HG       PRO  38  -1.246  12.427  -4.451
  505   2HG   PRO  38          2HG       PRO  38  -2.852  12.426  -3.698
  506   1HD   PRO  38          1HD       PRO  38  -0.753  13.583  -2.504
  507   2HD   PRO  38          2HD       PRO  38  -1.989  12.718  -1.564
  508    H    ASP  39           H        ASP  39   0.899  11.674  -4.217
  509    HA   ASP  39           HA       ASP  39   1.953   9.683  -5.864
  510   1HB   ASP  39          1HB       ASP  39   3.119  12.393  -5.196
  511   2HB   ASP  39          2HB       ASP  39   3.609  11.383  -6.553
  512    H    GLN  40           H        GLN  40   3.356  11.214  -2.980
  513    HA   GLN  40           HA       GLN  40   5.828   9.874  -3.088
  514   1HB   GLN  40          1HB       GLN  40   4.354  11.038  -0.723
  515   2HB   GLN  40          2HB       GLN  40   6.032  10.514  -0.695
  516   1HG   GLN  40          1HG       GLN  40   6.588  12.182  -2.382
  517   2HG   GLN  40          2HG       GLN  40   4.905  12.702  -2.427
  518   1HE2  GLN  40          1HE2      GLN  40   5.493  11.883   0.690
  519   2HE2  GLN  40          2HE2      GLN  40   5.953  13.423   1.317
  520    H    GLN  41           H        GLN  41   2.979   9.188  -1.037
  521    HA   GLN  41           HA       GLN  41   4.025   6.819   0.063
  522   1HB   GLN  41          1HB       GLN  41   1.675   6.329   0.707
  523   2HB   GLN  41          2HB       GLN  41   2.195   7.950   1.145
  524   1HG   GLN  41          1HG       GLN  41   1.018   8.865  -0.773
  525   2HG   GLN  41          2HG       GLN  41   0.526   7.243  -1.257
  526   1HE2  GLN  41          1HE2      GLN  41  -0.556   9.952   0.143
  527   2HE2  GLN  41          2HE2      GLN  41  -1.784   9.305   1.172
  528    H    ARG  42           H        ARG  42   4.222   4.820  -0.700
  529    HA   ARG  42           HA       ARG  42   2.899   4.174  -3.253
  530   1HB   ARG  42          1HB       ARG  42   5.462   3.088  -2.075
  531   2HB   ARG  42          2HB       ARG  42   4.737   2.534  -3.576
  532   1HG   ARG  42          1HG       ARG  42   5.611   5.374  -3.102
  533   2HG   ARG  42          2HG       ARG  42   6.638   4.139  -3.829
  534   1HD   ARG  42          1HD       ARG  42   5.635   5.439  -5.580
  535   2HD   ARG  42          2HD       ARG  42   4.930   3.825  -5.598
  536    HE   ARG  42           HE       ARG  42   3.303   5.492  -4.044
  537   1HH1  ARG  42          1HH1      ARG  42   4.282   5.082  -7.362
  538   2HH1  ARG  42          2HH1      ARG  42   2.808   5.719  -8.011
  539   1HH2  ARG  42          1HH2      ARG  42   1.357   6.333  -4.889
  540   2HH2  ARG  42          2HH2      ARG  42   1.146   6.431  -6.605
  541    H    LEU  43           H        LEU  43   1.421   2.607  -3.261
  542    HA   LEU  43           HA       LEU  43   1.025   1.026  -0.849
  543   1HB   LEU  43          1HB       LEU  43  -0.632   1.283  -3.358
  544   2HB   LEU  43          2HB       LEU  43  -1.071   0.301  -1.973
  545    HG   LEU  43           HG       LEU  43  -0.755   3.304  -1.962
  546   1HD1  LEU  43          1HD1      LEU  43  -3.223   1.579  -1.813
  547   2HD1  LEU  43          2HD1      LEU  43  -2.729   2.563  -3.190
  548   3HD1  LEU  43          3HD1      LEU  43  -3.176   3.336  -1.670
  549   1HD2  LEU  43          1HD2      LEU  43  -1.317   3.305   0.288
  550   2HD2  LEU  43          2HD2      LEU  43  -0.221   1.928   0.164
  551   3HD2  LEU  43          3HD2      LEU  43  -1.964   1.664   0.231
  552    H    ILE  44           H        ILE  44   1.371  -1.104  -0.662
  553    HA   ILE  44           HA       ILE  44   2.022  -2.658  -3.068
  554    HB   ILE  44           HB       ILE  44   3.635  -2.707  -0.513
  555   1HG1  ILE  44          1HG1      ILE  44   4.395  -1.783  -3.293
  556   2HG1  ILE  44          2HG1      ILE  44   4.088  -0.730  -1.916
  557   1HG2  ILE  44          1HG2      ILE  44   4.585  -4.620  -1.174
  558   2HG2  ILE  44          2HG2      ILE  44   4.695  -4.090  -2.852
  559   3HG2  ILE  44          3HG2      ILE  44   3.193  -4.784  -2.243
  560   1HD1  ILE  44          1HD1      ILE  44   6.294  -2.768  -2.101
  561   2HD1  ILE  44          2HD1      ILE  44   5.998  -1.672  -0.751
  562   3HD1  ILE  44          3HD1      ILE  44   6.471  -1.027  -2.323
  563    H    PHE  45           H        PHE  45   1.183  -4.679  -3.093
  564    HA   PHE  45           HA       PHE  45   0.480  -6.095  -0.704
  565   1HB   PHE  45          1HB       PHE  45  -1.391  -4.477  -0.850
  566   2HB   PHE  45          2HB       PHE  45  -1.774  -5.090  -2.454
  567    HD1  PHE  45           HD1      PHE  45  -0.876  -6.914   0.668
  568    HD2  PHE  45           HD2      PHE  45  -3.839  -6.100  -2.277
  569    HE1  PHE  45           HE1      PHE  45  -2.341  -8.614   1.677
  570    HE2  PHE  45           HE2      PHE  45  -5.309  -7.799  -1.274
  571    HZ   PHE  45           HZ       PHE  45  -4.561  -9.058   0.707
  572    H    ALA  46           H        ALA  46   0.255  -8.249  -1.069
  573    HA   ALA  46           HA       ALA  46   0.523 -10.230  -2.159
  574   1HB   ALA  46          1HB       ALA  46  -0.852 -10.282  -4.401
  575   2HB   ALA  46          2HB       ALA  46  -1.476  -8.749  -3.795
  576   3HB   ALA  46          3HB       ALA  46  -1.665 -10.218  -2.838
  577    H    GLY  47           H        GLY  47   2.620  -8.401  -2.547
  578   1HA   GLY  47          1HA       GLY  47   4.481  -8.077  -3.849
  579   2HA   GLY  47          2HA       GLY  47   4.045  -9.590  -4.633
  580    H    LYS  48           H        LYS  48   2.131  -6.627  -4.581
  581    HA   LYS  48           HA       LYS  48   2.824  -6.057  -7.355
  582   1HB   LYS  48          1HB       LYS  48  -0.011  -6.610  -6.457
  583   2HB   LYS  48          2HB       LYS  48   0.447  -5.982  -8.033
  584   1HG   LYS  48          1HG       LYS  48   1.623  -8.032  -8.547
  585   2HG   LYS  48          2HG       LYS  48   1.277  -8.659  -6.935
  586   1HD   LYS  48          1HD       LYS  48  -0.261  -9.611  -8.554
  587   2HD   LYS  48          2HD       LYS  48  -1.130  -8.564  -7.431
  588   1HE   LYS  48          1HE       LYS  48  -1.907  -8.197  -9.700
  589   2HE   LYS  48          2HE       LYS  48  -1.082  -6.761  -9.095
  590   1HZ   LYS  48          1HZ       LYS  48   0.367  -6.879 -10.748
  591   2HZ   LYS  48          2HZ       LYS  48  -0.548  -8.127 -11.429
  592   3HZ   LYS  48          3HZ       LYS  48   0.744  -8.492 -10.401
  593    H    GLN  49           H        GLN  49   2.878  -3.942  -7.752
  594    HA   GLN  49           HA       GLN  49   2.309  -2.078  -5.642
  595   1HB   GLN  49          1HB       GLN  49   3.196  -1.642  -8.502
  596   2HB   GLN  49          2HB       GLN  49   3.113  -0.386  -7.275
  597   1HG   GLN  49          1HG       GLN  49   4.818  -2.845  -7.019
  598   2HG   GLN  49          2HG       GLN  49   5.388  -1.327  -7.705
  599   1HE2  GLN  49          1HE2      GLN  49   3.278  -0.325  -5.485
  600   2HE2  GLN  49          2HE2      GLN  49   4.309  -0.179  -4.109
  601    H    LEU  50           H        LEU  50   0.481  -0.949  -5.336
  602    HA   LEU  50           HA       LEU  50  -1.779  -1.388  -7.016
  603   1HB   LEU  50          1HB       LEU  50  -1.295   0.420  -4.664
  604   2HB   LEU  50          2HB       LEU  50  -2.806   0.447  -5.551
  605    HG   LEU  50           HG       LEU  50  -3.122  -1.960  -5.013
  606   1HD1  LEU  50          1HD1      LEU  50  -1.646  -2.591  -2.909
  607   2HD1  LEU  50          2HD1      LEU  50  -0.481  -1.551  -3.730
  608   3HD1  LEU  50          3HD1      LEU  50  -1.137  -2.965  -4.556
  609   1HD2  LEU  50          1HD2      LEU  50  -4.158  -1.470  -3.065
  610   2HD2  LEU  50          2HD2      LEU  50  -3.756   0.179  -3.545
  611   3HD2  LEU  50          3HD2      LEU  50  -2.742  -0.673  -2.380
  612    H    GLU  51           H        GLU  51  -2.566  -0.232  -8.650
  613    HA   GLU  51           HA       GLU  51  -0.996   1.797  -9.870
  614   1HB   GLU  51          1HB       GLU  51  -3.845   0.985 -10.454
  615   2HB   GLU  51          2HB       GLU  51  -2.793   1.911 -11.516
  616   1HG   GLU  51          1HG       GLU  51  -1.283  -0.002 -11.690
  617   2HG   GLU  51          2HG       GLU  51  -2.353  -0.934 -10.643
  618    H    ASP  52           H        ASP  52  -3.344   3.378 -10.735
  619    HA   ASP  52           HA       ASP  52  -4.168   4.798  -8.346
  620   1HB   ASP  52          1HB       ASP  52  -2.498   6.126 -10.494
  621   2HB   ASP  52          2HB       ASP  52  -3.327   6.976  -9.195
  622    H    GLY  53           H        GLY  53  -5.751   3.354 -10.059
  623   1HA   GLY  53          1HA       GLY  53  -7.786   5.137 -10.707
  624   2HA   GLY  53          2HA       GLY  53  -6.866   4.867 -12.179
  625    H    ARG  54           H        ARG  54  -7.718   2.631  -9.549
  626    HA   ARG  54           HA       ARG  54  -9.509   1.178 -11.323
  627   1HB   ARG  54          1HB       ARG  54  -7.047  -0.048 -10.074
  628   2HB   ARG  54          2HB       ARG  54  -8.356  -0.974 -10.787
  629   1HG   ARG  54          1HG       ARG  54  -6.663   1.029 -12.261
  630   2HG   ARG  54          2HG       ARG  54  -6.430  -0.720 -12.292
  631   1HD   ARG  54          1HD       ARG  54  -8.896   0.753 -13.217
  632   2HD   ARG  54          2HD       ARG  54  -7.655   0.065 -14.262
  633    HE   ARG  54           HE       ARG  54  -9.836  -1.310 -13.131
  634   1HH1  ARG  54          1HH1      ARG  54  -6.437  -1.712 -13.805
  635   2HH1  ARG  54          2HH1      ARG  54  -6.532  -3.438 -13.907
  636   1HH2  ARG  54          1HH2      ARG  54  -9.964  -3.579 -13.265
  637   2HH2  ARG  54          2HH2      ARG  54  -8.535  -4.498 -13.603
  638    H    THR  55           H        THR  55 -11.127   0.145 -10.267
  639    HA   THR  55           HA       THR  55 -11.716   0.843  -7.613
  640    HB   THR  55           HB       THR  55 -13.579  -0.759  -7.773
  641    HG1  THR  55           HG1      THR  55 -13.672  -2.227  -9.362
  642   1HG2  THR  55          1HG2      THR  55 -13.445   1.553  -8.999
  643   2HG2  THR  55          2HG2      THR  55 -14.793   0.459  -9.313
  644   3HG2  THR  55          3HG2      THR  55 -13.450   0.556 -10.453
  645    H    LEU  56           H        LEU  56 -11.480  -0.175  -5.689
  646    HA   LEU  56           HA       LEU  56  -9.407  -2.027  -5.329
  647   1HB   LEU  56          1HB       LEU  56 -11.684  -1.344  -3.467
  648   2HB   LEU  56          2HB       LEU  56 -10.234  -2.215  -3.007
  649    HG   LEU  56           HG       LEU  56 -10.356   0.652  -3.947
  650   1HD1  LEU  56          1HD1      LEU  56 -11.182   0.589  -1.752
  651   2HD1  LEU  56          2HD1      LEU  56  -9.479   1.013  -1.585
  652   3HD1  LEU  56          3HD1      LEU  56 -10.013  -0.635  -1.256
  653   1HD2  LEU  56          1HD2      LEU  56  -7.905   0.416  -2.941
  654   2HD2  LEU  56          2HD2      LEU  56  -8.259   0.109  -4.640
  655   3HD2  LEU  56          3HD2      LEU  56  -8.113  -1.239  -3.512
  656    H    SER  57           H        SER  57 -12.855  -2.457  -5.747
  657    HA   SER  57           HA       SER  57 -13.234  -5.023  -4.820
  658   1HB   SER  57          1HB       SER  57 -15.074  -5.192  -6.459
  659   2HB   SER  57          2HB       SER  57 -15.067  -3.626  -5.648
  660    HG   SER  57           HG       SER  57 -15.352  -3.446  -7.922
  661    H    ASP  58           H        ASP  58 -11.763  -3.972  -7.833
  662    HA   ASP  58           HA       ASP  58 -11.653  -6.529  -9.056
  663   1HB   ASP  58          1HB       ASP  58  -9.972  -4.057  -9.524
  664   2HB   ASP  58          2HB       ASP  58  -9.985  -5.476 -10.567
  665    H    TYR  59           H        TYR  59  -9.361  -4.691  -7.076
  666    HA   TYR  59           HA       TYR  59  -7.175  -6.429  -7.309
  667   1HB   TYR  59          1HB       TYR  59  -7.946  -4.541  -5.078
  668   2HB   TYR  59          2HB       TYR  59  -6.412  -5.398  -5.142
  669    HD1  TYR  59           HD1      TYR  59  -4.699  -3.965  -5.670
  670    HD2  TYR  59           HD2      TYR  59  -8.419  -3.508  -7.683
  671    HE1  TYR  59           HE1      TYR  59  -3.734  -2.160  -7.033
  672    HE2  TYR  59           HE2      TYR  59  -7.464  -1.705  -9.052
  673    HH   TYR  59           HH       TYR  59  -5.468   0.008  -8.712
  674    H    ASN  60           H        ASN  60 -10.062  -6.637  -5.391
  675    HA   ASN  60           HA       ASN  60 -10.914  -8.293  -4.083
  676   1HB   ASN  60          1HB       ASN  60  -8.567  -9.889  -5.135
  677   2HB   ASN  60          2HB       ASN  60  -9.900 -10.560  -4.207
  678   1HD2  ASN  60          1HD2      ASN  60 -11.201  -8.176  -6.045
  679   2HD2  ASN  60          2HD2      ASN  60 -11.690  -9.102  -7.417
  680    H    ILE  61           H        ILE  61  -9.396  -6.362  -2.848
  681    HA   ILE  61           HA       ILE  61  -7.397  -7.471  -1.137
  682    HB   ILE  61           HB       ILE  61  -8.941  -4.892  -0.830
  683   1HG1  ILE  61          1HG1      ILE  61  -6.237  -5.424  -2.088
  684   2HG1  ILE  61          2HG1      ILE  61  -7.713  -5.047  -2.969
  685   1HG2  ILE  61          1HG2      ILE  61  -7.995  -5.135   1.238
  686   2HG2  ILE  61          2HG2      ILE  61  -6.661  -4.358   0.386
  687   3HG2  ILE  61          3HG2      ILE  61  -6.652  -6.105   0.632
  688   1HD1  ILE  61          1HD1      ILE  61  -6.890  -2.964  -2.916
  689   2HD1  ILE  61          2HD1      ILE  61  -5.878  -3.284  -1.508
  690   3HD1  ILE  61          3HD1      ILE  61  -7.595  -2.936  -1.300
  691    H    GLN  62           H        GLN  62  -7.583  -8.428   0.797
  692    HA   GLN  62           HA       GLN  62 -10.164  -9.151   1.799
  693   1HB   GLN  62          1HB       GLN  62  -7.386  -9.560   2.916
  694   2HB   GLN  62          2HB       GLN  62  -8.839 -10.175   3.686
  695   1HG   GLN  62          1HG       GLN  62  -7.940 -11.979   2.498
  696   2HG   GLN  62          2HG       GLN  62  -9.301 -11.413   1.534
  697   1HE2  GLN  62          1HE2      GLN  62  -6.148 -12.375   1.443
  698   2HE2  GLN  62          2HE2      GLN  62  -5.687 -11.704  -0.081
  699    H    LYS  63           H        LYS  63 -11.197  -8.462   3.676
  700    HA   LYS  63           HA       LYS  63 -10.850  -5.772   4.414
  701   1HB   LYS  63          1HB       LYS  63 -12.496  -6.192   6.158
  702   2HB   LYS  63          2HB       LYS  63 -12.991  -6.958   4.655
  703   1HG   LYS  63          1HG       LYS  63 -12.201  -9.113   5.497
  704   2HG   LYS  63          2HG       LYS  63 -11.714  -8.337   7.005
  705   1HD   LYS  63          1HD       LYS  63 -14.021  -7.717   7.455
  706   2HD   LYS  63          2HD       LYS  63 -14.529  -8.421   5.919
  707   1HE   LYS  63          1HE       LYS  63 -14.990  -9.921   7.798
  708   2HE   LYS  63          2HE       LYS  63 -13.825 -10.624   6.677
  709   1HZ   LYS  63          1HZ       LYS  63 -12.927  -9.145   9.068
  710   2HZ   LYS  63          2HZ       LYS  63 -12.088 -10.295   8.157
  711   3HZ   LYS  63          3HZ       LYS  63 -13.353 -10.780   9.168
  712    H    GLU  64           H        GLU  64  -9.953  -4.801   6.202
  713    HA   GLU  64           HA       GLU  64  -8.477  -4.450   7.893
  714   1HB   GLU  64          1HB       GLU  64  -8.970  -7.367   8.524
  715   2HB   GLU  64          2HB       GLU  64  -8.197  -6.203   9.591
  716   1HG   GLU  64          1HG       GLU  64 -10.260  -4.914   9.696
  717   2HG   GLU  64          2HG       GLU  64 -11.038  -6.064   8.609
  718    H    SER  65           H        SER  65  -7.502  -5.129   5.315
  719    HA   SER  65           HA       SER  65  -5.209  -6.865   5.744
  720   1HB   SER  65          1HB       SER  65  -6.398  -7.040   3.615
  721   2HB   SER  65          2HB       SER  65  -6.097  -5.333   3.288
  722    HG   SER  65           HG       SER  65  -3.970  -7.121   3.772
  723    H    THR  66           H        THR  66  -3.095  -6.216   5.821
  724    HA   THR  66           HA       THR  66  -2.644  -3.405   6.398
  725    HB   THR  66           HB       THR  66  -0.344  -4.215   7.021
  726    HG1  THR  66           HG1      THR  66  -1.247  -6.438   5.835
  727   1HG2  THR  66          1HG2      THR  66  -2.000  -3.865   8.735
  728   2HG2  THR  66          2HG2      THR  66  -1.110  -5.343   9.098
  729   3HG2  THR  66          3HG2      THR  66  -2.728  -5.437   8.403
  730    H    LEU  67           H        LEU  67  -2.411  -2.217   4.579
  731    HA   LEU  67           HA       LEU  67  -1.007  -3.250   2.272
  732   1HB   LEU  67          1HB       LEU  67  -2.073  -0.473   2.806
  733   2HB   LEU  67          2HB       LEU  67  -1.519  -1.083   1.258
  734    HG   LEU  67           HG       LEU  67  -3.934  -2.072   2.777
  735   1HD1  LEU  67          1HD1      LEU  67  -3.546   0.114   0.956
  736   2HD1  LEU  67          2HD1      LEU  67  -4.996  -0.371   1.834
  737   3HD1  LEU  67          3HD1      LEU  67  -4.640  -1.081   0.260
  738   1HD2  LEU  67          1HD2      LEU  67  -2.576  -2.994   0.281
  739   2HD2  LEU  67          2HD2      LEU  67  -4.327  -3.142   0.436
  740   3HD2  LEU  67          3HD2      LEU  67  -3.268  -3.939   1.599
  741    H    HIS  68           H        HIS  68   1.115  -3.035   1.892
  742    HA   HIS  68           HA       HIS  68   2.789  -1.694   3.785
  743   1HB   HIS  68          1HB       HIS  68   3.423  -2.989   1.129
  744   2HB   HIS  68          2HB       HIS  68   4.637  -2.361   2.238
  745    HD1  HIS  68           HD1      HIS  68   4.175  -3.475   4.834
  746    HD2  HIS  68           HD2      HIS  68   3.168  -5.650   1.440
  747    HE1  HIS  68           HE1      HIS  68   4.068  -5.873   5.581
  748    HE2  HIS  68           HE2      HIS  68   3.578  -7.181   3.484
  749    H    LEU  69           H        LEU  69   3.493   0.338   3.770
  750    HA   LEU  69           HA       LEU  69   3.105   1.907   1.305
  751   1HB   LEU  69          1HB       LEU  69   1.683   2.493   3.296
  752   2HB   LEU  69          2HB       LEU  69   3.151   2.941   4.140
  753    HG   LEU  69           HG       LEU  69   2.274   4.252   1.568
  754   1HD1  LEU  69          1HD1      LEU  69   1.972   5.951   3.829
  755   2HD1  LEU  69          2HD1      LEU  69   1.077   4.461   4.125
  756   3HD1  LEU  69          3HD1      LEU  69   0.748   5.414   2.678
  757   1HD2  LEU  69          1HD2      LEU  69   3.772   5.997   3.128
  758   2HD2  LEU  69          2HD2      LEU  69   4.312   5.143   1.682
  759   3HD2  LEU  69          3HD2      LEU  69   4.600   4.447   3.277
  760    H    VAL  70           H        VAL  70   4.871   2.681   0.357
  761    HA   VAL  70           HA       VAL  70   7.328   2.974   1.967
  762    HB   VAL  70           HB       VAL  70   7.304   2.315  -0.976
  763   1HG1  VAL  70          1HG1      VAL  70   9.630   1.668  -0.581
  764   2HG1  VAL  70          2HG1      VAL  70   9.460   2.109   1.121
  765   3HG1  VAL  70          3HG1      VAL  70   9.339   3.351  -0.125
  766   1HG2  VAL  70          1HG2      VAL  70   7.989  -0.008  -0.204
  767   2HG2  VAL  70          2HG2      VAL  70   6.284   0.418  -0.040
  768   3HG2  VAL  70          3HG2      VAL  70   7.339   0.443   1.374
  769    H    LEU  71           H        LEU  71   8.216   4.959   1.941
  770    HA   LEU  71           HA       LEU  71   6.948   7.072   0.503
  771   1HB   LEU  71          1HB       LEU  71   9.446   6.985   2.187
  772   2HB   LEU  71          2HB       LEU  71   8.855   8.453   1.435
  773    HG   LEU  71           HG       LEU  71   8.180   8.427   3.743
  774   1HD1  LEU  71          1HD1      LEU  71   5.746   7.743   2.114
  775   2HD1  LEU  71          2HD1      LEU  71   6.603   9.279   1.989
  776   3HD1  LEU  71          3HD1      LEU  71   5.851   8.811   3.514
  777   1HD2  LEU  71          1HD2      LEU  71   6.456   6.032   3.422
  778   2HD2  LEU  71          2HD2      LEU  71   7.241   6.680   4.862
  779   3HD2  LEU  71          3HD2      LEU  71   8.183   5.779   3.674
  780    H    ARG  72           H        ARG  72   7.358   7.793  -1.466
  781    HA   ARG  72           HA       ARG  72   9.656   6.726  -2.914
  782   1HB   ARG  72          1HB       ARG  72   7.421   6.541  -3.926
  783   2HB   ARG  72          2HB       ARG  72   7.265   8.291  -3.903
  784   1HG   ARG  72          1HG       ARG  72   9.113   8.499  -5.463
  785   2HG   ARG  72          2HG       ARG  72   9.333   6.748  -5.456
  786   1HD   ARG  72          1HD       ARG  72   7.074   6.466  -6.364
  787   2HD   ARG  72          2HD       ARG  72   6.863   8.216  -6.375
  788    HE   ARG  72           HE       ARG  72   9.154   7.632  -7.849
  789   1HH1  ARG  72          1HH1      ARG  72   5.719   7.068  -8.021
  790   2HH1  ARG  72          2HH1      ARG  72   5.682   7.028  -9.752
  791   1HH2  ARG  72          1HH2      ARG  72   9.115   7.582 -10.128
  792   2HH2  ARG  72          2HH2      ARG  72   7.613   7.322 -10.951
  793    H    LEU  73           H        LEU  73  11.314   7.931  -3.678
  794    HA   LEU  73           HA       LEU  73  11.931  10.391  -2.491
  795   1HB   LEU  73          1HB       LEU  73  13.046   9.106  -4.984
  796   2HB   LEU  73          2HB       LEU  73  13.742  10.516  -4.208
  797    HG   LEU  73           HG       LEU  73  13.478   7.790  -2.932
  798   1HD1  LEU  73          1HD1      LEU  73  15.618   9.099  -4.511
  799   2HD1  LEU  73          2HD1      LEU  73  15.184   7.395  -4.380
  800   3HD1  LEU  73          3HD1      LEU  73  16.103   8.173  -3.091
  801   1HD2  LEU  73          1HD2      LEU  73  13.393   9.566  -1.285
  802   2HD2  LEU  73          2HD2      LEU  73  14.823  10.322  -1.990
  803   3HD2  LEU  73          3HD2      LEU  73  14.954   8.748  -1.206
  804    H    ARG  74           H        ARG  74  11.674  12.474  -3.086
  805    HA   ARG  74           HA       ARG  74  10.900  14.317  -4.165
  806   1HB   ARG  74          1HB       ARG  74  12.284  13.557  -6.044
  807   2HB   ARG  74          2HB       ARG  74  10.966  12.543  -6.613
  808   1HG   ARG  74          1HG       ARG  74  11.093  14.564  -7.926
  809   2HG   ARG  74          2HG       ARG  74   9.599  14.547  -6.987
  810   1HD   ARG  74          1HD       ARG  74  10.646  16.752  -6.945
  811   2HD   ARG  74          2HD       ARG  74  10.611  16.031  -5.336
  812    HE   ARG  74           HE       ARG  74  13.059  15.395  -6.522
  813   1HH1  ARG  74          1HH1      ARG  74  11.343  18.198  -5.360
  814   2HH1  ARG  74          2HH1      ARG  74  12.783  19.066  -4.946
  815   1HH2  ARG  74          1HH2      ARG  74  14.958  16.531  -5.980
  816   2HH2  ARG  74          2HH2      ARG  74  14.838  18.118  -5.297
  817    H    GLY  75           H        GLY  75   8.931  15.242  -4.312
  818   1HA   GLY  75          1HA       GLY  75   6.654  14.054  -5.483
  819   2HA   GLY  75          2HA       GLY  75   6.624  13.767  -3.750
  820    H    GLY  76           H        GLY  76   5.107  15.541  -5.798
  821   1HA   GLY  76          1HA       GLY  76   3.971  17.532  -5.681
  822   2HA   GLY  76          2HA       GLY  76   4.421  17.586  -3.984
  Start of MODEL    9
    1   1H    TYR 255          1H        TYR 255 -19.401  -3.551  -8.655
    2   2H    TYR 255          2H        TYR 255 -20.677  -2.868  -7.779
    3   3H    TYR 255          3H        TYR 255 -19.302  -3.431  -6.970
    4    HA   TYR 255           HA       TYR 255 -18.154  -1.707  -8.612
    5   1HB   TYR 255          1HB       TYR 255 -20.932  -0.665  -8.012
    6   2HB   TYR 255          2HB       TYR 255 -19.613   0.336  -8.604
    7    HD1  TYR 255           HD1      TYR 255 -19.869   0.897 -10.814
    8    HD2  TYR 255           HD2      TYR 255 -21.029  -3.003  -9.571
    9    HE1  TYR 255           HE1      TYR 255 -20.481   0.347 -13.131
   10    HE2  TYR 255           HE2      TYR 255 -21.641  -3.565 -11.885
   11    HH   TYR 255           HH       TYR 255 -21.521  -2.906 -14.033
   12    HA   PRO 256           HA       PRO 256 -16.721  -0.736  -4.520
   13   1HB   PRO 256          1HB       PRO 256 -15.210   1.465  -5.173
   14   2HB   PRO 256          2HB       PRO 256 -14.671  -0.205  -5.370
   15   1HG   PRO 256          1HG       PRO 256 -15.813   1.671  -7.399
   16   2HG   PRO 256          2HG       PRO 256 -14.465   0.528  -7.560
   17   1HD   PRO 256          1HD       PRO 256 -16.905  -0.024  -8.538
   18   2HD   PRO 256          2HD       PRO 256 -15.875  -1.290  -7.839
   19    H    GLU 257           H        GLU 257 -17.473   0.468  -2.880
   20    HA   GLU 257           HA       GLU 257 -18.614   3.108  -3.389
   21   1HB   GLU 257          1HB       GLU 257 -20.118   0.827  -2.102
   22   2HB   GLU 257          2HB       GLU 257 -20.639   2.504  -2.045
   23   1HG   GLU 257          1HG       GLU 257 -20.278   0.888  -4.558
   24   2HG   GLU 257          2HG       GLU 257 -21.817   1.193  -3.754
   25    H    ASP 258           H        ASP 258 -18.524   0.707  -0.775
   26    HA   ASP 258           HA       ASP 258 -17.934   2.694   1.202
   27   1HB   ASP 258          1HB       ASP 258 -17.882  -0.328   1.387
   28   2HB   ASP 258          2HB       ASP 258 -17.790   0.780   2.753
   29    H    GLU 259           H        GLU 259 -16.135   0.186  -0.495
   30    HA   GLU 259           HA       GLU 259 -13.702   0.594   0.937
   31   1HB   GLU 259          1HB       GLU 259 -14.390  -0.857  -1.605
   32   2HB   GLU 259          2HB       GLU 259 -12.722  -0.680  -1.080
   33   1HG   GLU 259          1HG       GLU 259 -13.443  -2.789  -0.331
   34   2HG   GLU 259          2HG       GLU 259 -13.393  -1.746   1.086
   35    H    GLU 260           H        GLU 260 -15.039   1.829  -2.074
   36    HA   GLU 260           HA       GLU 260 -12.743   3.042  -3.105
   37   1HB   GLU 260          1HB       GLU 260 -14.798   2.778  -4.403
   38   2HB   GLU 260          2HB       GLU 260 -15.628   3.914  -3.348
   39   1HG   GLU 260          1HG       GLU 260 -14.121   5.692  -4.078
   40   2HG   GLU 260          2HG       GLU 260 -13.295   4.553  -5.140
   41    H    GLU 261           H        GLU 261 -15.199   4.307  -0.883
   42    HA   GLU 261           HA       GLU 261 -14.179   6.920  -0.696
   43   1HB   GLU 261          1HB       GLU 261 -16.440   6.291   0.039
   44   2HB   GLU 261          2HB       GLU 261 -15.751   5.346   1.352
   45   1HG   GLU 261          1HG       GLU 261 -14.801   7.383   2.316
   46   2HG   GLU 261          2HG       GLU 261 -15.505   8.326   1.003
   47    H    LEU 262           H        LEU 262 -13.581   4.031   1.275
   48    HA   LEU 262           HA       LEU 262 -11.892   5.297   3.154
   49   1HB   LEU 262          1HB       LEU 262 -12.986   3.152   3.581
   50   2HB   LEU 262          2HB       LEU 262 -12.028   2.400   2.321
   51    HG   LEU 262           HG       LEU 262  -9.991   2.762   3.615
   52   1HD1  LEU 262          1HD1      LEU 262 -10.719   4.842   4.737
   53   2HD1  LEU 262          2HD1      LEU 262 -10.037   3.655   5.851
   54   3HD1  LEU 262          3HD1      LEU 262 -11.785   3.882   5.763
   55   1HD2  LEU 262          1HD2      LEU 262 -12.113   1.515   5.348
   56   2HD2  LEU 262          2HD2      LEU 262 -10.388   1.146   5.328
   57   3HD2  LEU 262          3HD2      LEU 262 -11.397   0.727   3.942
   58    H    ILE 263           H        ILE 263 -11.231   3.556   0.147
   59    HA   ILE 263           HA       ILE 263  -8.448   3.494   0.294
   60    HB   ILE 263           HB       ILE 263 -10.460   3.199  -1.822
   61   1HG1  ILE 263          1HG1      ILE 263  -7.840   1.794  -1.313
   62   2HG1  ILE 263          2HG1      ILE 263  -9.385   1.334  -0.609
   63   1HG2  ILE 263          1HG2      ILE 263  -8.654   3.246  -3.615
   64   2HG2  ILE 263          2HG2      ILE 263  -7.702   4.193  -2.473
   65   3HG2  ILE 263          3HG2      ILE 263  -9.253   4.804  -3.047
   66   1HD1  ILE 263          1HD1      ILE 263  -9.478   1.539  -3.506
   67   2HD1  ILE 263          2HD1      ILE 263 -10.008   0.238  -2.439
   68   3HD1  ILE 263          3HD1      ILE 263  -8.315   0.347  -2.924
   69    H    ARG 264           H        ARG 264 -10.527   5.908  -1.343
   70    HA   ARG 264           HA       ARG 264  -8.387   7.627  -2.011
   71   1HB   ARG 264          1HB       ARG 264 -10.098   9.321  -2.439
   72   2HB   ARG 264          2HB       ARG 264 -10.525   7.778  -3.161
   73   1HG   ARG 264          1HG       ARG 264 -12.045   7.334  -1.286
   74   2HG   ARG 264          2HG       ARG 264 -11.637   8.909  -0.602
   75   1HD   ARG 264          1HD       ARG 264 -12.948   8.399  -3.269
   76   2HD   ARG 264          2HD       ARG 264 -13.734   9.030  -1.822
   77    HE   ARG 264           HE       ARG 264 -11.587  10.704  -2.446
   78   1HH1  ARG 264          1HH1      ARG 264 -14.669   9.761  -3.767
   79   2HH1  ARG 264          2HH1      ARG 264 -14.925  11.268  -4.582
   80   1HH2  ARG 264          1HH2      ARG 264 -11.914  12.690  -3.519
   81   2HH2  ARG 264          2HH2      ARG 264 -13.357  12.931  -4.445
   82    H    LYS 265           H        LYS 265 -10.320   7.209   0.850
   83    HA   LYS 265           HA       LYS 265  -9.875   9.617   2.178
   84   1HB   LYS 265          1HB       LYS 265 -11.366   7.829   3.014
   85   2HB   LYS 265          2HB       LYS 265  -9.960   6.829   3.355
   86   1HG   LYS 265          1HG       LYS 265  -9.190   8.689   4.896
   87   2HG   LYS 265          2HG       LYS 265 -10.810   9.365   4.712
   88   1HD   LYS 265          1HD       LYS 265 -10.159   6.601   5.733
   89   2HD   LYS 265          2HD       LYS 265 -10.633   7.980   6.726
   90   1HE   LYS 265          1HE       LYS 265 -12.310   6.684   4.580
   91   2HE   LYS 265          2HE       LYS 265 -12.514   6.470   6.317
   92   1HZ   LYS 265          1HZ       LYS 265 -14.058   8.088   5.795
   93   2HZ   LYS 265          2HZ       LYS 265 -13.052   8.858   4.675
   94   3HZ   LYS 265          3HZ       LYS 265 -12.748   9.015   6.331
   95    H    ALA 266           H        ALA 266  -7.986   6.620   2.202
   96    HA   ALA 266           HA       ALA 266  -5.846   7.596   3.765
   97   1HB   ALA 266          1HB       ALA 266  -5.022   5.516   3.555
   98   2HB   ALA 266          2HB       ALA 266  -5.155   5.540   1.797
   99   3HB   ALA 266          3HB       ALA 266  -6.564   5.149   2.782
  100    H    ILE 267           H        ILE 267  -6.545   7.578   0.322
  101    HA   ILE 267           HA       ILE 267  -4.073   8.340  -0.694
  102    HB   ILE 267           HB       ILE 267  -6.832   9.051  -1.682
  103   1HG1  ILE 267          1HG1      ILE 267  -4.858   6.929  -2.558
  104   2HG1  ILE 267          2HG1      ILE 267  -6.315   6.643  -1.613
  105   1HG2  ILE 267          1HG2      ILE 267  -4.951  10.575  -2.457
  106   2HG2  ILE 267          2HG2      ILE 267  -5.908   9.790  -3.714
  107   3HG2  ILE 267          3HG2      ILE 267  -4.308   9.170  -3.307
  108   1HD1  ILE 267          1HD1      ILE 267  -7.170   8.010  -3.887
  109   2HD1  ILE 267          2HD1      ILE 267  -7.382   6.299  -3.518
  110   3HD1  ILE 267          3HD1      ILE 267  -5.987   6.833  -4.456
  111    H    GLU 268           H        GLU 268  -6.748  10.364   0.457
  112    HA   GLU 268           HA       GLU 268  -5.483  12.842  -0.043
  113   1HB   GLU 268          1HB       GLU 268  -7.653  12.177   1.952
  114   2HB   GLU 268          2HB       GLU 268  -7.219  13.792   1.411
  115   1HG   GLU 268          1HG       GLU 268  -8.342  11.593  -0.310
  116   2HG   GLU 268          2HG       GLU 268  -9.224  12.994   0.297
  117    H    LEU 269           H        LEU 269  -5.662  10.749   2.800
  118    HA   LEU 269           HA       LEU 269  -4.442  12.437   4.657
  119   1HB   LEU 269          1HB       LEU 269  -4.298   9.428   4.458
  120   2HB   LEU 269          2HB       LEU 269  -3.851  10.365   5.871
  121    HG   LEU 269           HG       LEU 269  -6.625  10.256   4.683
  122   1HD1  LEU 269          1HD1      LEU 269  -5.275   8.357   6.261
  123   2HD1  LEU 269          2HD1      LEU 269  -6.990   8.408   5.852
  124   3HD1  LEU 269          3HD1      LEU 269  -6.411   9.187   7.325
  125   1HD2  LEU 269          1HD2      LEU 269  -7.181  11.260   6.955
  126   2HD2  LEU 269          2HD2      LEU 269  -6.411  12.323   5.776
  127   3HD2  LEU 269          3HD2      LEU 269  -5.461  11.627   7.089
  128    H    SER 270           H        SER 270  -3.000  10.140   2.378
  129    HA   SER 270           HA       SER 270  -0.331  10.491   3.247
  130   1HB   SER 270          1HB       SER 270  -1.001   8.534   1.948
  131   2HB   SER 270          2HB       SER 270  -1.396   9.560   0.570
  132    HG   SER 270           HG       SER 270   1.163   9.838   1.589
  133    H    LEU 271           H        LEU 271  -2.200  11.956   0.605
  134    HA   LEU 271           HA       LEU 271  -0.142  13.494  -0.503
  135   1HB   LEU 271          1HB       LEU 271  -3.107  14.045  -0.391
  136   2HB   LEU 271          2HB       LEU 271  -1.974  14.926  -1.395
  137    HG   LEU 271           HG       LEU 271  -2.584  11.978  -1.628
  138   1HD1  LEU 271          1HD1      LEU 271  -3.635  12.638  -3.765
  139   2HD1  LEU 271          2HD1      LEU 271  -3.409  14.330  -3.323
  140   3HD1  LEU 271          3HD1      LEU 271  -4.464  13.300  -2.355
  141   1HD2  LEU 271          1HD2      LEU 271  -0.660  13.800  -3.015
  142   2HD2  LEU 271          2HD2      LEU 271  -1.352  12.421  -3.869
  143   3HD2  LEU 271          3HD2      LEU 271  -0.411  12.166  -2.399
  144    H    LYS 272           H        LYS 272  -2.379  14.196   2.135
  145    HA   LYS 272           HA       LYS 272  -1.846  16.896   2.502
  146   1HB   LYS 272          1HB       LYS 272  -3.652  15.702   3.655
  147   2HB   LYS 272          2HB       LYS 272  -2.470  14.809   4.601
  148   1HG   LYS 272          1HG       LYS 272  -3.408  16.577   5.934
  149   2HG   LYS 272          2HG       LYS 272  -1.711  16.927   5.604
  150   1HD   LYS 272          1HD       LYS 272  -2.382  18.454   3.807
  151   2HD   LYS 272          2HD       LYS 272  -4.078  18.107   4.150
  152   1HE   LYS 272          1HE       LYS 272  -2.103  19.372   6.047
  153   2HE   LYS 272          2HE       LYS 272  -3.383  20.212   5.174
  154   1HZ   LYS 272          1HZ       LYS 272  -3.677  18.204   7.332
  155   2HZ   LYS 272          2HZ       LYS 272  -4.969  18.685   6.352
  156   3HZ   LYS 272          3HZ       LYS 272  -4.187  19.817   7.336
  157    H    GLU 273           H        GLU 273  -0.225  14.097   3.995
  158    HA   GLU 273           HA       GLU 273   1.634  15.630   5.478
  159   1HB   GLU 273          1HB       GLU 273   1.071  13.281   5.999
  160   2HB   GLU 273          2HB       GLU 273   1.871  12.773   4.518
  161   1HG   GLU 273          1HG       GLU 273   3.342  12.383   6.356
  162   2HG   GLU 273          2HG       GLU 273   3.987  13.710   5.391
  163    H    SER 274           H        SER 274   1.973  13.837   2.422
  164    HA   SER 274           HA       SER 274   4.598  14.956   1.957
  165   1HB   SER 274          1HB       SER 274   4.148  12.638   1.308
  166   2HB   SER 274          2HB       SER 274   2.872  13.177   0.217
  167    HG   SER 274           HG       SER 274   4.339  13.933  -1.159
  168    H    ARG 275           H        ARG 275   2.888  17.040   2.169
  169    HA   ARG 275           HA       ARG 275   1.663  17.890  -0.215
  170   1HB   ARG 275          1HB       ARG 275   1.168  18.904   1.961
  171   2HB   ARG 275          2HB       ARG 275   2.799  19.555   2.038
  172   1HG   ARG 275          1HG       ARG 275   2.359  20.963   0.116
  173   2HG   ARG 275          2HG       ARG 275   0.744  20.272  -0.043
  174   1HD   ARG 275          1HD       ARG 275   0.151  21.150   2.160
  175   2HD   ARG 275          2HD       ARG 275   1.769  21.830   2.328
  176    HE   ARG 275           HE       ARG 275   1.019  23.625   1.158
  177   1HH1  ARG 275          1HH1      ARG 275  -0.877  20.860   0.188
  178   2HH1  ARG 275          2HH1      ARG 275  -1.869  21.766  -0.904
  179   1HH2  ARG 275          1HH2      ARG 275  -0.284  24.818  -0.276
  180   2HH2  ARG 275          2HH2      ARG 275  -1.530  24.013  -1.170
  181    H    ASN 276           H        ASN 276   4.893  18.560   1.111
  182    HA   ASN 276           HA       ASN 276   6.136  18.665  -1.408
  183   1HB   ASN 276          1HB       ASN 276   4.791  20.811  -1.487
  184   2HB   ASN 276          2HB       ASN 276   5.795  21.401  -0.166
  185   1HD2  ASN 276          1HD2      ASN 276   5.399  21.462  -3.401
  186   2HD2  ASN 276          2HD2      ASN 276   7.013  21.831  -3.896
  187    H    SER 277           H        SER 277   6.887  17.280   0.698
  188    HA   SER 277           HA       SER 277   9.517  18.167   1.232
  189   1HB   SER 277          1HB       SER 277   8.388  19.687   2.799
  190   2HB   SER 277          2HB       SER 277   7.600  18.313   3.574
  191    HG   SER 277           HG       SER 277  10.263  19.148   3.693
  192    H    ALA 278           H        ALA 278   6.885  16.207   2.612
  193    HA   ALA 278           HA       ALA 278   8.532  14.167   3.641
  194   1HB   ALA 278          1HB       ALA 278   6.571  12.973   4.076
  195   2HB   ALA 278          2HB       ALA 278   5.714  13.706   2.720
  196   3HB   ALA 278          3HB       ALA 278   6.073  14.663   4.157
  197   1H    MET   1          1H        MET   1  17.541  -2.376   1.630
  198   2H    MET   1          2H        MET   1  17.002  -2.961   3.123
  199   3H    MET   1          3H        MET   1  17.950  -1.561   3.056
  200    HA   MET   1           HA       MET   1  16.119  -0.358   3.007
  201   1HB   MET   1          1HB       MET   1  16.625  -0.431   0.601
  202   2HB   MET   1          2HB       MET   1  15.621  -1.863   0.429
  203   1HG   MET   1          1HG       MET   1  13.657  -0.579   1.067
  204   2HG   MET   1          2HG       MET   1  14.656   0.857   1.281
  205   1HE   MET   1          1HE       MET   1  12.528   1.458   0.068
  206   2HE   MET   1          2HE       MET   1  12.095   0.958  -1.567
  207   3HE   MET   1          3HE       MET   1  13.120   2.372  -1.319
  208    H    GLN   2           H        GLN   2  14.141  -0.342   3.936
  209    HA   GLN   2           HA       GLN   2  12.440  -2.705   3.767
  210   1HB   GLN   2          1HB       GLN   2  13.431  -1.567   6.386
  211   2HB   GLN   2          2HB       GLN   2  12.163  -2.775   6.232
  212   1HG   GLN   2          1HG       GLN   2  13.750  -4.331   5.237
  213   2HG   GLN   2          2HG       GLN   2  15.024  -3.118   5.360
  214   1HE2  GLN   2          1HE2      GLN   2  13.846  -5.812   6.748
  215   2HE2  GLN   2          2HE2      GLN   2  14.401  -5.589   8.369
  216    H    ILE   3           H        ILE   3  10.334  -2.221   3.738
  217    HA   ILE   3           HA       ILE   3   9.551   0.541   4.390
  218    HB   ILE   3           HB       ILE   3   7.703   0.266   2.755
  219   1HG1  ILE   3          1HG1      ILE   3   9.186  -2.250   1.950
  220   2HG1  ILE   3          2HG1      ILE   3   7.640  -2.218   2.792
  221   1HG2  ILE   3          1HG2      ILE   3   8.974   0.980   0.991
  222   2HG2  ILE   3          2HG2      ILE   3  10.202  -0.264   1.230
  223   3HG2  ILE   3          3HG2      ILE   3  10.147   1.137   2.300
  224   1HD1  ILE   3          1HD1      ILE   3   7.033  -2.572   0.595
  225   2HD1  ILE   3          2HD1      ILE   3   8.270  -1.482  -0.031
  226   3HD1  ILE   3          3HD1      ILE   3   6.840  -0.828   0.767
  227    H    PHE   4           H        PHE   4   7.428   0.861   5.268
  228    HA   PHE   4           HA       PHE   4   6.487  -1.482   6.778
  229   1HB   PHE   4          1HB       PHE   4   6.595   1.433   7.449
  230   2HB   PHE   4          2HB       PHE   4   5.409   0.397   8.233
  231    HD1  PHE   4           HD1      PHE   4   5.974  -0.729  10.140
  232    HD2  PHE   4           HD2      PHE   4   9.067   0.601   7.540
  233    HE1  PHE   4           HE1      PHE   4   7.651  -1.453  11.780
  234    HE2  PHE   4           HE2      PHE   4  10.758  -0.117   9.180
  235    HZ   PHE   4           HZ       PHE   4  10.050  -1.144  11.305
  236    H    VAL   5           H        VAL   5   4.383  -2.063   6.788
  237    HA   VAL   5           HA       VAL   5   2.616  -0.631   4.916
  238    HB   VAL   5           HB       VAL   5   2.399  -3.481   5.907
  239   1HG1  VAL   5          1HG1      VAL   5   0.907  -2.229   3.618
  240   2HG1  VAL   5          2HG1      VAL   5   0.273  -2.245   5.263
  241   3HG1  VAL   5          3HG1      VAL   5   0.592  -3.764   4.428
  242   1HG2  VAL   5          1HG2      VAL   5   3.058  -2.683   3.098
  243   2HG2  VAL   5          2HG2      VAL   5   3.337  -4.220   3.917
  244   3HG2  VAL   5          3HG2      VAL   5   4.328  -2.816   4.314
  245    H    LYS   6           H        LYS   6   1.280   0.714   5.957
  246    HA   LYS   6           HA       LYS   6   0.451   0.144   8.685
  247   1HB   LYS   6          1HB       LYS   6   1.163   2.422   8.059
  248   2HB   LYS   6          2HB       LYS   6  -0.170   2.516   6.916
  249   1HG   LYS   6          1HG       LYS   6  -1.753   2.262   8.792
  250   2HG   LYS   6          2HG       LYS   6  -0.387   2.275   9.909
  251   1HD   LYS   6          1HD       LYS   6   0.228   4.515   9.101
  252   2HD   LYS   6          2HD       LYS   6  -1.169   4.497   8.023
  253   1HE   LYS   6          1HE       LYS   6  -1.687   5.758  10.021
  254   2HE   LYS   6          2HE       LYS   6  -2.647   4.280   9.978
  255   1HZ   LYS   6          1HZ       LYS   6  -0.286   3.697  11.329
  256   2HZ   LYS   6          2HZ       LYS   6  -1.850   3.783  11.967
  257   3HZ   LYS   6          3HZ       LYS   6  -0.861   5.155  11.967
  258    H    THR   7           H        THR   7  -1.424  -0.744   9.226
  259    HA   THR   7           HA       THR   7  -3.345  -1.415   7.174
  260    HB   THR   7           HB       THR   7  -4.540  -2.623   8.949
  261    HG1  THR   7           HG1      THR   7  -2.993  -2.619  10.991
  262   1HG2  THR   7          1HG2      THR   7  -2.116  -3.285   7.858
  263   2HG2  THR   7          2HG2      THR   7  -3.134  -4.370   8.805
  264   3HG2  THR   7          3HG2      THR   7  -1.818  -3.492   9.585
  265    H    LEU   8           H        LEU   8  -5.394  -0.611   6.958
  266    HA   LEU   8           HA       LEU   8  -5.934   2.018   7.581
  267   1HB   LEU   8          1HB       LEU   8  -7.111   0.478   5.931
  268   2HB   LEU   8          2HB       LEU   8  -8.074  -0.075   7.286
  269    HG   LEU   8           HG       LEU   8  -9.143   1.678   5.831
  270   1HD1  LEU   8          1HD1      LEU   8  -9.948   1.235   8.085
  271   2HD1  LEU   8          2HD1      LEU   8 -10.067   2.951   7.695
  272   3HD1  LEU   8          3HD1      LEU   8  -8.769   2.372   8.738
  273   1HD2  LEU   8          1HD2      LEU   8  -8.429   3.906   5.872
  274   2HD2  LEU   8          2HD2      LEU   8  -6.954   2.972   5.625
  275   3HD2  LEU   8          3HD2      LEU   8  -7.329   3.623   7.220
  276    H    THR   9           H        THR   9  -6.621  -0.882   9.448
  277    HA   THR   9           HA       THR   9  -8.317   0.251  11.374
  278    HB   THR   9           HB       THR   9  -7.686  -1.638  12.819
  279    HG1  THR   9           HG1      THR   9  -5.594  -2.084  12.528
  280   1HG2  THR   9          1HG2      THR   9  -8.666  -3.295  11.519
  281   2HG2  THR   9          2HG2      THR   9  -7.867  -2.752  10.043
  282   3HG2  THR   9          3HG2      THR   9  -9.204  -1.820  10.717
  283    H    GLY  10           H        GLY  10  -4.771  -0.233  11.446
  284   1HA   GLY  10          1HA       GLY  10  -3.764   1.984  12.370
  285   2HA   GLY  10          2HA       GLY  10  -4.656   1.513  13.807
  286    H    LYS  11           H        LYS  11  -2.517  -0.191  11.490
  287    HA   LYS  11           HA       LYS  11  -0.582  -0.679  13.564
  288   1HB   LYS  11          1HB       LYS  11  -2.312  -2.393  14.013
  289   2HB   LYS  11          2HB       LYS  11  -2.089  -3.018  12.387
  290   1HG   LYS  11          1HG       LYS  11  -0.901  -4.396  13.962
  291   2HG   LYS  11          2HG       LYS  11   0.251  -3.547  12.929
  292   1HD   LYS  11          1HD       LYS  11   0.599  -1.888  14.704
  293   2HD   LYS  11          2HD       LYS  11  -0.540  -2.761  15.731
  294   1HE   LYS  11          1HE       LYS  11   0.912  -4.728  15.669
  295   2HE   LYS  11          2HE       LYS  11   2.048  -3.858  14.638
  296   1HZ   LYS  11          1HZ       LYS  11   2.938  -3.619  16.743
  297   2HZ   LYS  11          2HZ       LYS  11   1.432  -3.419  17.488
  298   3HZ   LYS  11          3HZ       LYS  11   2.084  -2.170  16.552
  299    H    THR  12           H        THR  12   1.289  -0.396  12.577
  300    HA   THR  12           HA       THR  12   1.555  -1.115   9.743
  301    HB   THR  12           HB       THR  12   2.137   1.190  10.228
  302    HG1  THR  12           HG1      THR  12   4.179   1.152   9.279
  303   1HG2  THR  12          1HG2      THR  12   2.945   1.657  12.261
  304   2HG2  THR  12          2HG2      THR  12   4.509   1.112  11.655
  305   3HG2  THR  12          3HG2      THR  12   3.459  -0.010  12.521
  306    H    ILE  13           H        ILE  13   3.093  -2.556   9.031
  307    HA   ILE  13           HA       ILE  13   4.665  -3.911  11.129
  308    HB   ILE  13           HB       ILE  13   3.393  -5.175   8.703
  309   1HG1  ILE  13          1HG1      ILE  13   1.790  -4.693  10.499
  310   2HG1  ILE  13          2HG1      ILE  13   2.051  -6.425  10.336
  311   1HG2  ILE  13          1HG2      ILE  13   5.628  -5.976  10.338
  312   2HG2  ILE  13          2HG2      ILE  13   4.995  -6.707   8.860
  313   3HG2  ILE  13          3HG2      ILE  13   4.320  -7.158  10.427
  314   1HD1  ILE  13          1HD1      ILE  13   3.873  -5.302  12.256
  315   2HD1  ILE  13          2HD1      ILE  13   2.681  -6.587  12.451
  316   3HD1  ILE  13          3HD1      ILE  13   2.204  -4.902  12.657
  317    H    THR  14           H        THR  14   6.741  -4.470  10.713
  318    HA   THR  14           HA       THR  14   8.179  -3.026   8.729
  319    HB   THR  14           HB       THR  14   9.228  -5.408  10.264
  320    HG1  THR  14           HG1      THR  14   9.428  -4.171  12.025
  321   1HG2  THR  14          1HG2      THR  14  10.955  -3.098   9.960
  322   2HG2  THR  14          2HG2      THR  14  10.404  -3.716   8.404
  323   3HG2  THR  14          3HG2      THR  14  11.243  -4.784   9.529
  324    H    LEU  15           H        LEU  15   8.941  -3.686   6.734
  325    HA   LEU  15           HA       LEU  15   8.811  -6.517   6.054
  326   1HB   LEU  15          1HB       LEU  15   6.597  -5.293   5.498
  327   2HB   LEU  15          2HB       LEU  15   7.507  -4.541   4.203
  328    HG   LEU  15           HG       LEU  15   6.205  -6.462   3.412
  329   1HD1  LEU  15          1HD1      LEU  15   9.194  -6.764   3.333
  330   2HD1  LEU  15          2HD1      LEU  15   8.144  -6.005   2.137
  331   3HD1  LEU  15          3HD1      LEU  15   8.094  -7.752   2.372
  332   1HD2  LEU  15          1HD2      LEU  15   6.380  -8.601   4.231
  333   2HD2  LEU  15          2HD2      LEU  15   6.559  -7.652   5.707
  334   3HD2  LEU  15          3HD2      LEU  15   7.982  -8.326   4.914
  335    H    GLU  16           H        GLU  16  10.703  -6.992   5.194
  336    HA   GLU  16           HA       GLU  16  12.529  -5.021   4.260
  337   1HB   GLU  16          1HB       GLU  16  13.152  -7.197   5.344
  338   2HB   GLU  16          2HB       GLU  16  12.653  -8.021   3.879
  339   1HG   GLU  16          1HG       GLU  16  14.714  -5.874   3.728
  340   2HG   GLU  16          2HG       GLU  16  15.153  -7.476   4.311
  341    H    VAL  17           H        VAL  17  12.765  -4.189   2.267
  342    HA   VAL  17           HA       VAL  17  11.796  -5.673  -0.038
  343    HB   VAL  17           HB       VAL  17  10.738  -3.040   0.918
  344   1HG1  VAL  17          1HG1      VAL  17  10.582  -3.958  -1.938
  345   2HG1  VAL  17          2HG1      VAL  17  11.700  -2.730  -1.347
  346   3HG1  VAL  17          3HG1      VAL  17   9.960  -2.456  -1.252
  347   1HG2  VAL  17          1HG2      VAL  17   8.916  -4.707  -0.541
  348   2HG2  VAL  17          2HG2      VAL  17   8.851  -4.189   1.144
  349   3HG2  VAL  17          3HG2      VAL  17   9.734  -5.651   0.704
  350    H    GLU  18           H        GLU  18  13.232  -5.573  -1.624
  351    HA   GLU  18           HA       GLU  18  15.514  -3.839  -1.477
  352   1HB   GLU  18          1HB       GLU  18  14.625  -5.720  -3.675
  353   2HB   GLU  18          2HB       GLU  18  16.196  -4.938  -3.578
  354   1HG   GLU  18          1HG       GLU  18  16.669  -6.138  -1.506
  355   2HG   GLU  18          2HG       GLU  18  15.092  -6.919  -1.598
  356    H    SER  19           H        SER  19  16.105  -2.231  -3.022
  357    HA   SER  19           HA       SER  19  14.081  -0.454  -3.724
  358   1HB   SER  19          1HB       SER  19  16.423   0.233  -3.502
  359   2HB   SER  19          2HB       SER  19  16.848  -0.709  -4.931
  360    HG   SER  19           HG       SER  19  16.131   0.848  -6.147
  361    H    SER  20           H        SER  20  15.853  -2.728  -5.826
  362    HA   SER  20           HA       SER  20  13.983  -2.183  -7.995
  363   1HB   SER  20          1HB       SER  20  16.455  -3.929  -7.911
  364   2HB   SER  20          2HB       SER  20  15.485  -3.612  -9.349
  365    HG   SER  20           HG       SER  20  17.407  -2.088  -8.204
  366    H    ASP  21           H        ASP  21  12.846  -3.456  -5.749
  367    HA   ASP  21           HA       ASP  21  12.652  -6.285  -6.244
  368   1HB   ASP  21          1HB       ASP  21  11.069  -6.310  -4.421
  369   2HB   ASP  21          2HB       ASP  21  12.417  -5.267  -3.976
  370    H    THR  22           H        THR  22   9.754  -6.311  -5.649
  371    HA   THR  22           HA       THR  22   8.464  -5.170  -7.976
  372    HB   THR  22           HB       THR  22   7.544  -7.366  -8.730
  373    HG1  THR  22           HG1      THR  22   7.956  -9.049  -7.536
  374   1HG2  THR  22          1HG2      THR  22  10.555  -7.217  -8.889
  375   2HG2  THR  22          2HG2      THR  22   9.442  -6.300  -9.905
  376   3HG2  THR  22          3HG2      THR  22   9.482  -8.060 -10.006
  377    H    ILE  23           H        ILE  23   6.304  -4.835  -7.619
  378    HA   ILE  23           HA       ILE  23   5.275  -4.861  -5.053
  379    HB   ILE  23           HB       ILE  23   3.749  -4.963  -7.658
  380   1HG1  ILE  23          1HG1      ILE  23   5.216  -3.006  -7.423
  381   2HG1  ILE  23          2HG1      ILE  23   3.522  -2.537  -7.336
  382   1HG2  ILE  23          1HG2      ILE  23   1.980  -5.394  -6.357
  383   2HG2  ILE  23          2HG2      ILE  23   2.120  -3.706  -5.866
  384   3HG2  ILE  23          3HG2      ILE  23   2.845  -4.974  -4.878
  385   1HD1  ILE  23          1HD1      ILE  23   5.344  -2.898  -4.969
  386   2HD1  ILE  23          2HD1      ILE  23   3.669  -2.345  -4.930
  387   3HD1  ILE  23          3HD1      ILE  23   4.908  -1.356  -5.704
  388    H    ASP  24           H        ASP  24   5.047  -7.325  -7.567
  389    HA   ASP  24           HA       ASP  24   3.166  -9.016  -6.410
  390   1HB   ASP  24          1HB       ASP  24   5.624  -9.834  -7.975
  391   2HB   ASP  24          2HB       ASP  24   4.183 -10.814  -7.726
  392    H    ASN  25           H        ASN  25   6.695  -8.983  -5.974
  393    HA   ASN  25           HA       ASN  25   6.832 -11.131  -4.169
  394   1HB   ASN  25          1HB       ASN  25   8.811 -10.244  -5.316
  395   2HB   ASN  25          2HB       ASN  25   8.664  -8.735  -4.420
  396   1HD2  ASN  25          1HD2      ASN  25  10.027  -8.571  -2.812
  397   2HD2  ASN  25          2HD2      ASN  25  10.633  -9.867  -1.844
  398    H    VAL  26           H        VAL  26   6.413  -7.660  -3.672
  399    HA   VAL  26           HA       VAL  26   6.616  -7.581  -0.892
  400    HB   VAL  26           HB       VAL  26   4.840  -5.888  -2.660
  401   1HG1  VAL  26          1HG1      VAL  26   5.306  -5.916   0.209
  402   2HG1  VAL  26          2HG1      VAL  26   4.071  -5.077  -0.729
  403   3HG1  VAL  26          3HG1      VAL  26   5.666  -4.353  -0.524
  404   1HG2  VAL  26          1HG2      VAL  26   7.114  -4.464  -1.838
  405   2HG2  VAL  26          2HG2      VAL  26   6.725  -5.028  -3.463
  406   3HG2  VAL  26          3HG2      VAL  26   7.693  -6.037  -2.388
  407    H    LYS  27           H        LYS  27   3.781  -8.138  -2.954
  408    HA   LYS  27           HA       LYS  27   1.888  -8.326  -0.889
  409   1HB   LYS  27          1HB       LYS  27   1.939  -9.460  -3.681
  410   2HB   LYS  27          2HB       LYS  27   0.560  -9.646  -2.608
  411   1HG   LYS  27          1HG       LYS  27   1.714  -7.006  -3.480
  412   2HG   LYS  27          2HG       LYS  27   0.307  -7.788  -4.205
  413   1HD   LYS  27          1HD       LYS  27  -0.824  -7.719  -2.012
  414   2HD   LYS  27          2HD       LYS  27   0.569  -6.869  -1.340
  415   1HE   LYS  27          1HE       LYS  27   0.210  -5.035  -2.917
  416   2HE   LYS  27          2HE       LYS  27  -1.173  -5.887  -3.601
  417   1HZ   LYS  27          1HZ       LYS  27  -2.211  -5.785  -1.374
  418   2HZ   LYS  27          2HZ       LYS  27  -1.954  -4.260  -2.058
  419   3HZ   LYS  27          3HZ       LYS  27  -0.925  -4.824  -0.841
  420    H    SER  28           H        SER  28   3.879 -10.791  -2.476
  421    HA   SER  28           HA       SER  28   2.753 -13.047  -1.273
  422   1HB   SER  28          1HB       SER  28   4.332 -13.195  -3.142
  423   2HB   SER  28          2HB       SER  28   5.630 -12.598  -2.107
  424    HG   SER  28           HG       SER  28   4.880 -14.544  -0.751
  425    H    LYS  29           H        LYS  29   5.505 -11.061  -0.203
  426    HA   LYS  29           HA       LYS  29   6.069 -12.527   2.126
  427   1HB   LYS  29          1HB       LYS  29   6.540  -9.582   1.631
  428   2HB   LYS  29          2HB       LYS  29   7.338 -10.571   2.847
  429   1HG   LYS  29          1HG       LYS  29   8.271 -11.963   1.007
  430   2HG   LYS  29          2HG       LYS  29   7.592 -10.810  -0.141
  431   1HD   LYS  29          1HD       LYS  29   9.912 -10.281   0.224
  432   2HD   LYS  29          2HD       LYS  29   8.915  -9.019   0.950
  433   1HE   LYS  29          1HE       LYS  29   9.208 -10.036   3.147
  434   2HE   LYS  29          2HE       LYS  29  10.168 -11.330   2.432
  435   1HZ   LYS  29          1HZ       LYS  29  11.874 -10.008   2.972
  436   2HZ   LYS  29          2HZ       LYS  29  10.920  -8.615   3.079
  437   3HZ   LYS  29          3HZ       LYS  29  11.466  -9.151   1.571
  438    H    ILE  30           H        ILE  30   4.026  -9.667   1.610
  439    HA   ILE  30           HA       ILE  30   3.287  -9.235   4.274
  440    HB   ILE  30           HB       ILE  30   1.700  -8.709   1.755
  441   1HG1  ILE  30          1HG1      ILE  30   3.407  -6.873   3.453
  442   2HG1  ILE  30          2HG1      ILE  30   3.882  -7.549   1.899
  443   1HG2  ILE  30          1HG2      ILE  30   0.150  -8.737   3.559
  444   2HG2  ILE  30          2HG2      ILE  30   0.491  -7.044   3.198
  445   3HG2  ILE  30          3HG2      ILE  30   1.242  -7.816   4.594
  446   1HD1  ILE  30          1HD1      ILE  30   2.999  -5.779   0.919
  447   2HD1  ILE  30          2HD1      ILE  30   2.385  -5.186   2.462
  448   3HD1  ILE  30          3HD1      ILE  30   1.409  -6.287   1.489
  449    H    GLN  31           H        GLN  31   1.880 -11.307   1.782
  450    HA   GLN  31           HA       GLN  31  -0.372 -12.166   3.220
  451   1HB   GLN  31          1HB       GLN  31  -0.116 -12.518   0.801
  452   2HB   GLN  31          2HB       GLN  31   1.207 -13.638   1.099
  453   1HG   GLN  31          1HG       GLN  31  -0.325 -15.142   2.261
  454   2HG   GLN  31          2HG       GLN  31  -1.651 -14.019   1.965
  455   1HE2  GLN  31          1HE2      GLN  31  -2.915 -14.662   0.393
  456   2HE2  GLN  31          2HE2      GLN  31  -2.428 -15.491  -1.042
  457    H    ASP  32           H        ASP  32   2.940 -13.385   3.066
  458    HA   ASP  32           HA       ASP  32   2.517 -15.730   4.569
  459   1HB   ASP  32          1HB       ASP  32   4.537 -15.338   3.214
  460   2HB   ASP  32          2HB       ASP  32   5.033 -14.066   4.325
  461    H    LYS  33           H        LYS  33   3.342 -12.424   5.525
  462    HA   LYS  33           HA       LYS  33   3.775 -13.012   8.268
  463   1HB   LYS  33          1HB       LYS  33   3.097 -10.413   6.890
  464   2HB   LYS  33          2HB       LYS  33   3.557 -10.546   8.580
  465   1HG   LYS  33          1HG       LYS  33   5.286 -11.383   6.262
  466   2HG   LYS  33          2HG       LYS  33   5.408  -9.842   7.112
  467   1HD   LYS  33          1HD       LYS  33   5.778 -12.569   8.353
  468   2HD   LYS  33          2HD       LYS  33   7.074 -11.459   7.904
  469   1HE   LYS  33          1HE       LYS  33   6.222  -9.814   9.496
  470   2HE   LYS  33          2HE       LYS  33   4.911 -10.908   9.935
  471   1HZ   LYS  33          1HZ       LYS  33   6.871 -10.893  11.471
  472   2HZ   LYS  33          2HZ       LYS  33   7.773 -11.620  10.239
  473   3HZ   LYS  33          3HZ       LYS  33   6.432 -12.420  10.889
  474    H    GLU  34           H        GLU  34   1.127 -11.040   6.907
  475    HA   GLU  34           HA       GLU  34  -0.471 -11.419   9.248
  476   1HB   GLU  34          1HB       GLU  34  -1.208 -10.202   6.584
  477   2HB   GLU  34          2HB       GLU  34  -2.155 -10.086   8.061
  478   1HG   GLU  34          1HG       GLU  34   0.633  -9.006   7.708
  479   2HG   GLU  34          2HG       GLU  34  -0.848  -8.058   7.590
  480    H    GLY  35           H        GLY  35  -0.577 -12.719   5.954
  481   1HA   GLY  35          1HA       GLY  35  -1.474 -14.830   5.389
  482   2HA   GLY  35          2HA       GLY  35  -2.340 -14.846   6.921
  483    H    ILE  36           H        ILE  36  -2.224 -12.378   4.396
  484    HA   ILE  36           HA       ILE  36  -5.125 -12.723   3.983
  485    HB   ILE  36           HB       ILE  36  -3.639 -10.091   3.914
  486   1HG1  ILE  36          1HG1      ILE  36  -3.650 -10.932   6.200
  487   2HG1  ILE  36          2HG1      ILE  36  -4.773  -9.585   6.052
  488   1HG2  ILE  36          1HG2      ILE  36  -6.063  -9.254   4.136
  489   2HG2  ILE  36          2HG2      ILE  36  -6.512 -10.873   3.600
  490   3HG2  ILE  36          3HG2      ILE  36  -5.516  -9.847   2.567
  491   1HD1  ILE  36          1HD1      ILE  36  -6.260 -10.884   7.054
  492   2HD1  ILE  36          2HD1      ILE  36  -5.250 -12.316   6.857
  493   3HD1  ILE  36          3HD1      ILE  36  -6.332 -11.814   5.557
  494    HA   PRO  37           HA       PRO  37  -4.146 -13.347  -0.312
  495   1HB   PRO  37          1HB       PRO  37  -6.656 -11.809  -0.777
  496   2HB   PRO  37          2HB       PRO  37  -6.171 -13.387  -1.407
  497   1HG   PRO  37          1HG       PRO  37  -7.971 -13.207   0.543
  498   2HG   PRO  37          2HG       PRO  37  -6.752 -14.495   0.548
  499   1HD   PRO  37          1HD       PRO  37  -6.878 -11.994   2.175
  500   2HD   PRO  37          2HD       PRO  37  -6.305 -13.610   2.632
  501    HA   PRO  38           HA       PRO  38  -2.128  -9.507  -1.327
  502   1HB   PRO  38          1HB       PRO  38  -1.557 -10.096  -3.948
  503   2HB   PRO  38          2HB       PRO  38  -0.604 -10.659  -2.572
  504   1HG   PRO  38          1HG       PRO  38  -2.717 -12.094  -4.129
  505   2HG   PRO  38          2HG       PRO  38  -1.165 -12.701  -3.521
  506   1HD   PRO  38          1HD       PRO  38  -3.477 -13.247  -2.271
  507   2HD   PRO  38          2HD       PRO  38  -1.973 -12.973  -1.366
  508    H    ASP  39           H        ASP  39  -4.369 -10.827  -3.768
  509    HA   ASP  39           HA       ASP  39  -4.878  -8.456  -5.129
  510   1HB   ASP  39          1HB       ASP  39  -6.732 -10.803  -4.676
  511   2HB   ASP  39          2HB       ASP  39  -6.969  -9.547  -5.886
  512    H    GLN  40           H        GLN  40  -6.516  -9.826  -2.301
  513    HA   GLN  40           HA       GLN  40  -8.581  -7.947  -2.100
  514   1HB   GLN  40          1HB       GLN  40  -7.193  -9.489   0.098
  515   2HB   GLN  40          2HB       GLN  40  -8.727  -8.648   0.268
  516   1HG   GLN  40          1HG       GLN  40  -8.180 -10.967  -1.571
  517   2HG   GLN  40          2HG       GLN  40  -9.045 -11.039  -0.036
  518   1HE2  GLN  40          1HE2      GLN  40  -9.459 -10.997  -3.257
  519   2HE2  GLN  40          2HE2      GLN  40 -11.045 -10.318  -3.355
  520    H    GLN  41           H        GLN  41  -5.392  -7.991  -0.519
  521    HA   GLN  41           HA       GLN  41  -5.738  -5.539   0.849
  522   1HB   GLN  41          1HB       GLN  41  -3.169  -6.893   0.008
  523   2HB   GLN  41          2HB       GLN  41  -3.318  -5.630   1.221
  524   1HG   GLN  41          1HG       GLN  41  -4.680  -7.113   2.602
  525   2HG   GLN  41          2HG       GLN  41  -4.527  -8.381   1.385
  526   1HE2  GLN  41          1HE2      GLN  41  -3.057  -9.839   1.829
  527   2HE2  GLN  41          2HE2      GLN  41  -1.610  -9.596   2.740
  528    H    ARG  42           H        ARG  42  -5.417  -3.470   0.245
  529    HA   ARG  42           HA       ARG  42  -4.332  -3.006  -2.458
  530   1HB   ARG  42          1HB       ARG  42  -6.469  -1.447  -0.992
  531   2HB   ARG  42          2HB       ARG  42  -5.785  -0.995  -2.547
  532   1HG   ARG  42          1HG       ARG  42  -7.321  -3.521  -1.972
  533   2HG   ARG  42          2HG       ARG  42  -7.948  -2.092  -2.795
  534   1HD   ARG  42          1HD       ARG  42  -6.299  -2.385  -4.572
  535   2HD   ARG  42          2HD       ARG  42  -5.645  -3.796  -3.743
  536    HE   ARG  42           HE       ARG  42  -8.371  -4.227  -4.157
  537   1HH1  ARG  42          1HH1      ARG  42  -5.452  -3.866  -6.026
  538   2HH1  ARG  42          2HH1      ARG  42  -6.006  -4.871  -7.323
  539   1HH2  ARG  42          1HH2      ARG  42  -9.108  -5.549  -5.860
  540   2HH2  ARG  42          2HH2      ARG  42  -8.085  -5.825  -7.230
  541    H    LEU  43           H        LEU  43  -2.462  -1.969  -2.474
  542    HA   LEU  43           HA       LEU  43  -1.579  -0.535  -0.100
  543   1HB   LEU  43          1HB       LEU  43  -0.111  -1.186  -2.657
  544   2HB   LEU  43          2HB       LEU  43   0.604  -0.449  -1.235
  545    HG   LEU  43           HG       LEU  43  -0.568  -3.230  -1.365
  546   1HD1  LEU  43          1HD1      LEU  43   2.306  -2.350  -1.140
  547   2HD1  LEU  43          2HD1      LEU  43   1.545  -2.957  -2.611
  548   3HD1  LEU  43          3HD1      LEU  43   1.709  -4.008  -1.204
  549   1HD2  LEU  43          1HD2      LEU  43  -0.866  -2.588   0.844
  550   2HD2  LEU  43          2HD2      LEU  43   0.592  -1.597   0.860
  551   3HD2  LEU  43          3HD2      LEU  43   0.721  -3.356   0.873
  552    H    ILE  44           H        ILE  44  -1.300   1.618   0.050
  553    HA   ILE  44           HA       ILE  44  -1.694   3.246  -2.371
  554    HB   ILE  44           HB       ILE  44  -2.912   3.802   0.341
  555   1HG1  ILE  44          1HG1      ILE  44  -4.225   3.172  -2.313
  556   2HG1  ILE  44          2HG1      ILE  44  -4.064   2.041  -0.974
  557   1HG2  ILE  44          1HG2      ILE  44  -2.054   5.668  -1.443
  558   2HG2  ILE  44          2HG2      ILE  44  -3.376   5.905  -0.301
  559   3HG2  ILE  44          3HG2      ILE  44  -3.721   5.428  -1.963
  560   1HD1  ILE  44          1HD1      ILE  44  -6.130   2.739  -0.471
  561   2HD1  ILE  44          2HD1      ILE  44  -5.954   4.243  -1.374
  562   3HD1  ILE  44          3HD1      ILE  44  -5.293   4.111   0.256
  563    H    PHE  45           H        PHE  45  -0.375   5.003  -2.567
  564    HA   PHE  45           HA       PHE  45   1.069   6.085  -0.333
  565   1HB   PHE  45          1HB       PHE  45   2.385   4.046  -0.792
  566   2HB   PHE  45          2HB       PHE  45   2.620   4.581  -2.451
  567    HD1  PHE  45           HD1      PHE  45   2.890   6.329   0.838
  568    HD2  PHE  45           HD2      PHE  45   4.818   5.151  -2.770
  569    HE1  PHE  45           HE1      PHE  45   4.912   7.552   1.524
  570    HE2  PHE  45           HE2      PHE  45   6.844   6.372  -2.090
  571    HZ   PHE  45           HZ       PHE  45   6.892   7.573   0.059
  572    H    ALA  46           H        ALA  46   1.861   8.100  -0.739
  573    HA   ALA  46           HA       ALA  46   1.912  10.142  -1.754
  574   1HB   ALA  46          1HB       ALA  46   3.692  10.124  -3.079
  575   2HB   ALA  46          2HB       ALA  46   2.778   9.337  -4.365
  576   3HB   ALA  46          3HB       ALA  46   3.589   8.364  -3.138
  577    H    GLY  47           H        GLY  47  -0.615   8.932  -1.848
  578   1HA   GLY  47          1HA       GLY  47  -2.659   9.185  -2.856
  579   2HA   GLY  47          2HA       GLY  47  -1.941  10.540  -3.712
  580    H    LYS  48           H        LYS  48  -1.073   7.102  -3.884
  581    HA   LYS  48           HA       LYS  48  -2.314   6.817  -6.476
  582   1HB   LYS  48          1HB       LYS  48  -0.246   7.944  -7.097
  583   2HB   LYS  48          2HB       LYS  48   0.696   6.765  -6.194
  584   1HG   LYS  48          1HG       LYS  48  -0.044   5.006  -7.716
  585   2HG   LYS  48          2HG       LYS  48  -0.986   6.189  -8.623
  586   1HD   LYS  48          1HD       LYS  48   2.005   6.280  -8.238
  587   2HD   LYS  48          2HD       LYS  48   1.188   5.678  -9.681
  588   1HE   LYS  48          1HE       LYS  48   0.178   7.886 -10.020
  589   2HE   LYS  48          2HE       LYS  48   1.006   8.484  -8.583
  590   1HZ   LYS  48          1HZ       LYS  48   2.556   9.097 -10.060
  591   2HZ   LYS  48          2HZ       LYS  48   2.035   8.008 -11.245
  592   3HZ   LYS  48          3HZ       LYS  48   3.043   7.478  -9.994
  593    H    GLN  49           H        GLN  49  -2.861   4.764  -6.869
  594    HA   GLN  49           HA       GLN  49  -2.426   2.782  -4.859
  595   1HB   GLN  49          1HB       GLN  49  -3.710   2.613  -7.591
  596   2HB   GLN  49          2HB       GLN  49  -3.715   1.310  -6.410
  597   1HG   GLN  49          1HG       GLN  49  -4.874   4.036  -5.901
  598   2HG   GLN  49          2HG       GLN  49  -5.804   2.663  -6.497
  599   1HE2  GLN  49          1HE2      GLN  49  -3.664   1.193  -4.623
  600   2HE2  GLN  49          2HE2      GLN  49  -4.480   1.224  -3.102
  601    H    LEU  50           H        LEU  50  -0.942   1.211  -4.763
  602    HA   LEU  50           HA       LEU  50   1.242   1.190  -6.591
  603   1HB   LEU  50          1HB       LEU  50   0.472  -0.590  -4.288
  604   2HB   LEU  50          2HB       LEU  50   1.883  -0.912  -5.275
  605    HG   LEU  50           HG       LEU  50   2.482   0.231  -3.201
  606   1HD1  LEU  50          1HD1      LEU  50   3.587   0.663  -5.517
  607   2HD1  LEU  50          2HD1      LEU  50   4.023   1.659  -4.128
  608   3HD1  LEU  50          3HD1      LEU  50   2.891   2.274  -5.334
  609   1HD2  LEU  50          1HD2      LEU  50   1.834   2.614  -2.907
  610   2HD2  LEU  50          2HD2      LEU  50   0.492   1.482  -2.741
  611   3HD2  LEU  50          3HD2      LEU  50   0.680   2.417  -4.225
  612    H    GLU  51           H        GLU  51   1.602  -0.042  -8.338
  613    HA   GLU  51           HA       GLU  51  -0.513  -1.557  -9.478
  614   1HB   GLU  51          1HB       GLU  51   2.394  -1.475 -10.287
  615   2HB   GLU  51          2HB       GLU  51   1.051  -2.029 -11.279
  616   1HG   GLU  51          1HG       GLU  51   0.088   0.263 -11.134
  617   2HG   GLU  51          2HG       GLU  51   1.565   0.773 -10.319
  618    H    ASP  52           H        ASP  52   1.379  -3.615 -10.547
  619    HA   ASP  52           HA       ASP  52   2.107  -5.270  -8.330
  620   1HB   ASP  52          1HB       ASP  52  -0.356  -5.559  -8.332
  621   2HB   ASP  52          2HB       ASP  52  -0.268  -6.138  -9.993
  622    H    GLY  53           H        GLY  53   3.697  -4.416 -10.305
  623   1HA   GLY  53          1HA       GLY  53   4.904  -6.693 -11.299
  624   2HA   GLY  53          2HA       GLY  53   3.813  -6.150 -12.565
  625    H    ARG  54           H        ARG  54   5.773  -4.243 -10.294
  626    HA   ARG  54           HA       ARG  54   7.621  -3.476 -12.381
  627   1HB   ARG  54          1HB       ARG  54   5.643  -1.523 -11.217
  628   2HB   ARG  54          2HB       ARG  54   7.146  -1.015 -11.964
  629   1HG   ARG  54          1HG       ARG  54   6.440  -2.110 -14.060
  630   2HG   ARG  54          2HG       ARG  54   4.901  -2.512 -13.294
  631   1HD   ARG  54          1HD       ARG  54   4.485  -0.114 -12.926
  632   2HD   ARG  54          2HD       ARG  54   5.998   0.260 -13.747
  633    HE   ARG  54           HE       ARG  54   4.456  -1.298 -15.469
  634   1HH1  ARG  54          1HH1      ARG  54   4.357   1.849 -13.976
  635   2HH1  ARG  54          2HH1      ARG  54   3.447   2.572 -15.259
  636   1HH2  ARG  54          1HH2      ARG  54   3.257  -0.354 -17.165
  637   2HH2  ARG  54          2HH2      ARG  54   2.823   1.320 -17.074
  638    H    THR  55           H        THR  55   9.530  -2.679 -11.610
  639    HA   THR  55           HA       THR  55  10.182  -3.196  -8.904
  640    HB   THR  55           HB       THR  55  12.382  -2.235  -9.429
  641    HG1  THR  55           HG1      THR  55  12.444  -1.671 -11.883
  642   1HG2  THR  55          1HG2      THR  55  11.356  -3.935 -11.704
  643   2HG2  THR  55          2HG2      THR  55  11.831  -4.552 -10.121
  644   3HG2  THR  55          3HG2      THR  55  13.029  -3.788 -11.165
  645    H    LEU  56           H        LEU  56  10.299  -1.891  -7.158
  646    HA   LEU  56           HA       LEU  56   8.911   0.557  -7.130
  647   1HB   LEU  56          1HB       LEU  56  10.848  -0.561  -5.102
  648   2HB   LEU  56          2HB       LEU  56   9.770   0.795  -4.826
  649    HG   LEU  56           HG       LEU  56   8.950  -2.065  -5.341
  650   1HD1  LEU  56          1HD1      LEU  56   7.865  -1.379  -2.977
  651   2HD1  LEU  56          2HD1      LEU  56   9.347  -0.424  -2.930
  652   3HD1  LEU  56          3HD1      LEU  56   9.431  -2.172  -3.146
  653   1HD2  LEU  56          1HD2      LEU  56   6.859  -1.407  -5.738
  654   2HD2  LEU  56          2HD2      LEU  56   7.528   0.201  -6.013
  655   3HD2  LEU  56          3HD2      LEU  56   6.894  -0.230  -4.425
  656    H    SER  57           H        SER  57  12.174  -0.204  -7.872
  657    HA   SER  57           HA       SER  57  13.568   2.063  -7.159
  658   1HB   SER  57          1HB       SER  57  14.664   0.125  -8.155
  659   2HB   SER  57          2HB       SER  57  13.855   0.430  -9.692
  660    HG   SER  57           HG       SER  57  16.118   1.242  -9.343
  661    H    ASP  58           H        ASP  58  11.493   1.564  -9.982
  662    HA   ASP  58           HA       ASP  58  12.048   4.076 -11.187
  663   1HB   ASP  58          1HB       ASP  58  11.116   2.208 -12.473
  664   2HB   ASP  58          2HB       ASP  58   9.646   2.260 -11.505
  665    H    TYR  59           H        TYR  59   9.606   2.923  -8.935
  666    HA   TYR  59           HA       TYR  59   7.944   5.183  -8.918
  667   1HB   TYR  59          1HB       TYR  59   8.493   3.141  -6.757
  668   2HB   TYR  59          2HB       TYR  59   7.216   4.347  -6.669
  669    HD1  TYR  59           HD1      TYR  59   8.366   2.051  -9.402
  670    HD2  TYR  59           HD2      TYR  59   5.166   3.326  -6.904
  671    HE1  TYR  59           HE1      TYR  59   6.845   0.516 -10.575
  672    HE2  TYR  59           HE2      TYR  59   3.637   1.794  -8.071
  673    HH   TYR  59           HH       TYR  59   3.523   0.041  -9.502
  674    H    ASN  60           H        ASN  60  10.993   4.540  -7.380
  675    HA   ASN  60           HA       ASN  60  12.444   5.868  -6.237
  676   1HB   ASN  60          1HB       ASN  60  10.510   8.089  -6.941
  677   2HB   ASN  60          2HB       ASN  60  12.109   8.323  -6.246
  678   1HD2  ASN  60          1HD2      ASN  60  12.409   5.740  -8.226
  679   2HD2  ASN  60          2HD2      ASN  60  12.905   6.534  -9.675
  680    H    ILE  61           H        ILE  61  10.491   4.413  -4.855
  681    HA   ILE  61           HA       ILE  61   9.196   5.966  -2.861
  682    HB   ILE  61           HB       ILE  61   9.930   3.037  -2.817
  683   1HG1  ILE  61          1HG1      ILE  61   7.388   4.446  -3.659
  684   2HG1  ILE  61          2HG1      ILE  61   8.515   3.619  -4.727
  685   1HG2  ILE  61          1HG2      ILE  61   9.044   4.619  -0.727
  686   2HG2  ILE  61          2HG2      ILE  61   8.958   2.859  -0.818
  687   3HG2  ILE  61          3HG2      ILE  61   7.579   3.837  -1.321
  688   1HD1  ILE  61          1HD1      ILE  61   8.007   1.513  -3.477
  689   2HD1  ILE  61          2HD1      ILE  61   6.662   2.187  -4.396
  690   3HD1  ILE  61          3HD1      ILE  61   6.727   2.398  -2.646
  691    H    GLN  62           H        GLN  62   9.909   6.727  -0.968
  692    HA   GLN  62           HA       GLN  62  12.693   6.632  -0.340
  693   1HB   GLN  62          1HB       GLN  62  12.065   7.972   1.636
  694   2HB   GLN  62          2HB       GLN  62  11.400   8.629   0.147
  695   1HG   GLN  62          1HG       GLN  62   9.234   7.629   0.672
  696   2HG   GLN  62          2HG       GLN  62   9.903   6.974   2.167
  697   1HE2  GLN  62          1HE2      GLN  62   8.054   9.362   0.982
  698   2HE2  GLN  62          2HE2      GLN  62   8.317  10.580   2.179
  699    H    LYS  63           H        LYS  63  13.736   5.606   1.352
  700    HA   LYS  63           HA       LYS  63  12.872   3.056   2.066
  701   1HB   LYS  63          1HB       LYS  63  14.721   3.038   3.663
  702   2HB   LYS  63          2HB       LYS  63  15.222   3.737   2.130
  703   1HG   LYS  63          1HG       LYS  63  14.999   5.979   3.081
  704   2HG   LYS  63          2HG       LYS  63  14.509   5.271   4.621
  705   1HD   LYS  63          1HD       LYS  63  16.678   4.101   4.742
  706   2HD   LYS  63          2HD       LYS  63  17.164   4.886   3.237
  707   1HE   LYS  63          1HE       LYS  63  18.094   6.067   5.141
  708   2HE   LYS  63          2HE       LYS  63  16.909   7.077   4.314
  709   1HZ   LYS  63          1HZ       LYS  63  16.585   5.626   6.876
  710   2HZ   LYS  63          2HZ       LYS  63  15.274   6.267   6.023
  711   3HZ   LYS  63          3HZ       LYS  63  16.487   7.293   6.604
  712    H    GLU  64           H        GLU  64  11.975   2.173   3.918
  713    HA   GLU  64           HA       GLU  64  10.601   2.043   5.723
  714   1HB   GLU  64          1HB       GLU  64  11.823   4.717   6.439
  715   2HB   GLU  64          2HB       GLU  64  10.888   3.698   7.525
  716   1HG   GLU  64          1HG       GLU  64  12.584   1.955   7.360
  717   2HG   GLU  64          2HG       GLU  64  13.518   2.963   6.257
  718    H    SER  65           H        SER  65   9.515   3.007   3.344
  719    HA   SER  65           HA       SER  65   7.860   5.300   3.891
  720   1HB   SER  65          1HB       SER  65   6.881   4.844   1.681
  721   2HB   SER  65          2HB       SER  65   8.644   4.840   1.607
  722    HG   SER  65           HG       SER  65   8.610   2.800   1.082
  723    H    THR  66           H        THR  66   5.770   5.344   4.512
  724    HA   THR  66           HA       THR  66   4.604   2.832   5.437
  725    HB   THR  66           HB       THR  66   3.708   5.688   5.889
  726    HG1  THR  66           HG1      THR  66   5.395   5.508   7.203
  727   1HG2  THR  66          1HG2      THR  66   2.535   3.060   6.599
  728   2HG2  THR  66          2HG2      THR  66   1.745   4.605   6.282
  729   3HG2  THR  66          3HG2      THR  66   2.511   4.310   7.843
  730    H    LEU  67           H        LEU  67   3.091   1.796   4.300
  731    HA   LEU  67           HA       LEU  67   1.666   3.288   2.197
  732   1HB   LEU  67          1HB       LEU  67   2.438   0.381   2.370
  733   2HB   LEU  67          2HB       LEU  67   1.296   0.990   1.189
  734    HG   LEU  67           HG       LEU  67   3.096   2.487   0.308
  735   1HD1  LEU  67          1HD1      LEU  67   5.427   1.911   0.895
  736   2HD1  LEU  67          2HD1      LEU  67   4.815   0.898   2.203
  737   3HD1  LEU  67          3HD1      LEU  67   4.533   2.639   2.231
  738   1HD2  LEU  67          1HD2      LEU  67   2.945   0.738  -1.103
  739   2HD2  LEU  67          2HD2      LEU  67   3.068  -0.456   0.189
  740   3HD2  LEU  67          3HD2      LEU  67   4.522   0.329  -0.428
  741    H    HIS  68           H        HIS  68  -0.482   3.446   2.282
  742    HA   HIS  68           HA       HIS  68  -1.891   2.394   4.553
  743   1HB   HIS  68          1HB       HIS  68  -2.922   3.912   2.146
  744   2HB   HIS  68          2HB       HIS  68  -3.833   3.585   3.617
  745    HD1  HIS  68           HD1      HIS  68  -2.340   4.523   5.867
  746    HD2  HIS  68           HD2      HIS  68  -1.914   6.407   2.188
  747    HE1  HIS  68           HE1      HIS  68  -1.422   6.806   6.383
  748    HE2  HIS  68           HE2      HIS  68  -1.049   7.875   4.133
  749    H    LEU  69           H        LEU  69  -3.061   0.588   4.676
  750    HA   LEU  69           HA       LEU  69  -3.433  -0.984   2.224
  751   1HB   LEU  69          1HB       LEU  69  -2.148  -1.949   4.149
  752   2HB   LEU  69          2HB       LEU  69  -3.619  -1.896   5.097
  753    HG   LEU  69           HG       LEU  69  -3.427  -3.461   2.528
  754   1HD1  LEU  69          1HD1      LEU  69  -3.301  -4.957   5.037
  755   2HD1  LEU  69          2HD1      LEU  69  -1.868  -3.983   4.707
  756   3HD1  LEU  69          3HD1      LEU  69  -2.409  -5.183   3.533
  757   1HD2  LEU  69          1HD2      LEU  69  -5.453  -3.021   4.592
  758   2HD2  LEU  69          2HD2      LEU  69  -5.172  -4.721   4.216
  759   3HD2  LEU  69          3HD2      LEU  69  -5.628  -3.597   2.935
  760    H    VAL  70           H        VAL  70  -5.415  -1.571   1.509
  761    HA   VAL  70           HA       VAL  70  -7.750  -0.957   3.192
  762    HB   VAL  70           HB       VAL  70  -7.595  -0.355   0.231
  763   1HG1  VAL  70          1HG1      VAL  70  -9.830  -0.965   1.005
  764   2HG1  VAL  70          2HG1      VAL  70  -9.754   0.746   0.570
  765   3HG1  VAL  70          3HG1      VAL  70  -9.734   0.263   2.269
  766   1HG2  VAL  70          1HG2      VAL  70  -7.291   1.422   2.631
  767   2HG2  VAL  70          2HG2      VAL  70  -7.847   2.049   1.078
  768   3HG2  VAL  70          3HG2      VAL  70  -6.257   1.295   1.208
  769    H    LEU  71           H        LEU  71  -9.175  -2.583   3.294
  770    HA   LEU  71           HA       LEU  71  -8.642  -5.029   1.916
  771   1HB   LEU  71          1HB       LEU  71 -10.907  -4.193   3.723
  772   2HB   LEU  71          2HB       LEU  71 -10.752  -5.803   3.050
  773    HG   LEU  71           HG       LEU  71  -9.962  -5.822   5.318
  774   1HD1  LEU  71          1HD1      LEU  71  -8.137  -7.087   4.943
  775   2HD1  LEU  71          2HD1      LEU  71  -7.350  -5.860   3.950
  776   3HD1  LEU  71          3HD1      LEU  71  -8.615  -6.877   3.259
  777   1HD2  LEU  71          1HD2      LEU  71  -7.973  -3.699   4.530
  778   2HD2  LEU  71          2HD2      LEU  71  -8.155  -4.447   6.117
  779   3HD2  LEU  71          3HD2      LEU  71  -9.433  -3.413   5.477
  780    H    ARG  72           H        ARG  72  -9.479  -5.784   0.089
  781    HA   ARG  72           HA       ARG  72 -11.048  -4.140  -1.601
  782   1HB   ARG  72          1HB       ARG  72  -9.437  -5.844  -2.417
  783   2HB   ARG  72          2HB       ARG  72 -10.511  -7.107  -1.831
  784   1HG   ARG  72          1HG       ARG  72 -10.836  -6.882  -4.179
  785   2HG   ARG  72          2HG       ARG  72 -12.265  -6.241  -3.367
  786   1HD   ARG  72          1HD       ARG  72 -11.413  -3.969  -3.654
  787   2HD   ARG  72          2HD       ARG  72  -9.973  -4.604  -4.448
  788    HE   ARG  72           HE       ARG  72 -11.176  -4.678  -6.373
  789   1HH1  ARG  72          1HH1      ARG  72 -13.416  -4.857  -3.704
  790   2HH1  ARG  72          2HH1      ARG  72 -14.818  -4.882  -4.720
  791   1HH2  ARG  72          1HH2      ARG  72 -13.019  -4.712  -7.712
  792   2HH2  ARG  72          2HH2      ARG  72 -14.594  -4.797  -6.995
  793    H    LEU  73           H        LEU  73 -13.204  -4.232  -2.158
  794    HA   LEU  73           HA       LEU  73 -15.060  -4.971  -0.216
  795   1HB   LEU  73          1HB       LEU  73 -15.560  -3.321  -1.921
  796   2HB   LEU  73          2HB       LEU  73 -15.444  -4.538  -3.178
  797    HG   LEU  73           HG       LEU  73 -17.436  -5.664  -2.278
  798   1HD1  LEU  73          1HD1      LEU  73 -16.888  -4.444   0.068
  799   2HD1  LEU  73          2HD1      LEU  73 -18.458  -5.131  -0.347
  800   3HD1  LEU  73          3HD1      LEU  73 -18.171  -3.403  -0.548
  801   1HD2  LEU  73          1HD2      LEU  73 -17.429  -2.884  -3.255
  802   2HD2  LEU  73          2HD2      LEU  73 -18.950  -3.462  -2.574
  803   3HD2  LEU  73          3HD2      LEU  73 -18.202  -4.323  -3.920
  804    H    ARG  74           H        ARG  74 -16.250  -6.755   0.185
  805    HA   ARG  74           HA       ARG  74 -16.892  -8.931   0.191
  806   1HB   ARG  74          1HB       ARG  74 -16.411  -8.795  -2.791
  807   2HB   ARG  74          2HB       ARG  74 -17.391  -9.985  -1.946
  808   1HG   ARG  74          1HG       ARG  74 -17.965  -7.033  -2.091
  809   2HG   ARG  74          2HG       ARG  74 -18.755  -8.286  -3.049
  810   1HD   ARG  74          1HD       ARG  74 -19.618  -9.311  -1.011
  811   2HD   ARG  74          2HD       ARG  74 -18.804  -8.086  -0.039
  812    HE   ARG  74           HE       ARG  74 -20.479  -6.810  -1.892
  813   1HH1  ARG  74          1HH1      ARG  74 -20.678  -8.801   0.963
  814   2HH1  ARG  74          2HH1      ARG  74 -22.204  -8.152   1.463
  815   1HH2  ARG  74          1HH2      ARG  74 -22.486  -5.954  -1.241
  816   2HH2  ARG  74          2HH2      ARG  74 -23.233  -6.537   0.209
  817    H    GLY  75           H        GLY  75 -15.531 -10.532  -2.287
  818   1HA   GLY  75          1HA       GLY  75 -13.721 -11.919  -2.515
  819   2HA   GLY  75          2HA       GLY  75 -12.807 -10.735  -1.594
  820    H    GLY  76           H        GLY  76 -11.727 -11.894  -0.121
  821   1HA   GLY  76          1HA       GLY  76 -13.058 -12.990   2.105
  822   2HA   GLY  76          2HA       GLY  76 -12.578 -14.299   1.037
  Start of MODEL   10
    1   1H    TYR 255          1H        TYR 255  22.325   0.571   1.774
    2   2H    TYR 255          2H        TYR 255  23.513  -0.597   1.484
    3   3H    TYR 255          3H        TYR 255  23.868   0.747   2.447
    4    HA   TYR 255           HA       TYR 255  23.534  -1.246   3.772
    5   1HB   TYR 255          1HB       TYR 255  21.730  -0.207   5.255
    6   2HB   TYR 255          2HB       TYR 255  23.128   0.794   4.886
    7    HD1  TYR 255           HD1      TYR 255  22.707   2.991   4.384
    8    HD2  TYR 255           HD2      TYR 255  19.737   0.095   3.439
    9    HE1  TYR 255           HE1      TYR 255  21.223   4.781   3.590
   10    HE2  TYR 255           HE2      TYR 255  18.247   1.878   2.637
   11    HH   TYR 255           HH       TYR 255  19.158   5.290   2.891
   12    HA   PRO 256           HA       PRO 256  20.417  -4.095   2.470
   13   1HB   PRO 256          1HB       PRO 256  20.532  -5.355   5.095
   14   2HB   PRO 256          2HB       PRO 256  21.118  -5.960   3.545
   15   1HG   PRO 256          1HG       PRO 256  22.785  -5.217   5.546
   16   2HG   PRO 256          2HG       PRO 256  23.210  -5.052   3.832
   17   1HD   PRO 256          1HD       PRO 256  22.209  -2.970   5.745
   18   2HD   PRO 256          2HD       PRO 256  23.507  -2.856   4.534
   19    H    GLU 257           H        GLU 257  19.191  -1.748   3.230
   20    HA   GLU 257           HA       GLU 257  16.788  -2.770   4.518
   21   1HB   GLU 257          1HB       GLU 257  18.213  -0.276   5.463
   22   2HB   GLU 257          2HB       GLU 257  16.604  -0.771   5.971
   23   1HG   GLU 257          1HG       GLU 257  17.537  -2.799   6.960
   24   2HG   GLU 257          2HG       GLU 257  19.150  -2.306   6.447
   25    H    ASP 258           H        ASP 258  17.126  -2.313   1.859
   26    HA   ASP 258           HA       ASP 258  16.454   0.268   0.962
   27   1HB   ASP 258          1HB       ASP 258  15.921  -2.407  -0.349
   28   2HB   ASP 258          2HB       ASP 258  15.843  -0.842  -1.153
   29    H    GLU 259           H        GLU 259  14.575  -2.201   2.434
   30    HA   GLU 259           HA       GLU 259  12.049  -1.700   1.365
   31   1HB   GLU 259          1HB       GLU 259  12.493  -3.648   2.723
   32   2HB   GLU 259          2HB       GLU 259  12.855  -2.640   4.118
   33   1HG   GLU 259          1HG       GLU 259  10.671  -3.599   4.352
   34   2HG   GLU 259          2HG       GLU 259  10.534  -1.857   4.132
   35    H    GLU 260           H        GLU 260  13.588  -0.295   4.257
   36    HA   GLU 260           HA       GLU 260  11.410   1.376   4.923
   37   1HB   GLU 260          1HB       GLU 260  14.341   1.565   5.623
   38   2HB   GLU 260          2HB       GLU 260  13.109   2.618   6.301
   39   1HG   GLU 260          1HG       GLU 260  13.620   0.845   7.845
   40   2HG   GLU 260          2HG       GLU 260  11.972   0.663   7.248
   41    H    GLU 261           H        GLU 261  14.392   1.993   3.102
   42    HA   GLU 261           HA       GLU 261  13.983   4.729   2.656
   43   1HB   GLU 261          1HB       GLU 261  16.124   3.588   2.258
   44   2HB   GLU 261          2HB       GLU 261  15.414   2.725   0.901
   45   1HG   GLU 261          1HG       GLU 261  16.692   4.506   0.012
   46   2HG   GLU 261          2HG       GLU 261  14.994   4.939  -0.177
   47    H    LEU 262           H        LEU 262  12.989   1.900   0.777
   48    HA   LEU 262           HA       LEU 262  11.896   3.317  -1.405
   49   1HB   LEU 262          1HB       LEU 262  12.501   0.847  -1.271
   50   2HB   LEU 262          2HB       LEU 262  10.989   0.615  -0.420
   51    HG   LEU 262           HG       LEU 262  10.870   0.025  -2.819
   52   1HD1  LEU 262          1HD1      LEU 262   9.068   2.316  -2.790
   53   2HD1  LEU 262          2HD1      LEU 262   9.008   1.349  -1.316
   54   3HD1  LEU 262          3HD1      LEU 262   8.714   0.590  -2.881
   55   1HD2  LEU 262          1HD2      LEU 262  11.291   1.473  -4.527
   56   2HD2  LEU 262          2HD2      LEU 262  12.442   2.081  -3.338
   57   3HD2  LEU 262          3HD2      LEU 262  10.896   2.898  -3.566
   58    H    ILE 263           H        ILE 263  10.427   1.988   1.544
   59    HA   ILE 263           HA       ILE 263   7.775   2.657   1.012
   60    HB   ILE 263           HB       ILE 263   9.334   2.077   3.463
   61   1HG1  ILE 263          1HG1      ILE 263   6.708   1.050   2.385
   62   2HG1  ILE 263          2HG1      ILE 263   8.284   0.306   2.141
   63   1HG2  ILE 263          1HG2      ILE 263   7.431   2.559   4.942
   64   2HG2  ILE 263          2HG2      ILE 263   6.587   3.315   3.590
   65   3HG2  ILE 263          3HG2      ILE 263   8.081   4.023   4.202
   66   1HD1  ILE 263          1HD1      ILE 263   8.234   0.405   4.821
   67   2HD1  ILE 263          2HD1      ILE 263   7.635  -0.958   3.877
   68   3HD1  ILE 263          3HD1      ILE 263   6.510   0.257   4.483
   69    H    ARG 264           H        ARG 264  10.159   4.529   2.919
   70    HA   ARG 264           HA       ARG 264   8.472   6.733   3.335
   71   1HB   ARG 264          1HB       ARG 264  10.450   7.940   4.022
   72   2HB   ARG 264          2HB       ARG 264  10.469   6.313   4.682
   73   1HG   ARG 264          1HG       ARG 264  12.622   6.415   3.982
   74   2HG   ARG 264          2HG       ARG 264  11.888   5.860   2.477
   75   1HD   ARG 264          1HD       ARG 264  13.423   7.705   2.063
   76   2HD   ARG 264          2HD       ARG 264  11.765   8.168   1.679
   77    HE   ARG 264           HE       ARG 264  12.276   8.921   4.316
   78   1HH1  ARG 264          1HH1      ARG 264  13.358   9.728   1.102
   79   2HH1  ARG 264          2HH1      ARG 264  13.744  11.367   1.506
   80   1HH2  ARG 264          1HH2      ARG 264  12.781  11.074   4.856
   81   2HH2  ARG 264          2HH2      ARG 264  13.418  12.133   3.642
   82    H    LYS 265           H        LYS 265  10.773   6.014   0.750
   83    HA   LYS 265           HA       LYS 265  10.783   8.505  -0.516
   84   1HB   LYS 265          1HB       LYS 265  12.256   6.610  -1.154
   85   2HB   LYS 265          2HB       LYS 265  10.858   5.774  -1.819
   86   1HG   LYS 265          1HG       LYS 265  10.566   7.539  -3.469
   87   2HG   LYS 265          2HG       LYS 265  11.942   8.411  -2.791
   88   1HD   LYS 265          1HD       LYS 265  12.639   7.204  -4.766
   89   2HD   LYS 265          2HD       LYS 265  13.390   6.487  -3.339
   90   1HE   LYS 265          1HE       LYS 265  12.577   4.770  -4.871
   91   2HE   LYS 265          2HE       LYS 265  11.713   4.718  -3.335
   92   1HZ   LYS 265          1HZ       LYS 265  10.549   6.324  -5.479
   93   2HZ   LYS 265          2HZ       LYS 265   9.787   5.395  -4.288
   94   3HZ   LYS 265          3HZ       LYS 265  10.468   4.642  -5.641
   95    H    ALA 266           H        ALA 266   8.650   5.721  -0.871
   96    HA   ALA 266           HA       ALA 266   6.912   6.864  -2.785
   97   1HB   ALA 266          1HB       ALA 266   5.361   5.046  -1.452
   98   2HB   ALA 266          2HB       ALA 266   6.989   4.451  -1.125
   99   3HB   ALA 266          3HB       ALA 266   6.446   4.666  -2.789
  100    H    ILE 267           H        ILE 267   7.149   6.994   0.698
  101    HA   ILE 267           HA       ILE 267   4.596   7.955   1.303
  102    HB   ILE 267           HB       ILE 267   7.224   8.363   2.709
  103   1HG1  ILE 267          1HG1      ILE 267   4.788   6.673   3.326
  104   2HG1  ILE 267          2HG1      ILE 267   6.321   6.081   2.699
  105   1HG2  ILE 267          1HG2      ILE 267   6.332  10.003   3.911
  106   2HG2  ILE 267          2HG2      ILE 267   5.117   8.869   4.499
  107   3HG2  ILE 267          3HG2      ILE 267   4.794   9.840   3.062
  108   1HD1  ILE 267          1HD1      ILE 267   6.972   7.473   5.023
  109   2HD1  ILE 267          2HD1      ILE 267   6.939   5.724   4.789
  110   3HD1  ILE 267          3HD1      ILE 267   5.513   6.559   5.409
  111    H    GLU 268           H        GLU 268   7.598   9.714   0.582
  112    HA   GLU 268           HA       GLU 268   6.481  12.296   0.787
  113   1HB   GLU 268          1HB       GLU 268   8.871  11.336  -0.792
  114   2HB   GLU 268          2HB       GLU 268   8.471  13.024  -0.515
  115   1HG   GLU 268          1HG       GLU 268   8.715  12.672   1.898
  116   2HG   GLU 268          2HG       GLU 268   9.155  10.992   1.598
  117    H    LEU 269           H        LEU 269   6.919  10.083  -1.938
  118    HA   LEU 269           HA       LEU 269   6.108  11.758  -4.007
  119   1HB   LEU 269          1HB       LEU 269   5.660   8.787  -3.711
  120   2HB   LEU 269          2HB       LEU 269   5.497   9.683  -5.209
  121    HG   LEU 269           HG       LEU 269   8.063   9.398  -3.643
  122   1HD1  LEU 269          1HD1      LEU 269   6.886   7.411  -5.015
  123   2HD1  LEU 269          2HD1      LEU 269   8.634   7.618  -4.903
  124   3HD1  LEU 269          3HD1      LEU 269   7.765   8.205  -6.321
  125   1HD2  LEU 269          1HD2      LEU 269   7.361  11.356  -5.443
  126   2HD2  LEU 269          2HD2      LEU 269   8.199  10.173  -6.447
  127   3HD2  LEU 269          3HD2      LEU 269   9.006  10.865  -5.039
  128    H    SER 270           H        SER 270   4.139   9.632  -1.947
  129    HA   SER 270           HA       SER 270   1.671  10.217  -3.182
  130   1HB   SER 270          1HB       SER 270   0.655   9.267  -1.128
  131   2HB   SER 270          2HB       SER 270   1.936   8.244  -1.778
  132    HG   SER 270           HG       SER 270   1.878   8.781   0.603
  133    H    LEU 271           H        LEU 271   3.343  11.657  -0.412
  134    HA   LEU 271           HA       LEU 271   1.315  13.370   0.456
  135   1HB   LEU 271          1HB       LEU 271   4.306  13.783   0.512
  136   2HB   LEU 271          2HB       LEU 271   3.150  14.753   1.403
  137    HG   LEU 271           HG       LEU 271   3.635  11.799   1.806
  138   1HD1  LEU 271          1HD1      LEU 271   5.469  12.680   2.820
  139   2HD1  LEU 271          2HD1      LEU 271   4.308  12.886   4.132
  140   3HD1  LEU 271          3HD1      LEU 271   4.707  14.249   3.086
  141   1HD2  LEU 271          1HD2      LEU 271   1.672  11.758   2.839
  142   2HD2  LEU 271          2HD2      LEU 271   1.430  13.476   2.519
  143   3HD2  LEU 271          3HD2      LEU 271   2.277  12.961   3.978
  144    H    LYS 272           H        LYS 272   3.710  13.751  -2.099
  145    HA   LYS 272           HA       LYS 272   3.307  16.464  -2.655
  146   1HB   LYS 272          1HB       LYS 272   4.100  14.225  -4.525
  147   2HB   LYS 272          2HB       LYS 272   4.240  15.938  -4.893
  148   1HG   LYS 272          1HG       LYS 272   5.655  14.530  -2.638
  149   2HG   LYS 272          2HG       LYS 272   6.371  14.936  -4.198
  150   1HD   LYS 272          1HD       LYS 272   5.234  16.930  -2.237
  151   2HD   LYS 272          2HD       LYS 272   6.948  16.557  -2.425
  152   1HE   LYS 272          1HE       LYS 272   5.131  17.713  -4.539
  153   2HE   LYS 272          2HE       LYS 272   6.364  18.590  -3.634
  154   1HZ   LYS 272          1HZ       LYS 272   8.065  17.284  -4.652
  155   2HZ   LYS 272          2HZ       LYS 272   7.076  17.894  -5.881
  156   3HZ   LYS 272          3HZ       LYS 272   6.933  16.278  -5.405
  157    H    GLU 273           H        GLU 273   1.692  13.584  -3.956
  158    HA   GLU 273           HA       GLU 273   0.084  14.908  -5.842
  159   1HB   GLU 273          1HB       GLU 273   0.443  12.475  -5.834
  160   2HB   GLU 273          2HB       GLU 273  -0.481  12.343  -4.343
  161   1HG   GLU 273          1HG       GLU 273  -1.831  11.695  -6.237
  162   2HG   GLU 273          2HG       GLU 273  -2.468  13.166  -5.503
  163    H    SER 274           H        SER 274  -0.595  13.945  -2.486
  164    HA   SER 274           HA       SER 274  -3.236  14.867  -2.375
  165   1HB   SER 274          1HB       SER 274  -2.965  14.836   0.065
  166   2HB   SER 274          2HB       SER 274  -2.243  13.399  -0.659
  167    HG   SER 274           HG       SER 274  -1.084  15.328   0.829
  168    H    ARG 275           H        ARG 275  -0.173  16.492  -1.802
  169    HA   ARG 275           HA       ARG 275   0.421  18.676  -1.711
  170   1HB   ARG 275          1HB       ARG 275  -0.873  18.940  -3.754
  171   2HB   ARG 275          2HB       ARG 275  -2.353  19.124  -2.824
  172   1HG   ARG 275          1HG       ARG 275  -1.600  21.276  -3.593
  173   2HG   ARG 275          2HG       ARG 275  -1.450  21.191  -1.837
  174   1HD   ARG 275          1HD       ARG 275   0.939  20.715  -2.065
  175   2HD   ARG 275          2HD       ARG 275   0.788  20.787  -3.820
  176    HE   ARG 275           HE       ARG 275  -0.169  23.188  -2.758
  177   1HH1  ARG 275          1HH1      ARG 275   2.837  21.448  -3.067
  178   2HH1  ARG 275          2HH1      ARG 275   3.809  22.881  -3.087
  179   1HH2  ARG 275          1HH2      ARG 275   1.106  25.075  -2.786
  180   2HH2  ARG 275          2HH2      ARG 275   2.827  24.939  -2.930
  181    H    ASN 276           H        ASN 276  -3.027  19.182  -1.007
  182    HA   ASN 276           HA       ASN 276  -4.070  20.156   0.767
  183   1HB   ASN 276          1HB       ASN 276  -1.957  18.616   2.293
  184   2HB   ASN 276          2HB       ASN 276  -3.386  19.350   3.015
  185   1HD2  ASN 276          1HD2      ASN 276  -4.989  18.009   3.352
  186   2HD2  ASN 276          2HD2      ASN 276  -5.339  16.582   2.443
  187    H    SER 277           H        SER 277  -2.402  21.883  -0.489
  188    HA   SER 277           HA       SER 277  -1.344  23.881  -0.268
  189   1HB   SER 277          1HB       SER 277  -2.336  23.664   2.585
  190   2HB   SER 277          2HB       SER 277  -1.678  25.127   1.851
  191    HG   SER 277           HG       SER 277  -4.098  23.797   1.319
  192    H    ALA 278           H        ALA 278   0.303  21.708  -0.187
  193    HA   ALA 278           HA       ALA 278   2.040  21.538   2.009
  194   1HB   ALA 278          1HB       ALA 278   2.599  20.969  -0.900
  195   2HB   ALA 278          2HB       ALA 278   1.961  19.828   0.285
  196   3HB   ALA 278          3HB       ALA 278   3.601  20.454   0.457
  197   1H    MET   1          1H        MET   1 -15.165  -1.594  -0.946
  198   2H    MET   1          2H        MET   1 -16.674  -2.167  -1.450
  199   3H    MET   1          3H        MET   1 -16.517  -0.579  -0.887
  200    HA   MET   1           HA       MET   1 -16.583  -1.176  -3.445
  201   1HB   MET   1          1HB       MET   1 -15.565   1.009  -3.818
  202   2HB   MET   1          2HB       MET   1 -16.600   1.055  -2.401
  203   1HG   MET   1          1HG       MET   1 -13.604   0.779  -2.324
  204   2HG   MET   1          2HG       MET   1 -14.484   2.292  -2.127
  205   1HE   MET   1          1HE       MET   1 -13.214   1.634   1.498
  206   2HE   MET   1          2HE       MET   1 -13.226   2.736   0.121
  207   3HE   MET   1          3HE       MET   1 -12.346   1.211   0.023
  208    H    GLN   2           H        GLN   2 -13.922   0.221  -4.215
  209    HA   GLN   2           HA       GLN   2 -12.007  -1.927  -3.919
  210   1HB   GLN   2          1HB       GLN   2 -11.717  -2.316  -6.304
  211   2HB   GLN   2          2HB       GLN   2 -13.366  -2.687  -5.824
  212   1HG   GLN   2          1HG       GLN   2 -12.480  -0.142  -7.165
  213   2HG   GLN   2          2HG       GLN   2 -13.236  -1.512  -7.974
  214   1HE2  GLN   2          1HE2      GLN   2 -13.824   1.459  -6.850
  215   2HE2  GLN   2          2HE2      GLN   2 -15.505   1.328  -6.477
  216    H    ILE   3           H        ILE   3  -9.926  -1.262  -4.157
  217    HA   ILE   3           HA       ILE   3  -9.513   1.542  -4.972
  218    HB   ILE   3           HB       ILE   3  -7.692   1.675  -3.314
  219   1HG1  ILE   3          1HG1      ILE   3  -8.724  -1.015  -2.382
  220   2HG1  ILE   3          2HG1      ILE   3  -7.186  -0.743  -3.194
  221   1HG2  ILE   3          1HG2      ILE   3 -10.487   1.076  -2.423
  222   2HG2  ILE   3          2HG2      ILE   3  -9.667   2.632  -2.552
  223   3HG2  ILE   3          3HG2      ILE   3  -9.240   1.515  -1.256
  224   1HD1  ILE   3          1HD1      ILE   3  -8.005  -0.106  -0.411
  225   2HD1  ILE   3          2HD1      ILE   3  -6.791   0.906  -1.193
  226   3HD1  ILE   3          3HD1      ILE   3  -6.514  -0.827  -1.017
  227    H    PHE   4           H        PHE   4  -7.599   2.045  -6.066
  228    HA   PHE   4           HA       PHE   4  -6.462  -0.167  -7.552
  229   1HB   PHE   4          1HB       PHE   4  -6.497   2.780  -7.829
  230   2HB   PHE   4          2HB       PHE   4  -5.062   1.965  -8.440
  231    HD1  PHE   4           HD1      PHE   4  -8.709   2.298  -8.801
  232    HD2  PHE   4           HD2      PHE   4  -5.134   0.627 -10.394
  233    HE1  PHE   4           HE1      PHE   4  -9.902   1.731 -10.878
  234    HE2  PHE   4           HE2      PHE   4  -6.317   0.057 -12.473
  235    HZ   PHE   4           HZ       PHE   4  -8.704   0.614 -12.719
  236    H    VAL   5           H        VAL   5  -4.436  -0.956  -7.399
  237    HA   VAL   5           HA       VAL   5  -2.743   0.139  -5.252
  238    HB   VAL   5           HB       VAL   5  -2.744  -2.678  -6.349
  239   1HG1  VAL   5          1HG1      VAL   5  -1.245  -3.216  -4.559
  240   2HG1  VAL   5          2HG1      VAL   5  -1.380  -1.588  -3.893
  241   3HG1  VAL   5          3HG1      VAL   5  -0.580  -1.842  -5.444
  242   1HG2  VAL   5          1HG2      VAL   5  -3.575  -3.070  -3.883
  243   2HG2  VAL   5          2HG2      VAL   5  -4.711  -2.674  -5.172
  244   3HG2  VAL   5          3HG2      VAL   5  -4.170  -1.419  -4.057
  245    H    LYS   6           H        LYS   6  -1.176   1.356  -6.117
  246    HA   LYS   6           HA       LYS   6  -0.143   0.747  -8.762
  247   1HB   LYS   6          1HB       LYS   6  -0.617   3.099  -8.034
  248   2HB   LYS   6          2HB       LYS   6   0.705   2.956  -6.882
  249   1HG   LYS   6          1HG       LYS   6   2.212   2.442  -8.823
  250   2HG   LYS   6          2HG       LYS   6   0.870   2.874  -9.884
  251   1HD   LYS   6          1HD       LYS   6   2.258   4.801  -9.661
  252   2HD   LYS   6          2HD       LYS   6   0.790   5.096  -8.727
  253   1HE   LYS   6          1HE       LYS   6   2.765   5.811  -7.493
  254   2HE   LYS   6          2HE       LYS   6   1.967   4.467  -6.679
  255   1HZ   LYS   6          1HZ       LYS   6   3.905   3.426  -6.704
  256   2HZ   LYS   6          2HZ       LYS   6   4.618   4.635  -7.649
  257   3HZ   LYS   6          3HZ       LYS   6   3.819   3.343  -8.393
  258    H    THR   7           H        THR   7   1.612  -0.421  -9.121
  259    HA   THR   7           HA       THR   7   3.187  -1.390  -6.921
  260    HB   THR   7           HB       THR   7   4.475  -2.603  -8.681
  261    HG1  THR   7           HG1      THR   7   3.580  -2.511 -10.823
  262   1HG2  THR   7          1HG2      THR   7   2.859  -4.241  -8.971
  263   2HG2  THR   7          2HG2      THR   7   1.561  -3.067  -9.188
  264   3HG2  THR   7          3HG2      THR   7   2.235  -3.351  -7.580
  265    H    LEU   8           H        LEU   8   5.353  -0.960  -6.506
  266    HA   LEU   8           HA       LEU   8   6.278   1.604  -6.743
  267   1HB   LEU   8          1HB       LEU   8   7.198  -0.245  -5.293
  268   2HB   LEU   8          2HB       LEU   8   8.064  -0.830  -6.697
  269    HG   LEU   8           HG       LEU   8   9.408   0.543  -5.061
  270   1HD1  LEU   8          1HD1      LEU   8  10.792   1.323  -6.698
  271   2HD1  LEU   8          2HD1      LEU   8   9.466   1.947  -7.680
  272   3HD1  LEU   8          3HD1      LEU   8   9.792   0.214  -7.638
  273   1HD2  LEU   8          1HD2      LEU   8   8.577   3.080  -6.179
  274   2HD2  LEU   8          2HD2      LEU   8   8.840   2.614  -4.498
  275   3HD2  LEU   8          3HD2      LEU   8   7.283   2.304  -5.266
  276    H    THR   9           H        THR   9   6.676  -1.056  -9.006
  277    HA   THR   9           HA       THR   9   8.545   0.168 -10.721
  278    HB   THR   9           HB       THR   9   7.781  -1.447 -12.428
  279    HG1  THR   9           HG1      THR   9   5.880  -2.279 -10.475
  280   1HG2  THR   9          1HG2      THR   9   7.892  -3.476 -10.581
  281   2HG2  THR   9          2HG2      THR   9   8.656  -2.136  -9.727
  282   3HG2  THR   9          3HG2      THR   9   9.286  -2.660 -11.289
  283    H    GLY  10           H        GLY  10   4.980   0.120 -10.760
  284   1HA   GLY  10          1HA       GLY  10   4.120   2.421 -11.446
  285   2HA   GLY  10          2HA       GLY  10   5.077   2.155 -12.894
  286    H    LYS  11           H        LYS  11   2.685   0.274 -11.001
  287    HA   LYS  11           HA       LYS  11   0.976   0.125 -13.344
  288   1HB   LYS  11          1HB       LYS  11   2.565  -1.764 -13.609
  289   2HB   LYS  11          2HB       LYS  11   2.043  -2.392 -12.053
  290   1HG   LYS  11          1HG       LYS  11   0.943  -3.605 -13.806
  291   2HG   LYS  11          2HG       LYS  11  -0.245  -2.623 -12.949
  292   1HD   LYS  11          1HD       LYS  11  -0.152  -0.948 -14.714
  293   2HD   LYS  11          2HD       LYS  11   1.066  -1.898 -15.567
  294   1HE   LYS  11          1HE       LYS  11  -1.134  -2.243 -16.548
  295   2HE   LYS  11          2HE       LYS  11  -0.543  -3.730 -15.808
  296   1HZ   LYS  11          1HZ       LYS  11  -2.440  -3.796 -14.692
  297   2HZ   LYS  11          2HZ       LYS  11  -2.897  -2.258 -15.228
  298   3HZ   LYS  11          3HZ       LYS  11  -1.951  -2.421 -13.835
  299    H    THR  12           H        THR  12  -0.917   0.715 -12.548
  300    HA   THR  12           HA       THR  12  -1.658   0.093  -9.809
  301    HB   THR  12           HB       THR  12  -3.626   1.515 -10.244
  302    HG1  THR  12           HG1      THR  12  -3.317   2.730 -12.393
  303   1HG2  THR  12          1HG2      THR  12  -1.662   3.341 -11.310
  304   2HG2  THR  12          2HG2      THR  12  -0.956   2.314 -10.062
  305   3HG2  THR  12          3HG2      THR  12  -2.384   3.286  -9.702
  306    H    ILE  13           H        ILE  13  -3.324  -1.248  -9.196
  307    HA   ILE  13           HA       ILE  13  -4.885  -2.555 -11.307
  308    HB   ILE  13           HB       ILE  13  -3.356  -4.062  -9.183
  309   1HG1  ILE  13          1HG1      ILE  13  -3.117  -4.040 -12.202
  310   2HG1  ILE  13          2HG1      ILE  13  -1.962  -3.347 -11.068
  311   1HG2  ILE  13          1HG2      ILE  13  -5.262  -5.323  -9.343
  312   2HG2  ILE  13          2HG2      ILE  13  -4.319  -6.018 -10.662
  313   3HG2  ILE  13          3HG2      ILE  13  -5.579  -4.831 -11.008
  314   1HD1  ILE  13          1HD1      ILE  13  -1.443  -5.550 -10.215
  315   2HD1  ILE  13          2HD1      ILE  13  -1.221  -5.495 -11.964
  316   3HD1  ILE  13          3HD1      ILE  13  -2.652  -6.267 -11.280
  317    H    THR  14           H        THR  14  -6.961  -2.813 -10.798
  318    HA   THR  14           HA       THR  14  -8.046  -1.735  -8.426
  319    HB   THR  14           HB       THR  14  -9.382  -3.591 -10.408
  320    HG1  THR  14           HG1      THR  14  -8.961  -1.868 -11.619
  321   1HG2  THR  14          1HG2      THR  14 -10.594  -1.616  -8.471
  322   2HG2  THR  14          2HG2      THR  14 -10.572  -3.366  -8.253
  323   3HG2  THR  14          3HG2      THR  14 -11.468  -2.655  -9.596
  324    H    LEU  15           H        LEU  15  -8.741  -2.657  -6.555
  325    HA   LEU  15           HA       LEU  15  -8.764  -5.568  -6.323
  326   1HB   LEU  15          1HB       LEU  15  -6.477  -4.542  -5.675
  327   2HB   LEU  15          2HB       LEU  15  -7.310  -3.935  -4.258
  328    HG   LEU  15           HG       LEU  15  -6.086  -6.008  -3.787
  329   1HD1  LEU  15          1HD1      LEU  15  -8.265  -5.414  -2.642
  330   2HD1  LEU  15          2HD1      LEU  15  -7.761  -7.102  -2.558
  331   3HD1  LEU  15          3HD1      LEU  15  -9.024  -6.614  -3.688
  332   1HD2  LEU  15          1HD2      LEU  15  -7.288  -8.118  -4.785
  333   2HD2  LEU  15          2HD2      LEU  15  -6.006  -7.297  -5.675
  334   3HD2  LEU  15          3HD2      LEU  15  -7.695  -6.999  -6.085
  335    H    GLU  16           H        GLU  16 -10.677  -6.053  -5.504
  336    HA   GLU  16           HA       GLU  16 -12.351  -4.152  -4.220
  337   1HB   GLU  16          1HB       GLU  16 -13.181  -6.036  -5.607
  338   2HB   GLU  16          2HB       GLU  16 -12.651  -7.158  -4.368
  339   1HG   GLU  16          1HG       GLU  16 -14.526  -4.994  -3.590
  340   2HG   GLU  16          2HG       GLU  16 -15.141  -6.343  -4.540
  341    H    VAL  17           H        VAL  17 -12.607  -3.671  -2.140
  342    HA   VAL  17           HA       VAL  17 -11.842  -5.537  -0.056
  343    HB   VAL  17           HB       VAL  17 -10.457  -3.821   1.135
  344   1HG1  VAL  17          1HG1      VAL  17  -9.431  -5.705  -0.040
  345   2HG1  VAL  17          2HG1      VAL  17  -8.416  -4.264  -0.114
  346   3HG1  VAL  17          3HG1      VAL  17  -9.367  -4.746  -1.519
  347   1HG2  VAL  17          1HG2      VAL  17 -11.042  -1.791   0.100
  348   2HG2  VAL  17          2HG2      VAL  17 -10.706  -2.423  -1.513
  349   3HG2  VAL  17          3HG2      VAL  17  -9.379  -2.104  -0.396
  350    H    GLU  18           H        GLU  18 -13.260  -5.432   1.542
  351    HA   GLU  18           HA       GLU  18 -15.309  -3.429   1.553
  352   1HB   GLU  18          1HB       GLU  18 -14.734  -5.646   3.529
  353   2HB   GLU  18          2HB       GLU  18 -16.201  -4.679   3.480
  354   1HG   GLU  18          1HG       GLU  18 -15.247  -6.508   1.287
  355   2HG   GLU  18          2HG       GLU  18 -16.494  -6.892   2.472
  356    H    SER  19           H        SER  19 -15.652  -1.787   3.016
  357    HA   SER  19           HA       SER  19 -13.487  -0.467   4.122
  358   1HB   SER  19          1HB       SER  19 -16.382  -0.333   5.003
  359   2HB   SER  19          2HB       SER  19 -15.141   0.856   5.398
  360    HG   SER  19           HG       SER  19 -15.680   1.754   3.584
  361    H    SER  20           H        SER  20 -15.752  -2.699   5.680
  362    HA   SER  20           HA       SER  20 -14.602  -2.500   8.271
  363   1HB   SER  20          1HB       SER  20 -16.299  -4.711   7.088
  364   2HB   SER  20          2HB       SER  20 -15.970  -4.470   8.804
  365    HG   SER  20           HG       SER  20 -17.232  -2.547   7.144
  366    H    ASP  21           H        ASP  21 -13.983  -4.500   5.473
  367    HA   ASP  21           HA       ASP  21 -12.579  -6.609   6.561
  368   1HB   ASP  21          1HB       ASP  21 -13.193  -6.359   4.158
  369   2HB   ASP  21          2HB       ASP  21 -11.889  -5.188   3.983
  370    H    THR  22           H        THR  22 -10.649  -6.907   7.463
  371    HA   THR  22           HA       THR  22  -9.086  -4.669   8.284
  372    HB   THR  22           HB       THR  22  -7.620  -6.306   9.353
  373    HG1  THR  22           HG1      THR  22  -7.513  -8.275   8.593
  374   1HG2  THR  22          1HG2      THR  22 -10.515  -6.242   9.708
  375   2HG2  THR  22          2HG2      THR  22  -9.227  -6.150  10.909
  376   3HG2  THR  22          3HG2      THR  22  -9.777  -7.720  10.324
  377    H    ILE  23           H        ILE  23  -6.882  -4.244   7.821
  378    HA   ILE  23           HA       ILE  23  -6.169  -4.209   5.141
  379    HB   ILE  23           HB       ILE  23  -4.361  -4.082   7.558
  380   1HG1  ILE  23          1HG1      ILE  23  -6.083  -2.322   7.470
  381   2HG1  ILE  23          2HG1      ILE  23  -4.470  -1.660   7.235
  382   1HG2  ILE  23          1HG2      ILE  23  -3.318  -4.667   5.271
  383   2HG2  ILE  23          2HG2      ILE  23  -2.604  -3.365   6.221
  384   3HG2  ILE  23          3HG2      ILE  23  -3.660  -2.986   4.861
  385   1HD1  ILE  23          1HD1      ILE  23  -6.770  -1.717   5.428
  386   2HD1  ILE  23          2HD1      ILE  23  -5.223  -2.103   4.675
  387   3HD1  ILE  23          3HD1      ILE  23  -5.429  -0.576   5.533
  388    H    ASP  24           H        ASP  24  -5.286  -6.517   7.675
  389    HA   ASP  24           HA       ASP  24  -3.385  -8.021   6.346
  390   1HB   ASP  24          1HB       ASP  24  -4.026  -8.339   8.718
  391   2HB   ASP  24          2HB       ASP  24  -5.541  -9.069   8.197
  392    H    ASN  25           H        ASN  25  -6.920  -8.467   6.311
  393    HA   ASN  25           HA       ASN  25  -6.976 -10.673   4.588
  394   1HB   ASN  25          1HB       ASN  25  -8.927  -9.889   5.902
  395   2HB   ASN  25          2HB       ASN  25  -9.054  -8.487   4.844
  396   1HD2  ASN  25          1HD2      ASN  25 -10.282 -11.445   5.445
  397   2HD2  ASN  25          2HD2      ASN  25 -10.906 -11.835   3.882
  398    H    VAL  26           H        VAL  26  -6.968  -7.201   3.941
  399    HA   VAL  26           HA       VAL  26  -7.416  -7.232   1.196
  400    HB   VAL  26           HB       VAL  26  -5.572  -5.377   2.718
  401   1HG1  VAL  26          1HG1      VAL  26  -6.508  -3.856   0.745
  402   2HG1  VAL  26          2HG1      VAL  26  -6.573  -5.418  -0.072
  403   3HG1  VAL  26          3HG1      VAL  26  -5.044  -4.825   0.577
  404   1HG2  VAL  26          1HG2      VAL  26  -8.024  -5.617   3.462
  405   2HG2  VAL  26          2HG2      VAL  26  -8.411  -4.789   1.954
  406   3HG2  VAL  26          3HG2      VAL  26  -7.398  -3.997   3.160
  407    H    LYS  27           H        LYS  27  -4.416  -7.613   3.029
  408    HA   LYS  27           HA       LYS  27  -2.659  -7.774   0.840
  409   1HB   LYS  27          1HB       LYS  27  -2.469  -8.950   3.618
  410   2HB   LYS  27          2HB       LYS  27  -1.153  -8.978   2.454
  411   1HG   LYS  27          1HG       LYS  27  -2.454  -6.498   3.560
  412   2HG   LYS  27          2HG       LYS  27  -0.909  -7.172   4.081
  413   1HD   LYS  27          1HD       LYS  27  -0.048  -6.882   1.781
  414   2HD   LYS  27          2HD       LYS  27  -1.577  -6.123   1.331
  415   1HE   LYS  27          1HE       LYS  27   0.110  -4.437   1.810
  416   2HE   LYS  27          2HE       LYS  27  -1.193  -4.369   2.996
  417   1HZ   LYS  27          1HZ       LYS  27   1.459  -4.508   3.560
  418   2HZ   LYS  27          2HZ       LYS  27   0.949  -6.105   3.784
  419   3HZ   LYS  27          3HZ       LYS  27   0.205  -4.852   4.643
  420    H    SER  28           H        SER  28  -4.532 -10.217   2.578
  421    HA   SER  28           HA       SER  28  -3.484 -12.510   1.383
  422   1HB   SER  28          1HB       SER  28  -6.330 -11.992   2.286
  423   2HB   SER  28          2HB       SER  28  -5.642 -13.582   1.954
  424    HG   SER  28           HG       SER  28  -3.968 -12.619   3.602
  425    H    LYS  29           H        LYS  29  -6.167 -10.431   0.337
  426    HA   LYS  29           HA       LYS  29  -6.878 -11.904  -1.947
  427   1HB   LYS  29          1HB       LYS  29  -7.133  -8.939  -1.409
  428   2HB   LYS  29          2HB       LYS  29  -7.919  -9.787  -2.733
  429   1HG   LYS  29          1HG       LYS  29  -9.142 -11.159  -1.103
  430   2HG   LYS  29          2HG       LYS  29  -8.384 -10.251   0.206
  431   1HD   LYS  29          1HD       LYS  29  -9.414  -8.199  -0.609
  432   2HD   LYS  29          2HD       LYS  29 -10.140  -9.082  -1.954
  433   1HE   LYS  29          1HE       LYS  29 -10.695  -9.522   0.979
  434   2HE   LYS  29          2HE       LYS  29 -11.762  -8.719  -0.172
  435   1HZ   LYS  29          1HZ       LYS  29 -10.864 -11.523  -0.510
  436   2HZ   LYS  29          2HZ       LYS  29 -12.120 -10.730  -1.319
  437   3HZ   LYS  29          3HZ       LYS  29 -12.279 -11.110   0.321
  438    H    ILE  30           H        ILE  30  -4.639  -9.182  -1.518
  439    HA   ILE  30           HA       ILE  30  -3.890  -8.882  -4.201
  440    HB   ILE  30           HB       ILE  30  -2.200  -8.396  -1.734
  441   1HG1  ILE  30          1HG1      ILE  30  -3.946  -6.500  -3.325
  442   2HG1  ILE  30          2HG1      ILE  30  -4.337  -7.155  -1.739
  443   1HG2  ILE  30          1HG2      ILE  30  -1.799  -6.856  -4.233
  444   2HG2  ILE  30          2HG2      ILE  30  -1.222  -8.523  -4.214
  445   3HG2  ILE  30          3HG2      ILE  30  -0.630  -7.372  -3.016
  446   1HD1  ILE  30          1HD1      ILE  30  -2.477  -5.979  -0.754
  447   2HD1  ILE  30          2HD1      ILE  30  -3.492  -4.850  -1.652
  448   3HD1  ILE  30          3HD1      ILE  30  -1.966  -5.402  -2.341
  449    H    GLN  31           H        GLN  31  -2.756 -11.050  -1.680
  450    HA   GLN  31           HA       GLN  31  -0.502 -12.077  -3.027
  451   1HB   GLN  31          1HB       GLN  31  -0.842 -12.393  -0.626
  452   2HB   GLN  31          2HB       GLN  31  -2.270 -13.369  -0.939
  453   1HG   GLN  31          1HG       GLN  31  -0.813 -14.993  -2.137
  454   2HG   GLN  31          2HG       GLN  31   0.580 -14.049  -1.617
  455   1HE2  GLN  31          1HE2      GLN  31  -1.733 -13.862   0.751
  456   2HE2  GLN  31          2HE2      GLN  31  -1.180 -15.136   1.776
  457    H    ASP  32           H        ASP  32  -3.892 -13.079  -2.933
  458    HA   ASP  32           HA       ASP  32  -3.592 -15.456  -4.410
  459   1HB   ASP  32          1HB       ASP  32  -5.589 -14.933  -3.064
  460   2HB   ASP  32          2HB       ASP  32  -6.014 -13.655  -4.197
  461    H    LYS  33           H        LYS  33  -4.424 -12.156  -5.450
  462    HA   LYS  33           HA       LYS  33  -4.653 -12.896  -8.208
  463   1HB   LYS  33          1HB       LYS  33  -5.870 -10.979  -7.162
  464   2HB   LYS  33          2HB       LYS  33  -4.336 -10.130  -7.032
  465   1HG   LYS  33          1HG       LYS  33  -4.092 -10.184  -9.460
  466   2HG   LYS  33          2HG       LYS  33  -5.635 -11.031  -9.594
  467   1HD   LYS  33          1HD       LYS  33  -6.769  -9.118  -8.567
  468   2HD   LYS  33          2HD       LYS  33  -5.225  -8.272  -8.441
  469   1HE   LYS  33          1HE       LYS  33  -6.572  -9.156 -10.991
  470   2HE   LYS  33          2HE       LYS  33  -6.481  -7.504 -10.381
  471   1HZ   LYS  33          1HZ       LYS  33  -4.615  -7.325 -11.544
  472   2HZ   LYS  33          2HZ       LYS  33  -4.556  -8.983 -11.870
  473   3HZ   LYS  33          3HZ       LYS  33  -3.885  -8.379 -10.440
  474    H    GLU  34           H        GLU  34  -2.356 -10.730  -6.555
  475    HA   GLU  34           HA       GLU  34  -0.578 -10.587  -8.746
  476   1HB   GLU  34          1HB       GLU  34  -0.020  -9.996  -5.838
  477   2HB   GLU  34          2HB       GLU  34   0.924  -9.439  -7.212
  478   1HG   GLU  34          1HG       GLU  34  -1.941  -8.706  -6.653
  479   2HG   GLU  34          2HG       GLU  34  -0.538  -7.698  -6.306
  480    H    GLY  35           H        GLY  35  -0.540 -12.534  -5.782
  481   1HA   GLY  35          1HA       GLY  35   0.455 -14.640  -5.527
  482   2HA   GLY  35          2HA       GLY  35   1.264 -14.420  -7.073
  483    H    ILE  36           H        ILE  36   1.215 -12.456  -4.119
  484    HA   ILE  36           HA       ILE  36   4.092 -12.914  -3.779
  485    HB   ILE  36           HB       ILE  36   2.782 -10.186  -3.828
  486   1HG1  ILE  36          1HG1      ILE  36   4.894 -11.402  -5.627
  487   2HG1  ILE  36          2HG1      ILE  36   3.205 -11.160  -6.060
  488   1HG2  ILE  36          1HG2      ILE  36   4.809 -10.869  -2.196
  489   2HG2  ILE  36          2HG2      ILE  36   4.632  -9.265  -2.908
  490   3HG2  ILE  36          3HG2      ILE  36   5.719 -10.442  -3.645
  491   1HD1  ILE  36          1HD1      ILE  36   4.140  -9.329  -7.029
  492   2HD1  ILE  36          2HD1      ILE  36   5.404  -9.188  -5.807
  493   3HD1  ILE  36          3HD1      ILE  36   3.761  -8.663  -5.440
  494    HA   PRO  37           HA       PRO  37   3.003 -13.669   0.459
  495   1HB   PRO  37          1HB       PRO  37   5.571 -12.227   0.967
  496   2HB   PRO  37          2HB       PRO  37   5.005 -13.775   1.608
  497   1HG   PRO  37          1HG       PRO  37   6.822 -13.692  -0.335
  498   2HG   PRO  37          2HG       PRO  37   5.550 -14.927  -0.329
  499   1HD   PRO  37          1HD       PRO  37   5.823 -12.496  -2.023
  500   2HD   PRO  37          2HD       PRO  37   5.096 -14.068  -2.409
  501    HA   PRO  38           HA       PRO  38   1.029  -9.760   1.416
  502   1HB   PRO  38          1HB       PRO  38   0.686 -11.080   4.062
  503   2HB   PRO  38          2HB       PRO  38  -0.519 -10.319   3.018
  504   1HG   PRO  38          1HG       PRO  38  -0.373 -12.968   3.211
  505   2HG   PRO  38          2HG       PRO  38  -0.715 -12.185   1.658
  506   1HD   PRO  38          1HD       PRO  38   1.826 -13.411   2.644
  507   2HD   PRO  38          2HD       PRO  38   1.120 -13.432   1.015
  508    H    ASP  39           H        ASP  39   3.104 -11.335   3.850
  509    HA   ASP  39           HA       ASP  39   3.697  -9.081   5.375
  510   1HB   ASP  39          1HB       ASP  39   5.464 -11.472   4.799
  511   2HB   ASP  39          2HB       ASP  39   5.708 -10.318   6.107
  512    H    GLN  40           H        GLN  40   5.356 -10.411   2.543
  513    HA   GLN  40           HA       GLN  40   7.448  -8.531   2.453
  514   1HB   GLN  40          1HB       GLN  40   7.507 -10.652   1.225
  515   2HB   GLN  40          2HB       GLN  40   6.180 -10.111   0.208
  516   1HG   GLN  40          1HG       GLN  40   7.564  -8.352  -0.712
  517   2HG   GLN  40          2HG       GLN  40   8.889  -8.812   0.353
  518   1HE2  GLN  40          1HE2      GLN  40   7.419 -11.619  -0.475
  519   2HE2  GLN  40          2HE2      GLN  40   8.367 -12.053  -1.850
  520    H    GLN  41           H        GLN  41   4.194  -8.533   1.142
  521    HA   GLN  41           HA       GLN  41   4.501  -6.187  -0.452
  522   1HB   GLN  41          1HB       GLN  41   1.989  -7.487   0.613
  523   2HB   GLN  41          2HB       GLN  41   2.064  -6.294  -0.676
  524   1HG   GLN  41          1HG       GLN  41   3.129  -7.790  -2.141
  525   2HG   GLN  41          2HG       GLN  41   3.490  -8.923  -0.844
  526   1HE2  GLN  41          1HE2      GLN  41   1.671  -8.583  -3.449
  527   2HE2  GLN  41          2HE2      GLN  41   0.276  -9.495  -3.001
  528    H    ARG  42           H        ARG  42   4.306  -4.104   0.080
  529    HA   ARG  42           HA       ARG  42   3.121  -3.414   2.684
  530   1HB   ARG  42          1HB       ARG  42   5.761  -2.579   1.547
  531   2HB   ARG  42          2HB       ARG  42   4.880  -1.458   2.572
  532   1HG   ARG  42          1HG       ARG  42   6.462  -2.639   3.911
  533   2HG   ARG  42          2HG       ARG  42   4.845  -3.186   4.349
  534   1HD   ARG  42          1HD       ARG  42   5.132  -5.199   3.046
  535   2HD   ARG  42          2HD       ARG  42   6.696  -4.635   2.461
  536    HE   ARG  42           HE       ARG  42   7.596  -5.528   4.344
  537   1HH1  ARG  42          1HH1      ARG  42   4.293  -4.658   5.062
  538   2HH1  ARG  42          2HH1      ARG  42   4.372  -5.215   6.700
  539   1HH2  ARG  42          1HH2      ARG  42   7.699  -6.264   6.496
  540   2HH2  ARG  42          2HH2      ARG  42   6.305  -6.124   7.515
  541    H    LEU  43           H        LEU  43   1.442  -2.110   2.432
  542    HA   LEU  43           HA       LEU  43   1.232  -0.509  -0.017
  543   1HB   LEU  43          1HB       LEU  43  -0.853  -1.324   2.005
  544   2HB   LEU  43          2HB       LEU  43  -1.167  -0.276   0.636
  545    HG   LEU  43           HG       LEU  43  -0.260  -3.151   0.460
  546   1HD1  LEU  43          1HD1      LEU  43  -2.676  -2.476   1.244
  547   2HD1  LEU  43          2HD1      LEU  43  -2.429  -3.774   0.076
  548   3HD1  LEU  43          3HD1      LEU  43  -2.909  -2.170  -0.478
  549   1HD2  LEU  43          1HD2      LEU  43  -0.696  -2.927  -1.924
  550   2HD2  LEU  43          2HD2      LEU  43   0.531  -1.770  -1.408
  551   3HD2  LEU  43          3HD2      LEU  43  -1.121  -1.230  -1.702
  552    H    ILE  44           H        ILE  44   0.953   1.686   0.012
  553    HA   ILE  44           HA       ILE  44   0.977   3.028   2.629
  554    HB   ILE  44           HB       ILE  44   2.719   3.796   0.282
  555   1HG1  ILE  44          1HG1      ILE  44   3.469   2.673   2.991
  556   2HG1  ILE  44          2HG1      ILE  44   3.508   1.780   1.475
  557   1HG2  ILE  44          1HG2      ILE  44   2.329   5.037   2.997
  558   2HG2  ILE  44          2HG2      ILE  44   2.051   5.774   1.419
  559   3HG2  ILE  44          3HG2      ILE  44   3.694   5.408   1.943
  560   1HD1  ILE  44          1HD1      ILE  44   5.318   3.926   2.459
  561   2HD1  ILE  44          2HD1      ILE  44   5.106   3.697   0.723
  562   3HD1  ILE  44          3HD1      ILE  44   5.704   2.372   1.721
  563    H    PHE  45           H        PHE  45  -0.113   4.965   2.742
  564    HA   PHE  45           HA       PHE  45  -1.179   6.198   0.348
  565   1HB   PHE  45          1HB       PHE  45  -2.851   4.472   0.771
  566   2HB   PHE  45          2HB       PHE  45  -3.008   5.003   2.442
  567    HD1  PHE  45           HD1      PHE  45  -5.090   5.911   2.754
  568    HD2  PHE  45           HD2      PHE  45  -2.947   6.858  -0.799
  569    HE1  PHE  45           HE1      PHE  45  -6.878   7.467   2.095
  570    HE2  PHE  45           HE2      PHE  45  -4.730   8.418  -1.464
  571    HZ   PHE  45           HZ       PHE  45  -6.699   8.723  -0.016
  572    H    ALA  46           H        ALA  46  -1.522   8.339   0.600
  573    HA   ALA  46           HA       ALA  46  -1.267  10.405   1.533
  574   1HB   ALA  46          1HB       ALA  46  -3.479   9.357   2.545
  575   2HB   ALA  46          2HB       ALA  46  -2.872  10.927   3.071
  576   3HB   ALA  46          3HB       ALA  46  -2.563   9.490   4.046
  577    H    GLY  47           H        GLY  47   0.930   8.650   1.899
  578   1HA   GLY  47          1HA       GLY  47   2.976   8.860   2.958
  579   2HA   GLY  47          2HA       GLY  47   2.254  10.027   4.052
  580    H    LYS  48           H        LYS  48   0.089   8.180   4.847
  581    HA   LYS  48           HA       LYS  48   1.597   6.784   6.887
  582   1HB   LYS  48          1HB       LYS  48  -1.377   7.078   6.449
  583   2HB   LYS  48          2HB       LYS  48  -0.652   6.259   7.826
  584   1HG   LYS  48          1HG       LYS  48   0.441   8.350   8.487
  585   2HG   LYS  48          2HG       LYS  48  -0.309   9.166   7.115
  586   1HD   LYS  48          1HD       LYS  48  -1.803   7.814   9.361
  587   2HD   LYS  48          2HD       LYS  48  -1.520   9.550   9.233
  588   1HE   LYS  48          1HE       LYS  48  -2.753   9.576   7.106
  589   2HE   LYS  48          2HE       LYS  48  -3.061   7.848   7.275
  590   1HZ   LYS  48          1HZ       LYS  48  -4.156   8.437   9.452
  591   2HZ   LYS  48          2HZ       LYS  48  -4.975   8.929   8.056
  592   3HZ   LYS  48          3HZ       LYS  48  -4.092  10.054   8.959
  593    H    GLN  49           H        GLN  49   2.080   4.707   6.922
  594    HA   GLN  49           HA       GLN  49   1.372   3.008   4.720
  595   1HB   GLN  49          1HB       GLN  49   2.786   1.334   5.844
  596   2HB   GLN  49          2HB       GLN  49   3.604   2.879   5.673
  597   1HG   GLN  49          1HG       GLN  49   4.170   2.278   7.810
  598   2HG   GLN  49          2HG       GLN  49   2.768   3.303   8.092
  599   1HE2  GLN  49          1HE2      GLN  49   1.808   0.400   6.737
  600   2HE2  GLN  49          2HE2      GLN  49   1.366  -0.428   8.186
  601    H    LEU  50           H        LEU  50  -0.018   1.284   4.681
  602    HA   LEU  50           HA       LEU  50  -2.171   1.296   6.539
  603   1HB   LEU  50          1HB       LEU  50  -1.489  -0.838   4.521
  604   2HB   LEU  50          2HB       LEU  50  -3.043  -0.585   5.288
  605    HG   LEU  50           HG       LEU  50  -1.712   1.240   3.287
  606   1HD1  LEU  50          1HD1      LEU  50  -2.846   0.140   1.733
  607   2HD1  LEU  50          2HD1      LEU  50  -4.348   0.293   2.645
  608   3HD1  LEU  50          3HD1      LEU  50  -3.260  -1.060   2.957
  609   1HD2  LEU  50          1HD2      LEU  50  -4.093   2.297   3.408
  610   2HD2  LEU  50          2HD2      LEU  50  -2.864   2.760   4.587
  611   3HD2  LEU  50          3HD2      LEU  50  -4.116   1.597   5.027
  612    H    GLU  51           H        GLU  51  -2.375   0.271   8.421
  613    HA   GLU  51           HA       GLU  51  -0.339  -1.662   9.207
  614   1HB   GLU  51          1HB       GLU  51  -2.556  -0.380  10.815
  615   2HB   GLU  51          2HB       GLU  51  -1.307  -1.432  11.465
  616   1HG   GLU  51          1HG       GLU  51   0.400   0.190  10.804
  617   2HG   GLU  51          2HG       GLU  51  -0.861   1.247  10.168
  618    H    ASP  52           H        ASP  52  -0.675  -3.797   9.270
  619    HA   ASP  52           HA       ASP  52  -2.917  -5.015   8.162
  620   1HB   ASP  52          1HB       ASP  52  -2.013  -7.124   9.065
  621   2HB   ASP  52          2HB       ASP  52  -0.757  -6.141   8.319
  622    H    GLY  53           H        GLY  53  -4.756  -5.956   8.967
  623   1HA   GLY  53          1HA       GLY  53  -6.271  -6.682  10.593
  624   2HA   GLY  53          2HA       GLY  53  -5.197  -6.065  11.838
  625    H    ARG  54           H        ARG  54  -5.040  -3.428  10.447
  626    HA   ARG  54           HA       ARG  54  -7.154  -2.164  11.842
  627   1HB   ARG  54          1HB       ARG  54  -5.071  -1.213   9.915
  628   2HB   ARG  54          2HB       ARG  54  -6.365  -0.135  10.410
  629   1HG   ARG  54          1HG       ARG  54  -4.339   0.177  11.745
  630   2HG   ARG  54          2HG       ARG  54  -5.707  -0.345  12.727
  631   1HD   ARG  54          1HD       ARG  54  -4.850  -2.634  12.710
  632   2HD   ARG  54          2HD       ARG  54  -3.493  -2.124  11.706
  633    HE   ARG  54           HE       ARG  54  -3.495  -0.542  14.001
  634   1HH1  ARG  54          1HH1      ARG  54  -3.057  -3.889  13.136
  635   2HH1  ARG  54          2HH1      ARG  54  -1.978  -4.220  14.448
  636   1HH2  ARG  54          1HH2      ARG  54  -2.076  -0.971  15.732
  637   2HH2  ARG  54          2HH2      ARG  54  -1.423  -2.563  15.926
  638    H    THR  55           H        THR  55  -9.022  -1.234  11.178
  639    HA   THR  55           HA       THR  55 -10.267  -2.337   8.844
  640    HB   THR  55           HB       THR  55 -12.254  -1.058   9.535
  641    HG1  THR  55           HG1      THR  55 -11.650  -0.107  11.862
  642   1HG2  THR  55          1HG2      THR  55 -12.605  -2.150  11.702
  643   2HG2  THR  55          2HG2      THR  55 -10.875  -2.470  11.823
  644   3HG2  THR  55          3HG2      THR  55 -11.828  -3.241  10.556
  645    H    LEU  56           H        LEU  56 -10.870  -1.344   6.972
  646    HA   LEU  56           HA       LEU  56  -9.317   0.822   6.038
  647   1HB   LEU  56          1HB       LEU  56 -11.818  -0.427   4.901
  648   2HB   LEU  56          2HB       LEU  56 -10.816   0.734   4.052
  649    HG   LEU  56           HG       LEU  56  -9.909  -1.997   4.966
  650   1HD1  LEU  56          1HD1      LEU  56 -10.164  -2.747   2.780
  651   2HD1  LEU  56          2HD1      LEU  56 -10.290  -1.112   2.132
  652   3HD1  LEU  56          3HD1      LEU  56 -11.624  -1.799   3.058
  653   1HD2  LEU  56          1HD2      LEU  56  -8.132  -1.204   3.107
  654   2HD2  LEU  56          2HD2      LEU  56  -7.909  -0.961   4.839
  655   3HD2  LEU  56          3HD2      LEU  56  -8.530   0.351   3.838
  656    H    SER  57           H        SER  57 -12.613   0.595   7.255
  657    HA   SER  57           HA       SER  57 -13.643   3.034   6.502
  658   1HB   SER  57          1HB       SER  57 -14.978   1.327   7.632
  659   2HB   SER  57          2HB       SER  57 -14.071   1.580   9.123
  660    HG   SER  57           HG       SER  57 -15.862   2.807   9.347
  661    H    ASP  58           H        ASP  58 -11.589   2.321   9.307
  662    HA   ASP  58           HA       ASP  58 -11.691   4.835  10.521
  663   1HB   ASP  58          1HB       ASP  58 -10.721   2.840  11.594
  664   2HB   ASP  58          2HB       ASP  58  -9.374   2.887  10.462
  665    H    TYR  59           H        TYR  59  -9.622   3.604   7.943
  666    HA   TYR  59           HA       TYR  59  -7.986   5.931   7.773
  667   1HB   TYR  59          1HB       TYR  59  -8.452   3.659   5.834
  668   2HB   TYR  59          2HB       TYR  59  -7.268   4.934   5.580
  669    HD1  TYR  59           HD1      TYR  59  -8.160   2.906   8.602
  670    HD2  TYR  59           HD2      TYR  59  -5.154   4.041   5.814
  671    HE1  TYR  59           HE1      TYR  59  -6.501   1.618   9.878
  672    HE2  TYR  59           HE2      TYR  59  -3.486   2.755   7.083
  673    HH   TYR  59           HH       TYR  59  -3.404   1.989   9.770
  674    H    ASN  60           H        ASN  60 -11.003   4.937   6.322
  675    HA   ASN  60           HA       ASN  60 -12.520   6.020   5.021
  676   1HB   ASN  60          1HB       ASN  60 -10.922   8.475   5.787
  677   2HB   ASN  60          2HB       ASN  60 -12.495   8.499   4.996
  678   1HD2  ASN  60          1HD2      ASN  60 -14.130   8.833   6.296
  679   2HD2  ASN  60          2HD2      ASN  60 -14.212   8.409   7.969
  680    H    ILE  61           H        ILE  61 -10.524   4.745   3.699
  681    HA   ILE  61           HA       ILE  61  -9.070   6.272   1.847
  682    HB   ILE  61           HB       ILE  61 -10.096   3.452   1.502
  683   1HG1  ILE  61          1HG1      ILE  61  -7.458   4.427   2.623
  684   2HG1  ILE  61          2HG1      ILE  61  -8.793   3.812   3.593
  685   1HG2  ILE  61          1HG2      ILE  61  -8.623   5.179  -0.227
  686   2HG2  ILE  61          2HG2      ILE  61  -9.123   3.509  -0.493
  687   3HG2  ILE  61          3HG2      ILE  61  -7.579   3.853   0.285
  688   1HD1  ILE  61          1HD1      ILE  61  -7.279   2.037   3.386
  689   2HD1  ILE  61          2HD1      ILE  61  -7.057   2.317   1.659
  690   3HD1  ILE  61          3HD1      ILE  61  -8.584   1.670   2.259
  691    H    GLN  62           H        GLN  62  -9.580   7.220  -0.023
  692    HA   GLN  62           HA       GLN  62 -12.289   7.570  -0.780
  693   1HB   GLN  62          1HB       GLN  62  -9.757   8.228  -2.296
  694   2HB   GLN  62          2HB       GLN  62 -11.365   8.805  -2.710
  695   1HG   GLN  62          1HG       GLN  62  -9.900   9.405  -0.149
  696   2HG   GLN  62          2HG       GLN  62 -10.042  10.491  -1.531
  697   1HE2  GLN  62          1HE2      GLN  62 -11.523  11.988  -1.301
  698   2HE2  GLN  62          2HE2      GLN  62 -12.987  11.855  -0.393
  699    H    LYS  63           H        LYS  63 -13.423   6.801  -2.559
  700    HA   LYS  63           HA       LYS  63 -13.070   4.150  -3.276
  701   1HB   LYS  63          1HB       LYS  63 -15.173   5.503  -3.457
  702   2HB   LYS  63          2HB       LYS  63 -14.504   6.258  -4.897
  703   1HG   LYS  63          1HG       LYS  63 -14.410   4.096  -6.000
  704   2HG   LYS  63          2HG       LYS  63 -15.053   3.325  -4.549
  705   1HD   LYS  63          1HD       LYS  63 -17.090   4.710  -4.757
  706   2HD   LYS  63          2HD       LYS  63 -16.448   5.384  -6.256
  707   1HE   LYS  63          1HE       LYS  63 -18.037   3.604  -6.726
  708   2HE   LYS  63          2HE       LYS  63 -16.415   3.145  -7.245
  709   1HZ   LYS  63          1HZ       LYS  63 -16.175   1.819  -5.254
  710   2HZ   LYS  63          2HZ       LYS  63 -17.559   1.338  -6.099
  711   3HZ   LYS  63          3HZ       LYS  63 -17.707   2.291  -4.710
  712    H    GLU  64           H        GLU  64 -11.929   3.109  -4.800
  713    HA   GLU  64           HA       GLU  64 -10.403   2.699  -6.431
  714   1HB   GLU  64          1HB       GLU  64 -11.553   5.227  -7.625
  715   2HB   GLU  64          2HB       GLU  64 -10.523   4.085  -8.477
  716   1HG   GLU  64          1HG       GLU  64 -12.214   2.346  -8.193
  717   2HG   GLU  64          2HG       GLU  64 -13.248   3.492  -7.342
  718    H    SER  65           H        SER  65  -9.440   4.017  -4.161
  719    HA   SER  65           HA       SER  65  -7.702   6.169  -4.983
  720   1HB   SER  65          1HB       SER  65  -8.634   6.151  -2.716
  721   2HB   SER  65          2HB       SER  65  -7.819   4.622  -2.384
  722    HG   SER  65           HG       SER  65  -6.609   7.128  -2.934
  723    H    THR  66           H        THR  66  -5.495   6.108  -5.246
  724    HA   THR  66           HA       THR  66  -4.377   3.517  -5.914
  725    HB   THR  66           HB       THR  66  -2.454   4.856  -6.748
  726    HG1  THR  66           HG1      THR  66  -2.799   7.158  -6.850
  727   1HG2  THR  66          1HG2      THR  66  -3.692   5.934  -8.621
  728   2HG2  THR  66          2HG2      THR  66  -5.192   5.621  -7.748
  729   3HG2  THR  66          3HG2      THR  66  -4.196   4.274  -8.301
  730    H    LEU  67           H        LEU  67  -2.855   2.458  -4.766
  731    HA   LEU  67           HA       LEU  67  -1.689   3.835  -2.433
  732   1HB   LEU  67          1HB       LEU  67  -2.672   0.994  -2.659
  733   2HB   LEU  67          2HB       LEU  67  -1.644   1.547  -1.353
  734    HG   LEU  67           HG       LEU  67  -3.421   3.202  -0.740
  735   1HD1  LEU  67          1HD1      LEU  67  -4.823   1.818  -2.985
  736   2HD1  LEU  67          2HD1      LEU  67  -4.736   3.538  -2.608
  737   3HD1  LEU  67          3HD1      LEU  67  -5.740   2.471  -1.628
  738   1HD2  LEU  67          1HD2      LEU  67  -3.820   1.615   0.755
  739   2HD2  LEU  67          2HD2      LEU  67  -3.406   0.347  -0.399
  740   3HD2  LEU  67          3HD2      LEU  67  -5.052   0.978  -0.334
  741    H    HIS  68           H        HIS  68   0.475   3.726  -2.197
  742    HA   HIS  68           HA       HIS  68   2.039   2.670  -4.341
  743   1HB   HIS  68          1HB       HIS  68   2.912   3.839  -1.693
  744   2HB   HIS  68          2HB       HIS  68   3.977   3.495  -3.050
  745    HD1  HIS  68           HD1      HIS  68   4.447   6.167  -2.704
  746    HD2  HIS  68           HD2      HIS  68   0.773   5.095  -4.318
  747    HE1  HIS  68           HE1      HIS  68   3.557   8.249  -3.797
  748    HE2  HIS  68           HE2      HIS  68   1.274   7.607  -4.643
  749    H    LEU  69           H        LEU  69   3.108   0.813  -4.513
  750    HA   LEU  69           HA       LEU  69   2.845  -1.158  -2.372
  751   1HB   LEU  69          1HB       LEU  69   2.198  -1.737  -4.697
  752   2HB   LEU  69          2HB       LEU  69   3.855  -1.472  -5.199
  753    HG   LEU  69           HG       LEU  69   4.484  -3.312  -3.531
  754   1HD1  LEU  69          1HD1      LEU  69   1.654  -4.206  -3.872
  755   2HD1  LEU  69          2HD1      LEU  69   2.112  -3.177  -2.514
  756   3HD1  LEU  69          3HD1      LEU  69   2.870  -4.759  -2.718
  757   1HD2  LEU  69          1HD2      LEU  69   2.796  -4.459  -5.687
  758   2HD2  LEU  69          2HD2      LEU  69   4.454  -4.839  -5.221
  759   3HD2  LEU  69          3HD2      LEU  69   4.112  -3.379  -6.149
  760    H    VAL  70           H        VAL  70   4.606  -2.260  -1.467
  761    HA   VAL  70           HA       VAL  70   7.301  -1.430  -2.224
  762    HB   VAL  70           HB       VAL  70   6.351  -1.301   0.646
  763   1HG1  VAL  70          1HG1      VAL  70   9.018  -0.927  -0.668
  764   2HG1  VAL  70          2HG1      VAL  70   8.594  -1.919   0.726
  765   3HG1  VAL  70          3HG1      VAL  70   8.647  -0.161   0.879
  766   1HG2  VAL  70          1HG2      VAL  70   5.444   0.616  -0.340
  767   2HG2  VAL  70          2HG2      VAL  70   6.846   0.852  -1.385
  768   3HG2  VAL  70          3HG2      VAL  70   6.974   1.167   0.347
  769    H    LEU  71           H        LEU  71   8.391  -3.251  -2.539
  770    HA   LEU  71           HA       LEU  71   7.544  -5.676  -1.140
  771   1HB   LEU  71          1HB       LEU  71   9.403  -5.330  -3.490
  772   2HB   LEU  71          2HB       LEU  71   8.896  -6.866  -2.812
  773    HG   LEU  71           HG       LEU  71   7.075  -4.849  -4.135
  774   1HD1  LEU  71          1HD1      LEU  71   8.805  -6.776  -5.253
  775   2HD1  LEU  71          2HD1      LEU  71   7.571  -5.813  -6.067
  776   3HD1  LEU  71          3HD1      LEU  71   7.162  -7.398  -5.411
  777   1HD2  LEU  71          1HD2      LEU  71   5.335  -5.980  -3.335
  778   2HD2  LEU  71          2HD2      LEU  71   6.454  -6.826  -2.266
  779   3HD2  LEU  71          3HD2      LEU  71   6.034  -7.521  -3.831
  780    H    ARG  72           H        ARG  72   8.610  -6.354   0.569
  781    HA   ARG  72           HA       ARG  72  11.101  -5.197   1.375
  782   1HB   ARG  72          1HB       ARG  72   9.386  -5.925   2.999
  783   2HB   ARG  72          2HB       ARG  72   9.637  -7.593   2.502
  784   1HG   ARG  72          1HG       ARG  72  11.942  -7.491   3.299
  785   2HG   ARG  72          2HG       ARG  72  11.699  -5.813   3.789
  786   1HD   ARG  72          1HD       ARG  72   9.940  -6.532   5.341
  787   2HD   ARG  72          2HD       ARG  72  10.206  -8.207   4.858
  788    HE   ARG  72           HE       ARG  72  11.672  -6.777   6.787
  789   1HH1  ARG  72          1HH1      ARG  72  12.145  -9.028   4.163
  790   2HH1  ARG  72          2HH1      ARG  72  13.606  -9.684   4.823
  791   1HH2  ARG  72          1HH2      ARG  72  13.592  -7.637   7.657
  792   2HH2  ARG  72          2HH2      ARG  72  14.428  -8.894   6.808
  793    H    LEU  73           H        LEU  73  13.141  -5.997   1.214
  794    HA   LEU  73           HA       LEU  73  13.716  -7.892  -0.789
  795   1HB   LEU  73          1HB       LEU  73  15.432  -6.715   1.391
  796   2HB   LEU  73          2HB       LEU  73  16.059  -7.800   0.166
  797    HG   LEU  73           HG       LEU  73  15.317  -6.154  -1.573
  798   1HD1  LEU  73          1HD1      LEU  73  14.701  -4.516   0.869
  799   2HD1  LEU  73          2HD1      LEU  73  13.637  -4.909  -0.481
  800   3HD1  LEU  73          3HD1      LEU  73  14.989  -3.803  -0.718
  801   1HD2  LEU  73          1HD2      LEU  73  17.345  -5.390   0.508
  802   2HD2  LEU  73          2HD2      LEU  73  17.133  -4.485  -0.991
  803   3HD2  LEU  73          3HD2      LEU  73  17.611  -6.181  -1.045
  804    H    ARG  74           H        ARG  74  13.826 -10.031  -0.755
  805    HA   ARG  74           HA       ARG  74  13.232 -11.472   1.653
  806   1HB   ARG  74          1HB       ARG  74  13.954 -12.471  -1.108
  807   2HB   ARG  74          2HB       ARG  74  13.359 -13.474   0.207
  808   1HG   ARG  74          1HG       ARG  74  11.268 -12.178   0.220
  809   2HG   ARG  74          2HG       ARG  74  11.867 -11.235  -1.145
  810   1HD   ARG  74          1HD       ARG  74  11.386 -14.211  -1.112
  811   2HD   ARG  74          2HD       ARG  74  10.365 -13.004  -1.890
  812    HE   ARG  74           HE       ARG  74  12.956 -12.743  -2.906
  813   1HH1  ARG  74          1HH1      ARG  74  10.322 -15.022  -2.922
  814   2HH1  ARG  74          2HH1      ARG  74  10.733 -15.685  -4.468
  815   1HH2  ARG  74          1HH2      ARG  74  13.507 -13.609  -4.944
  816   2HH2  ARG  74          2HH2      ARG  74  12.547 -14.884  -5.617
  817    H    GLY  75           H        GLY  75  16.056 -11.118  -0.457
  818   1HA   GLY  75          1HA       GLY  75  17.898 -11.480   1.650
  819   2HA   GLY  75          2HA       GLY  75  17.725 -12.992   0.774
  820    H    GLY  76           H        GLY  76  17.388 -12.001  -1.822
  821   1HA   GLY  76          1HA       GLY  76  19.307 -10.086  -2.583
  822   2HA   GLY  76          2HA       GLY  76  20.046 -11.679  -2.643
  Start of MODEL   11
    1   1H    TYR 255          1H        TYR 255 -25.927   1.902  -6.516
    2   2H    TYR 255          2H        TYR 255 -24.550   2.697  -5.940
    3   3H    TYR 255          3H        TYR 255 -25.857   2.413  -4.904
    4    HA   TYR 255           HA       TYR 255 -24.971   0.514  -4.276
    5   1HB   TYR 255          1HB       TYR 255 -26.387  -0.322  -6.148
    6   2HB   TYR 255          2HB       TYR 255 -24.997  -0.204  -7.221
    7    HD1  TYR 255           HD1      TYR 255 -25.441  -1.573  -3.764
    8    HD2  TYR 255           HD2      TYR 255 -24.258  -2.313  -7.784
    9    HE1  TYR 255           HE1      TYR 255 -24.769  -3.855  -3.141
   10    HE2  TYR 255           HE2      TYR 255 -23.584  -4.597  -7.171
   11    HH   TYR 255           HH       TYR 255 -24.387  -6.271  -5.141
   12    HA   PRO 256           HA       PRO 256 -20.702   1.980  -5.769
   13   1HB   PRO 256          1HB       PRO 256 -19.851   2.778  -3.289
   14   2HB   PRO 256          2HB       PRO 256 -20.604   3.858  -4.467
   15   1HG   PRO 256          1HG       PRO 256 -21.826   2.477  -2.111
   16   2HG   PRO 256          2HG       PRO 256 -22.067   4.137  -2.686
   17   1HD   PRO 256          1HD       PRO 256 -23.860   2.195  -3.177
   18   2HD   PRO 256          2HD       PRO 256 -23.528   3.481  -4.356
   19    H    GLU 257           H        GLU 257 -19.166   0.469  -5.844
   20    HA   GLU 257           HA       GLU 257 -19.361  -1.974  -4.482
   21   1HB   GLU 257          1HB       GLU 257 -16.942  -0.753  -5.825
   22   2HB   GLU 257          2HB       GLU 257 -17.120  -2.446  -5.387
   23   1HG   GLU 257          1HG       GLU 257 -18.993  -2.653  -6.937
   24   2HG   GLU 257          2HG       GLU 257 -18.822  -0.954  -7.372
   25    H    ASP 258           H        ASP 258 -18.517  -2.731  -2.616
   26    HA   ASP 258           HA       ASP 258 -17.718  -0.959  -0.597
   27   1HB   ASP 258          1HB       ASP 258 -17.303  -3.952  -0.775
   28   2HB   ASP 258          2HB       ASP 258 -17.138  -2.990   0.691
   29    H    GLU 259           H        GLU 259 -15.856  -3.035  -2.757
   30    HA   GLU 259           HA       GLU 259 -13.326  -2.673  -1.617
   31   1HB   GLU 259          1HB       GLU 259 -13.762  -4.398  -3.271
   32   2HB   GLU 259          2HB       GLU 259 -14.126  -3.182  -4.487
   33   1HG   GLU 259          1HG       GLU 259 -11.794  -2.379  -4.313
   34   2HG   GLU 259          2HG       GLU 259 -11.460  -3.706  -3.201
   35    H    GLU 260           H        GLU 260 -14.955  -0.900  -4.229
   36    HA   GLU 260           HA       GLU 260 -12.868   0.910  -4.747
   37   1HB   GLU 260          1HB       GLU 260 -14.773   0.492  -6.276
   38   2HB   GLU 260          2HB       GLU 260 -15.841   1.311  -5.146
   39   1HG   GLU 260          1HG       GLU 260 -13.453   2.703  -6.292
   40   2HG   GLU 260          2HG       GLU 260 -14.965   2.596  -7.190
   41    H    GLU 261           H        GLU 261 -15.611   1.053  -2.523
   42    HA   GLU 261           HA       GLU 261 -15.331   3.722  -1.720
   43   1HB   GLU 261          1HB       GLU 261 -17.313   2.378  -1.213
   44   2HB   GLU 261          2HB       GLU 261 -16.364   1.363  -0.136
   45   1HG   GLU 261          1HG       GLU 261 -15.959   3.283   1.319
   46   2HG   GLU 261          2HG       GLU 261 -16.910   4.300   0.238
   47    H    LEU 262           H        LEU 262 -13.921   0.756  -0.364
   48    HA   LEU 262           HA       LEU 262 -12.603   2.019   1.792
   49   1HB   LEU 262          1HB       LEU 262 -13.095  -0.454   1.508
   50   2HB   LEU 262          2HB       LEU 262 -11.736  -0.517   0.406
   51    HG   LEU 262           HG       LEU 262 -11.224  -1.316   2.708
   52   1HD1  LEU 262          1HD1      LEU 262  -9.657   0.137   1.018
   53   2HD1  LEU 262          2HD1      LEU 262  -9.094  -0.691   2.470
   54   3HD1  LEU 262          3HD1      LEU 262  -9.488   1.027   2.532
   55   1HD2  LEU 262          1HD2      LEU 262 -10.819   1.140   4.024
   56   2HD2  LEU 262          2HD2      LEU 262 -11.931  -0.158   4.459
   57   3HD2  LEU 262          3HD2      LEU 262 -12.473   1.154   3.413
   58    H    ILE 263           H        ILE 263 -11.485   1.049  -1.438
   59    HA   ILE 263           HA       ILE 263  -8.832   1.869  -1.192
   60    HB   ILE 263           HB       ILE 263 -10.622   1.161  -3.387
   61   1HG1  ILE 263          1HG1      ILE 263  -7.665   0.766  -2.930
   62   2HG1  ILE 263          2HG1      ILE 263  -8.941  -0.341  -2.442
   63   1HG2  ILE 263          1HG2      ILE 263  -8.906   2.096  -5.087
   64   2HG2  ILE 263          2HG2      ILE 263  -8.522   3.251  -3.811
   65   3HG2  ILE 263          3HG2      ILE 263 -10.159   3.167  -4.459
   66   1HD1  ILE 263          1HD1      ILE 263  -9.422  -0.058  -5.111
   67   2HD1  ILE 263          2HD1      ILE 263  -8.514  -1.374  -4.366
   68   3HD1  ILE 263          3HD1      ILE 263  -7.662   0.020  -5.032
   69    H    ARG 264           H        ARG 264 -11.636   3.705  -2.445
   70    HA   ARG 264           HA       ARG 264 -10.166   6.041  -2.992
   71   1HB   ARG 264          1HB       ARG 264 -12.305   7.197  -3.121
   72   2HB   ARG 264          2HB       ARG 264 -12.348   5.672  -3.989
   73   1HG   ARG 264          1HG       ARG 264 -14.376   5.660  -2.919
   74   2HG   ARG 264          2HG       ARG 264 -13.378   4.753  -1.784
   75   1HD   ARG 264          1HD       ARG 264 -13.054   6.773  -0.449
   76   2HD   ARG 264          2HD       ARG 264 -14.030   7.692  -1.594
   77    HE   ARG 264           HE       ARG 264 -15.534   5.516  -0.665
   78   1HH1  ARG 264          1HH1      ARG 264 -14.198   8.524   0.477
   79   2HH1  ARG 264          2HH1      ARG 264 -15.420   8.757   1.683
   80   1HH2  ARG 264          1HH2      ARG 264 -17.146   5.814   0.919
   81   2HH2  ARG 264          2HH2      ARG 264 -17.096   7.216   1.935
   82    H    LYS 265           H        LYS 265 -11.733   4.871  -0.073
   83    HA   LYS 265           HA       LYS 265 -11.670   7.221   1.447
   84   1HB   LYS 265          1HB       LYS 265 -12.765   5.121   2.187
   85   2HB   LYS 265          2HB       LYS 265 -11.183   4.379   2.380
   86   1HG   LYS 265          1HG       LYS 265 -10.633   6.017   4.117
   87   2HG   LYS 265          2HG       LYS 265 -12.233   6.738   3.931
   88   1HD   LYS 265          1HD       LYS 265 -11.671   3.892   4.769
   89   2HD   LYS 265          2HD       LYS 265 -12.140   5.207   5.848
   90   1HE   LYS 265          1HE       LYS 265 -14.263   5.431   4.658
   91   2HE   LYS 265          2HE       LYS 265 -13.790   4.137   3.559
   92   1HZ   LYS 265          1HZ       LYS 265 -13.959   2.552   5.234
   93   2HZ   LYS 265          2HZ       LYS 265 -15.295   3.550   5.510
   94   3HZ   LYS 265          3HZ       LYS 265 -13.917   3.698   6.478
   95    H    ALA 266           H        ALA 266  -9.286   4.661   0.989
   96    HA   ALA 266           HA       ALA 266  -7.219   5.809   2.530
   97   1HB   ALA 266          1HB       ALA 266  -7.339   3.421   1.746
   98   2HB   ALA 266          2HB       ALA 266  -5.776   4.203   1.509
   99   3HB   ALA 266          3HB       ALA 266  -6.874   3.995   0.144
  100    H    ILE 267           H        ILE 267  -8.296   6.189  -0.779
  101    HA   ILE 267           HA       ILE 267  -6.096   7.580  -1.823
  102    HB   ILE 267           HB       ILE 267  -9.015   7.721  -2.567
  103   1HG1  ILE 267          1HG1      ILE 267  -7.931   5.537  -2.913
  104   2HG1  ILE 267          2HG1      ILE 267  -8.355   6.296  -4.443
  105   1HG2  ILE 267          1HG2      ILE 267  -6.624   8.932  -3.941
  106   2HG2  ILE 267          2HG2      ILE 267  -8.038   9.770  -3.302
  107   3HG2  ILE 267          3HG2      ILE 267  -8.198   8.718  -4.708
  108   1HD1  ILE 267          1HD1      ILE 267  -6.254   5.523  -4.896
  109   2HD1  ILE 267          2HD1      ILE 267  -5.680   5.791  -3.250
  110   3HD1  ILE 267          3HD1      ILE 267  -5.888   7.158  -4.345
  111    H    GLU 268           H        GLU 268  -8.996   8.681  -0.140
  112    HA   GLU 268           HA       GLU 268  -8.545  11.444  -0.395
  113   1HB   GLU 268          1HB       GLU 268 -10.717  10.532   0.249
  114   2HB   GLU 268          2HB       GLU 268 -10.032   9.915   1.745
  115   1HG   GLU 268          1HG       GLU 268  -9.568  12.206   2.472
  116   2HG   GLU 268          2HG       GLU 268 -10.280  12.815   0.978
  117    H    LEU 269           H        LEU 269  -7.800   9.197   2.271
  118    HA   LEU 269           HA       LEU 269  -6.600  11.063   3.977
  119   1HB   LEU 269          1HB       LEU 269  -5.938   8.136   3.662
  120   2HB   LEU 269          2HB       LEU 269  -5.494   9.138   5.029
  121    HG   LEU 269           HG       LEU 269  -8.310   8.405   4.227
  122   1HD1  LEU 269          1HD1      LEU 269  -6.300   7.110   5.861
  123   2HD1  LEU 269          2HD1      LEU 269  -7.866   6.510   5.307
  124   3HD1  LEU 269          3HD1      LEU 269  -7.763   7.476   6.779
  125   1HD2  LEU 269          1HD2      LEU 269  -8.016  10.662   5.296
  126   2HD2  LEU 269          2HD2      LEU 269  -7.381   9.827   6.714
  127   3HD2  LEU 269          3HD2      LEU 269  -9.040   9.537   6.189
  128    H    SER 270           H        SER 270  -5.121   8.950   1.541
  129    HA   SER 270           HA       SER 270  -2.460   9.669   1.976
  130   1HB   SER 270          1HB       SER 270  -3.134   7.710   0.658
  131   2HB   SER 270          2HB       SER 270  -3.768   8.770  -0.601
  132    HG   SER 270           HG       SER 270  -1.828   8.783  -1.377
  133    H    LEU 271           H        LEU 271  -4.847  11.053  -0.261
  134    HA   LEU 271           HA       LEU 271  -3.098  12.879  -1.496
  135   1HB   LEU 271          1HB       LEU 271  -6.090  12.931  -1.140
  136   2HB   LEU 271          2HB       LEU 271  -5.213  14.095  -2.115
  137    HG   LEU 271           HG       LEU 271  -5.277  11.116  -2.605
  138   1HD1  LEU 271          1HD1      LEU 271  -6.716  13.403  -3.930
  139   2HD1  LEU 271          2HD1      LEU 271  -7.423  12.011  -3.110
  140   3HD1  LEU 271          3HD1      LEU 271  -6.569  11.794  -4.637
  141   1HD2  LEU 271          1HD2      LEU 271  -3.205  11.983  -3.390
  142   2HD2  LEU 271          2HD2      LEU 271  -3.992  13.394  -4.098
  143   3HD2  LEU 271          3HD2      LEU 271  -4.256  11.795  -4.794
  144    H    LYS 272           H        LYS 272  -5.157  13.177   1.368
  145    HA   LYS 272           HA       LYS 272  -4.897  15.916   1.801
  146   1HB   LYS 272          1HB       LYS 272  -5.177  13.670   3.801
  147   2HB   LYS 272          2HB       LYS 272  -5.325  15.374   4.209
  148   1HG   LYS 272          1HG       LYS 272  -7.077  13.880   2.268
  149   2HG   LYS 272          2HG       LYS 272  -7.504  14.312   3.925
  150   1HD   LYS 272          1HD       LYS 272  -7.306  16.679   3.370
  151   2HD   LYS 272          2HD       LYS 272  -6.832  16.264   1.721
  152   1HE   LYS 272          1HE       LYS 272  -9.003  15.188   1.373
  153   2HE   LYS 272          2HE       LYS 272  -9.474  15.604   3.020
  154   1HZ   LYS 272          1HZ       LYS 272  -9.672  17.169   0.696
  155   2HZ   LYS 272          2HZ       LYS 272  -8.623  17.945   1.772
  156   3HZ   LYS 272          3HZ       LYS 272 -10.191  17.541   2.263
  157    H    GLU 273           H        GLU 273  -2.801  13.258   2.858
  158    HA   GLU 273           HA       GLU 273  -1.040  14.802   4.408
  159   1HB   GLU 273          1HB       GLU 273  -1.115  12.349   4.505
  160   2HB   GLU 273          2HB       GLU 273  -0.483  12.260   2.868
  161   1HG   GLU 273          1HG       GLU 273   1.267  11.815   4.462
  162   2HG   GLU 273          2HG       GLU 273   1.589  13.328   3.616
  163    H    SER 274           H        SER 274  -0.786  13.735   1.020
  164    HA   SER 274           HA       SER 274   1.527  15.429   0.589
  165   1HB   SER 274          1HB       SER 274  -0.022  13.670  -1.329
  166   2HB   SER 274          2HB       SER 274   1.491  14.498  -1.701
  167    HG   SER 274           HG       SER 274   1.884  12.354  -1.082
  168    H    ARG 275           H        ARG 275  -0.784  16.857   1.337
  169    HA   ARG 275           HA       ARG 275  -2.141  17.927  -0.920
  170   1HB   ARG 275          1HB       ARG 275  -3.078  17.986   1.361
  171   2HB   ARG 275          2HB       ARG 275  -1.811  19.103   1.846
  172   1HG   ARG 275          1HG       ARG 275  -3.899  20.271   1.426
  173   2HG   ARG 275          2HG       ARG 275  -2.658  20.764   0.273
  174   1HD   ARG 275          1HD       ARG 275  -3.613  19.272  -1.406
  175   2HD   ARG 275          2HD       ARG 275  -4.835  18.740  -0.252
  176    HE   ARG 275           HE       ARG 275  -4.955  21.041  -1.871
  177   1HH1  ARG 275          1HH1      ARG 275  -5.670  19.978   1.372
  178   2HH1  ARG 275          2HH1      ARG 275  -6.926  21.146   1.614
  179   1HH2  ARG 275          1HH2      ARG 275  -6.610  22.575  -1.561
  180   2HH2  ARG 275          2HH2      ARG 275  -7.461  22.619  -0.053
  181    H    ASN 276           H        ASN 276   0.625  19.011   1.005
  182    HA   ASN 276           HA       ASN 276   1.771  20.419  -1.180
  183   1HB   ASN 276          1HB       ASN 276  -0.045  22.009  -0.534
  184   2HB   ASN 276          2HB       ASN 276   0.683  22.136   1.062
  185   1HD2  ASN 276          1HD2      ASN 276   3.046  21.747  -1.289
  186   2HD2  ASN 276          2HD2      ASN 276   3.481  23.405  -1.487
  187    H    SER 277           H        SER 277   3.915  20.653  -0.861
  188    HA   SER 277           HA       SER 277   5.963  20.470   0.101
  189   1HB   SER 277          1HB       SER 277   5.257  22.480   1.327
  190   2HB   SER 277          2HB       SER 277   4.511  21.469   2.565
  191    HG   SER 277           HG       SER 277   7.186  20.981   1.983
  192    H    ALA 278           H        ALA 278   4.582  18.116  -0.106
  193    HA   ALA 278           HA       ALA 278   4.353  16.618   2.262
  194   1HB   ALA 278          1HB       ALA 278   5.069  14.898   0.114
  195   2HB   ALA 278          2HB       ALA 278   4.024  16.171  -0.516
  196   3HB   ALA 278          3HB       ALA 278   3.479  15.168   0.829
  197   1H    MET   1          1H        MET   1  16.675   0.339   2.461
  198   2H    MET   1          2H        MET   1  15.528   0.081   1.245
  199   3H    MET   1          3H        MET   1  15.368  -0.699   2.738
  200    HA   MET   1           HA       MET   1  15.495   1.927   3.421
  201   1HB   MET   1          1HB       MET   1  15.267   2.507   1.048
  202   2HB   MET   1          2HB       MET   1  13.794   1.553   0.946
  203   1HG   MET   1          1HG       MET   1  12.711   3.053   2.537
  204   2HG   MET   1          2HG       MET   1  14.187   4.011   2.638
  205   1HE   MET   1          1HE       MET   1  11.413   3.692  -1.017
  206   2HE   MET   1          2HE       MET   1  11.364   2.685   0.431
  207   3HE   MET   1          3HE       MET   1  12.635   2.444  -0.768
  208    H    GLN   2           H        GLN   2  14.057   2.166   5.032
  209    HA   GLN   2           HA       GLN   2  12.201   0.012   5.543
  210   1HB   GLN   2          1HB       GLN   2  12.777   2.511   7.142
  211   2HB   GLN   2          2HB       GLN   2  11.807   1.151   7.686
  212   1HG   GLN   2          1HG       GLN   2  14.723   0.992   6.961
  213   2HG   GLN   2          2HG       GLN   2  14.102   1.174   8.599
  214   1HE2  GLN   2          1HE2      GLN   2  11.861  -0.677   7.166
  215   2HE2  GLN   2          2HE2      GLN   2  12.488  -2.247   7.510
  216    H    ILE   3           H        ILE   3   9.987   0.148   5.672
  217    HA   ILE   3           HA       ILE   3   8.665   2.665   5.037
  218    HB   ILE   3           HB       ILE   3   7.267   1.646   3.282
  219   1HG1  ILE   3          1HG1      ILE   3   9.227  -0.656   3.407
  220   2HG1  ILE   3          2HG1      ILE   3   7.569  -0.713   3.996
  221   1HG2  ILE   3          1HG2      ILE   3   9.645   1.163   1.855
  222   2HG2  ILE   3          2HG2      ILE   3  10.015   2.392   3.063
  223   3HG2  ILE   3          3HG2      ILE   3   8.698   2.649   1.920
  224   1HD1  ILE   3          1HD1      ILE   3   8.433  -0.291   1.146
  225   2HD1  ILE   3          2HD1      ILE   3   6.765  -0.292   1.718
  226   3HD1  ILE   3          3HD1      ILE   3   7.736  -1.760   1.829
  227    H    PHE   4           H        PHE   4   6.610   2.818   5.881
  228    HA   PHE   4           HA       PHE   4   5.784   0.542   7.546
  229   1HB   PHE   4          1HB       PHE   4   5.428   3.501   7.847
  230   2HB   PHE   4          2HB       PHE   4   4.334   2.390   8.662
  231    HD1  PHE   4           HD1      PHE   4   4.969   1.263  10.610
  232    HD2  PHE   4           HD2      PHE   4   7.877   3.401   8.355
  233    HE1  PHE   4           HE1      PHE   4   6.575   1.004  12.451
  234    HE2  PHE   4           HE2      PHE   4   9.492   3.149  10.195
  235    HZ   PHE   4           HZ       PHE   4   8.841   1.952  12.246
  236    H    VAL   5           H        VAL   5   3.874  -0.411   7.325
  237    HA   VAL   5           HA       VAL   5   2.066   0.618   5.242
  238    HB   VAL   5           HB       VAL   5   2.223  -2.187   6.364
  239   1HG1  VAL   5          1HG1      VAL   5   0.008  -1.658   5.560
  240   2HG1  VAL   5          2HG1      VAL   5   0.796  -2.762   4.433
  241   3HG1  VAL   5          3HG1      VAL   5   0.670  -1.046   4.044
  242   1HG2  VAL   5          1HG2      VAL   5   4.084  -2.303   5.109
  243   2HG2  VAL   5          2HG2      VAL   5   3.682  -0.848   4.197
  244   3HG2  VAL   5          3HG2      VAL   5   2.955  -2.393   3.756
  245    H    LYS   6           H        LYS   6   0.226   1.514   5.937
  246    HA   LYS   6           HA       LYS   6  -0.640   0.952   8.676
  247   1HB   LYS   6          1HB       LYS   6  -1.915   3.026   8.545
  248   2HB   LYS   6          2HB       LYS   6  -0.231   3.303   8.140
  249   1HG   LYS   6          1HG       LYS   6  -1.268   4.546   6.534
  250   2HG   LYS   6          2HG       LYS   6  -1.080   3.013   5.684
  251   1HD   LYS   6          1HD       LYS   6  -3.298   3.770   5.277
  252   2HD   LYS   6          2HD       LYS   6  -3.414   2.435   6.422
  253   1HE   LYS   6          1HE       LYS   6  -3.422   5.347   7.203
  254   2HE   LYS   6          2HE       LYS   6  -4.877   4.385   6.958
  255   1HZ   LYS   6          1HZ       LYS   6  -3.489   2.864   8.679
  256   2HZ   LYS   6          2HZ       LYS   6  -4.674   3.981   9.135
  257   3HZ   LYS   6          3HZ       LYS   6  -3.039   4.415   9.185
  258    H    THR   7           H        THR   7  -2.551   0.077   9.169
  259    HA   THR   7           HA       THR   7  -4.135  -1.000   6.965
  260    HB   THR   7           HB       THR   7  -5.212  -2.411   8.665
  261    HG1  THR   7           HG1      THR   7  -3.803  -0.703  10.372
  262   1HG2  THR   7          1HG2      THR   7  -3.424  -3.881   8.980
  263   2HG2  THR   7          2HG2      THR   7  -2.258  -2.572   9.169
  264   3HG2  THR   7          3HG2      THR   7  -2.926  -2.935   7.576
  265    H    LEU   8           H        LEU   8  -6.466  -0.853   7.001
  266    HA   LEU   8           HA       LEU   8  -7.452   1.712   7.263
  267   1HB   LEU   8          1HB       LEU   8  -9.004  -0.873   7.380
  268   2HB   LEU   8          2HB       LEU   8  -9.719   0.710   7.154
  269    HG   LEU   8           HG       LEU   8  -9.661  -0.125   5.003
  270   1HD1  LEU   8          1HD1      LEU   8  -6.960   1.166   5.010
  271   2HD1  LEU   8          2HD1      LEU   8  -8.430   2.089   5.321
  272   3HD1  LEU   8          3HD1      LEU   8  -8.229   1.242   3.787
  273   1HD2  LEU   8          1HD2      LEU   8  -7.952  -1.992   5.913
  274   2HD2  LEU   8          2HD2      LEU   8  -6.861  -1.030   4.912
  275   3HD2  LEU   8          3HD2      LEU   8  -8.313  -1.736   4.207
  276    H    THR   9           H        THR   9  -7.472  -0.912   9.613
  277    HA   THR   9           HA       THR   9  -9.174   0.267  11.510
  278    HB   THR   9           HB       THR   9  -8.116  -1.239  13.158
  279    HG1  THR   9           HG1      THR   9  -6.460  -2.269  11.122
  280   1HG2  THR   9          1HG2      THR   9  -8.342  -3.376  11.548
  281   2HG2  THR   9          2HG2      THR   9  -9.109  -2.161  10.526
  282   3HG2  THR   9          3HG2      THR   9  -9.733  -2.472  12.146
  283    H    GLY  10           H        GLY  10  -5.631   0.389  11.167
  284   1HA   GLY  10          1HA       GLY  10  -4.790   2.741  11.642
  285   2HA   GLY  10          2HA       GLY  10  -5.607   2.544  13.185
  286    H    LYS  11           H        LYS  11  -3.269   0.726  11.170
  287    HA   LYS  11           HA       LYS  11  -1.453   0.635  13.443
  288   1HB   LYS  11          1HB       LYS  11  -2.943  -1.351  13.665
  289   2HB   LYS  11          2HB       LYS  11  -2.394  -1.896  12.088
  290   1HG   LYS  11          1HG       LYS  11  -0.138  -2.139  12.912
  291   2HG   LYS  11          2HG       LYS  11  -0.616  -1.491  14.483
  292   1HD   LYS  11          1HD       LYS  11  -2.175  -3.385  14.752
  293   2HD   LYS  11          2HD       LYS  11  -1.610  -4.040  13.214
  294   1HE   LYS  11          1HE       LYS  11  -0.517  -5.135  15.103
  295   2HE   LYS  11          2HE       LYS  11   0.642  -4.248  14.115
  296   1HZ   LYS  11          1HZ       LYS  11   1.141  -2.892  15.800
  297   2HZ   LYS  11          2HZ       LYS  11   0.414  -4.050  16.795
  298   3HZ   LYS  11          3HZ       LYS  11  -0.472  -2.705  16.277
  299    H    THR  12           H        THR  12   0.485   1.142  12.717
  300    HA   THR  12           HA       THR  12   1.171   0.629   9.913
  301    HB   THR  12           HB       THR  12   2.985   2.265  10.261
  302    HG1  THR  12           HG1      THR  12   1.815   2.682  12.823
  303   1HG2  THR  12          1HG2      THR  12   0.356   2.792   9.874
  304   2HG2  THR  12          2HG2      THR  12   1.625   4.017   9.834
  305   3HG2  THR  12          3HG2      THR  12   0.682   3.771  11.304
  306    H    ILE  13           H        ILE  13   2.891  -0.659   9.356
  307    HA   ILE  13           HA       ILE  13   4.466  -1.784  11.582
  308    HB   ILE  13           HB       ILE  13   3.443  -3.312   9.190
  309   1HG1  ILE  13          1HG1      ILE  13   1.686  -2.883  10.842
  310   2HG1  ILE  13          2HG1      ILE  13   2.138  -4.584  10.851
  311   1HG2  ILE  13          1HG2      ILE  13   5.733  -3.741  10.723
  312   2HG2  ILE  13          2HG2      ILE  13   4.962  -4.878   9.614
  313   3HG2  ILE  13          3HG2      ILE  13   4.546  -4.898  11.328
  314   1HD1  ILE  13          1HD1      ILE  13   3.734  -3.191  12.758
  315   2HD1  ILE  13          2HD1      ILE  13   2.562  -4.482  13.016
  316   3HD1  ILE  13          3HD1      ILE  13   2.035  -2.799  13.019
  317    H    THR  14           H        THR  14   6.606  -2.043  11.292
  318    HA   THR  14           HA       THR  14   7.919  -0.623   9.205
  319    HB   THR  14           HB       THR  14   9.162  -2.625  11.103
  320    HG1  THR  14           HG1      THR  14   9.632  -0.380  12.144
  321   1HG2  THR  14          1HG2      THR  14  11.190  -1.310  10.782
  322   2HG2  THR  14          2HG2      THR  14  10.330  -0.222   9.693
  323   3HG2  THR  14          3HG2      THR  14  10.589  -1.905   9.234
  324    H    LEU  15           H        LEU  15   8.949  -1.374   7.373
  325    HA   LEU  15           HA       LEU  15   9.248  -4.227   6.954
  326   1HB   LEU  15          1HB       LEU  15   6.873  -3.414   6.248
  327   2HB   LEU  15          2HB       LEU  15   7.706  -2.719   4.872
  328    HG   LEU  15           HG       LEU  15   6.734  -4.883   4.313
  329   1HD1  LEU  15          1HD1      LEU  15   8.673  -4.351   3.067
  330   2HD1  LEU  15          2HD1      LEU  15   8.824  -6.042   3.543
  331   3HD1  LEU  15          3HD1      LEU  15   9.738  -4.801   4.400
  332   1HD2  LEU  15          1HD2      LEU  15   7.157  -5.670   6.792
  333   2HD2  LEU  15          2HD2      LEU  15   8.636  -6.320   6.086
  334   3HD2  LEU  15          3HD2      LEU  15   7.065  -6.824   5.462
  335    H    GLU  16           H        GLU  16  11.159  -4.522   6.067
  336    HA   GLU  16           HA       GLU  16  12.524  -2.311   4.777
  337   1HB   GLU  16          1HB       GLU  16  13.714  -3.675   6.437
  338   2HB   GLU  16          2HB       GLU  16  13.477  -5.104   5.444
  339   1HG   GLU  16          1HG       GLU  16  14.920  -2.725   4.353
  340   2HG   GLU  16          2HG       GLU  16  15.748  -3.879   5.395
  341    H    VAL  17           H        VAL  17  12.935  -2.120   2.657
  342    HA   VAL  17           HA       VAL  17  12.580  -4.400   0.877
  343    HB   VAL  17           HB       VAL  17  11.133  -3.113  -0.675
  344   1HG1  VAL  17          1HG1      VAL  17  10.364  -4.678   1.318
  345   2HG1  VAL  17          2HG1      VAL  17   9.202  -3.847   0.285
  346   3HG1  VAL  17          3HG1      VAL  17   9.604  -3.185   1.869
  347   1HG2  VAL  17          1HG2      VAL  17  10.479  -1.242   1.564
  348   2HG2  VAL  17          2HG2      VAL  17  10.193  -1.061  -0.167
  349   3HG2  VAL  17          3HG2      VAL  17  11.824  -0.891   0.479
  350    H    GLU  18           H        GLU  18  14.052  -4.400  -0.695
  351    HA   GLU  18           HA       GLU  18  15.961  -2.271  -0.865
  352   1HB   GLU  18          1HB       GLU  18  15.645  -4.743  -2.578
  353   2HB   GLU  18          2HB       GLU  18  17.037  -3.671  -2.584
  354   1HG   GLU  18          1HG       GLU  18  16.100  -5.275  -0.216
  355   2HG   GLU  18          2HG       GLU  18  17.412  -5.731  -1.300
  356    H    SER  19           H        SER  19  16.183  -0.722  -2.395
  357    HA   SER  19           HA       SER  19  13.969   0.142  -3.855
  358   1HB   SER  19          1HB       SER  19  15.799   1.642  -3.216
  359   2HB   SER  19          2HB       SER  19  16.893   0.790  -4.305
  360    HG   SER  19           HG       SER  19  15.614   1.480  -6.042
  361    H    SER  20           H        SER  20  16.735  -1.819  -4.833
  362    HA   SER  20           HA       SER  20  16.264  -1.841  -7.593
  363   1HB   SER  20          1HB       SER  20  17.500  -4.010  -5.879
  364   2HB   SER  20          2HB       SER  20  17.648  -3.876  -7.631
  365    HG   SER  20           HG       SER  20  19.076  -2.336  -7.398
  366    H    ASP  21           H        ASP  21  15.157  -4.089  -5.064
  367    HA   ASP  21           HA       ASP  21  13.784  -5.850  -6.767
  368   1HB   ASP  21          1HB       ASP  21  13.309  -5.190  -3.856
  369   2HB   ASP  21          2HB       ASP  21  12.538  -6.524  -4.706
  370    H    THR  22           H        THR  22  11.774  -5.876  -7.614
  371    HA   THR  22           HA       THR  22  10.375  -3.408  -7.864
  372    HB   THR  22           HB       THR  22   8.747  -4.676  -9.196
  373    HG1  THR  22           HG1      THR  22  10.227  -7.035  -8.927
  374   1HG2  THR  22          1HG2      THR  22  10.328  -5.564 -10.907
  375   2HG2  THR  22          2HG2      THR  22  11.639  -5.335  -9.749
  376   3HG2  THR  22          3HG2      THR  22  10.731  -3.943 -10.341
  377    H    ILE  23           H        ILE  23   7.685  -4.597  -7.889
  378    HA   ILE  23           HA       ILE  23   7.028  -4.104  -5.126
  379    HB   ILE  23           HB       ILE  23   5.212  -4.859  -7.417
  380   1HG1  ILE  23          1HG1      ILE  23   6.417  -2.761  -7.846
  381   2HG1  ILE  23          2HG1      ILE  23   4.705  -2.465  -7.565
  382   1HG2  ILE  23          1HG2      ILE  23   3.659  -5.082  -5.841
  383   2HG2  ILE  23          2HG2      ILE  23   3.816  -3.352  -5.535
  384   3HG2  ILE  23          3HG2      ILE  23   4.760  -4.504  -4.590
  385   1HD1  ILE  23          1HD1      ILE  23   6.082  -2.285  -5.081
  386   2HD1  ILE  23          2HD1      ILE  23   5.204  -1.034  -5.960
  387   3HD1  ILE  23          3HD1      ILE  23   6.919  -1.297  -6.278
  388    H    ASP  24           H        ASP  24   6.954  -6.846  -7.353
  389    HA   ASP  24           HA       ASP  24   5.518  -8.689  -5.908
  390   1HB   ASP  24          1HB       ASP  24   6.374  -9.082  -8.184
  391   2HB   ASP  24          2HB       ASP  24   8.006  -9.230  -7.542
  392    H    ASN  25           H        ASN  25   8.993  -7.980  -5.613
  393    HA   ASN  25           HA       ASN  25   9.563  -9.911  -3.660
  394   1HB   ASN  25          1HB       ASN  25  11.333  -8.769  -4.890
  395   2HB   ASN  25          2HB       ASN  25  10.888  -7.233  -4.151
  396   1HD2  ASN  25          1HD2      ASN  25  12.195  -6.644  -2.591
  397   2HD2  ASN  25          2HD2      ASN  25  13.039  -7.692  -1.508
  398    H    VAL  26           H        VAL  26   8.554  -6.528  -3.362
  399    HA   VAL  26           HA       VAL  26   8.717  -6.274  -0.588
  400    HB   VAL  26           HB       VAL  26   6.685  -4.993  -2.426
  401   1HG1  VAL  26          1HG1      VAL  26   7.547  -3.433  -0.147
  402   2HG1  VAL  26          2HG1      VAL  26   6.797  -4.951   0.346
  403   3HG1  VAL  26          3HG1      VAL  26   5.917  -3.829  -0.692
  404   1HG2  VAL  26          1HG2      VAL  26   9.476  -4.184  -1.642
  405   2HG2  VAL  26          2HG2      VAL  26   8.307  -3.062  -2.339
  406   3HG2  VAL  26          3HG2      VAL  26   8.840  -4.467  -3.263
  407    H    LYS  27           H        LYS  27   6.073  -7.438  -2.631
  408    HA   LYS  27           HA       LYS  27   4.195  -7.819  -0.569
  409   1HB   LYS  27          1HB       LYS  27   4.432  -9.229  -3.232
  410   2HB   LYS  27          2HB       LYS  27   3.019  -9.266  -2.187
  411   1HG   LYS  27          1HG       LYS  27   4.176  -6.810  -3.489
  412   2HG   LYS  27          2HG       LYS  27   2.742  -7.688  -4.022
  413   1HD   LYS  27          1HD       LYS  27   1.637  -7.182  -1.902
  414   2HD   LYS  27          2HD       LYS  27   3.077  -6.324  -1.348
  415   1HE   LYS  27          1HE       LYS  27   1.391  -4.763  -2.159
  416   2HE   LYS  27          2HE       LYS  27   2.829  -4.723  -3.178
  417   1HZ   LYS  27          1HZ       LYS  27   1.564  -6.379  -4.625
  418   2HZ   LYS  27          2HZ       LYS  27   1.067  -4.763  -4.670
  419   3HZ   LYS  27          3HZ       LYS  27   0.185  -5.894  -3.773
  420    H    SER  28           H        SER  28   6.700  -9.901  -1.918
  421    HA   SER  28           HA       SER  28   5.948 -12.298  -0.674
  422   1HB   SER  28          1HB       SER  28   7.641 -12.193  -2.459
  423   2HB   SER  28          2HB       SER  28   8.735 -11.335  -1.374
  424    HG   SER  28           HG       SER  28   7.707 -13.946  -0.938
  425    H    LYS  29           H        LYS  29   8.177  -9.743   0.399
  426    HA   LYS  29           HA       LYS  29   8.889 -10.922   2.849
  427   1HB   LYS  29          1HB       LYS  29   8.776  -8.000   2.079
  428   2HB   LYS  29          2HB       LYS  29   9.565  -8.627   3.519
  429   1HG   LYS  29          1HG       LYS  29  11.123  -9.885   2.138
  430   2HG   LYS  29          2HG       LYS  29  10.315  -9.304   0.682
  431   1HD   LYS  29          1HD       LYS  29  10.905  -7.005   1.271
  432   2HD   LYS  29          2HD       LYS  29  11.700  -7.580   2.738
  433   1HE   LYS  29          1HE       LYS  29  12.484  -8.276  -0.091
  434   2HE   LYS  29          2HE       LYS  29  13.314  -7.127   0.957
  435   1HZ   LYS  29          1HZ       LYS  29  14.114  -9.598   0.746
  436   2HZ   LYS  29          2HZ       LYS  29  12.938  -9.862   1.931
  437   3HZ   LYS  29          3HZ       LYS  29  14.202  -8.778   2.224
  438    H    ILE  30           H        ILE  30   6.353  -8.568   2.046
  439    HA   ILE  30           HA       ILE  30   5.365  -8.208   4.650
  440    HB   ILE  30           HB       ILE  30   3.923  -7.970   2.000
  441   1HG1  ILE  30          1HG1      ILE  30   5.182  -5.873   3.786
  442   2HG1  ILE  30          2HG1      ILE  30   5.876  -6.479   2.286
  443   1HG2  ILE  30          1HG2      ILE  30   2.380  -8.285   3.909
  444   2HG2  ILE  30          2HG2      ILE  30   2.235  -6.696   3.159
  445   3HG2  ILE  30          3HG2      ILE  30   3.098  -6.874   4.687
  446   1HD1  ILE  30          1HD1      ILE  30   3.151  -5.268   2.276
  447   2HD1  ILE  30          2HD1      ILE  30   4.340  -5.374   0.977
  448   3HD1  ILE  30          3HD1      ILE  30   4.582  -4.237   2.304
  449    H    GLN  31           H        GLN  31   4.572 -10.560   2.149
  450    HA   GLN  31           HA       GLN  31   2.330 -11.711   3.384
  451   1HB   GLN  31          1HB       GLN  31   2.850 -12.117   1.045
  452   2HB   GLN  31          2HB       GLN  31   4.346 -12.928   1.489
  453   1HG   GLN  31          1HG       GLN  31   3.055 -14.683   2.606
  454   2HG   GLN  31          2HG       GLN  31   1.562 -13.875   2.129
  455   1HE2  GLN  31          1HE2      GLN  31   0.626 -14.763   0.448
  456   2HE2  GLN  31          2HE2      GLN  31   1.418 -15.539  -0.877
  457    H    ASP  32           H        ASP  32   5.775 -12.515   3.571
  458    HA   ASP  32           HA       ASP  32   5.478 -14.805   5.184
  459   1HB   ASP  32          1HB       ASP  32   7.530 -14.295   3.918
  460   2HB   ASP  32          2HB       ASP  32   7.843 -12.929   4.983
  461    H    LYS  33           H        LYS  33   6.090 -11.405   6.024
  462    HA   LYS  33           HA       LYS  33   6.235 -11.924   8.832
  463   1HB   LYS  33          1HB       LYS  33   7.368 -10.007   7.771
  464   2HB   LYS  33          2HB       LYS  33   5.803  -9.310   7.380
  465   1HG   LYS  33          1HG       LYS  33   5.285  -9.119   9.758
  466   2HG   LYS  33          2HG       LYS  33   6.853  -9.824  10.156
  467   1HD   LYS  33          1HD       LYS  33   7.966  -7.945   9.026
  468   2HD   LYS  33          2HD       LYS  33   6.389  -7.236   8.673
  469   1HE   LYS  33          1HE       LYS  33   7.377  -6.178  10.624
  470   2HE   LYS  33          2HE       LYS  33   5.932  -7.080  11.077
  471   1HZ   LYS  33          1HZ       LYS  33   8.467  -8.502  11.249
  472   2HZ   LYS  33          2HZ       LYS  33   7.120  -8.562  12.270
  473   3HZ   LYS  33          3HZ       LYS  33   8.214  -7.277  12.388
  474    H    GLU  34           H        GLU  34   3.876  -9.938   7.039
  475    HA   GLU  34           HA       GLU  34   2.004  -9.883   9.136
  476   1HB   GLU  34          1HB       GLU  34   1.628  -9.371   6.185
  477   2HB   GLU  34          2HB       GLU  34   0.435  -8.999   7.423
  478   1HG   GLU  34          1HG       GLU  34   2.056  -7.482   8.489
  479   2HG   GLU  34          2HG       GLU  34   3.191  -7.814   7.182
  480    H    GLY  35           H        GLY  35   2.343 -12.045   6.369
  481   1HA   GLY  35          1HA       GLY  35   1.498 -14.212   6.190
  482   2HA   GLY  35          2HA       GLY  35   0.580 -13.947   7.665
  483    H    ILE  36           H        ILE  36   0.651 -12.237   4.551
  484    HA   ILE  36           HA       ILE  36  -2.114 -13.029   4.038
  485    HB   ILE  36           HB       ILE  36  -1.211 -10.150   4.199
  486   1HG1  ILE  36          1HG1      ILE  36  -3.354 -11.667   5.705
  487   2HG1  ILE  36          2HG1      ILE  36  -1.797 -11.171   6.361
  488   1HG2  ILE  36          1HG2      ILE  36  -3.952 -11.102   3.411
  489   2HG2  ILE  36          2HG2      ILE  36  -2.695 -10.737   2.229
  490   3HG2  ILE  36          3HG2      ILE  36  -3.286  -9.472   3.307
  491   1HD1  ILE  36          1HD1      ILE  36  -3.521  -9.057   5.216
  492   2HD1  ILE  36          2HD1      ILE  36  -2.436  -9.012   6.606
  493   3HD1  ILE  36          3HD1      ILE  36  -4.018  -9.780   6.745
  494    HA   PRO  37           HA       PRO  37  -0.433 -13.466  -0.057
  495   1HB   PRO  37          1HB       PRO  37  -2.822 -13.396  -1.421
  496   2HB   PRO  37          2HB       PRO  37  -2.171 -14.831  -0.623
  497   1HG   PRO  37          1HG       PRO  37  -4.228 -12.888   0.349
  498   2HG   PRO  37          2HG       PRO  37  -4.202 -14.656   0.487
  499   1HD   PRO  37          1HD       PRO  37  -3.548 -13.079   2.555
  500   2HD   PRO  37          2HD       PRO  37  -2.714 -14.620   2.265
  501    HA   PRO  38           HA       PRO  38  -0.005  -9.274  -1.459
  502   1HB   PRO  38          1HB       PRO  38   0.506 -10.521  -4.103
  503   2HB   PRO  38          2HB       PRO  38   1.513  -9.410  -3.168
  504   1HG   PRO  38          1HG       PRO  38   2.145 -11.989  -3.350
  505   2HG   PRO  38          2HG       PRO  38   2.363 -11.104  -1.827
  506   1HD   PRO  38          1HD       PRO  38   0.201 -13.019  -2.616
  507   2HD   PRO  38          2HD       PRO  38   1.042 -12.849  -1.061
  508    H    ASP  39           H        ASP  39  -1.837 -11.569  -3.449
  509    HA   ASP  39           HA       ASP  39  -3.124  -9.754  -5.119
  510   1HB   ASP  39          1HB       ASP  39  -4.175 -12.384  -4.058
  511   2HB   ASP  39          2HB       ASP  39  -4.819 -11.515  -5.448
  512    H    GLN  40           H        GLN  40  -4.185 -11.020  -1.966
  513    HA   GLN  40           HA       GLN  40  -6.653  -9.659  -1.924
  514   1HB   GLN  40          1HB       GLN  40  -4.953 -10.697   0.346
  515   2HB   GLN  40          2HB       GLN  40  -6.599 -10.107   0.530
  516   1HG   GLN  40          1HG       GLN  40  -5.746 -12.456  -1.148
  517   2HG   GLN  40          2HG       GLN  40  -6.521 -12.536   0.434
  518   1HE2  GLN  40          1HE2      GLN  40  -7.074 -12.839  -2.754
  519   2HE2  GLN  40          2HE2      GLN  40  -8.753 -12.435  -2.815
  520    H    GLN  41           H        GLN  41  -3.656  -8.890  -0.129
  521    HA   GLN  41           HA       GLN  41  -4.612  -6.377   0.757
  522   1HB   GLN  41          1HB       GLN  41  -2.279  -5.956   1.434
  523   2HB   GLN  41          2HB       GLN  41  -2.859  -7.527   1.967
  524   1HG   GLN  41          1HG       GLN  41  -1.671  -8.596   0.124
  525   2HG   GLN  41          2HG       GLN  41  -1.095  -7.020  -0.419
  526   1HE2  GLN  41          1HE2      GLN  41  -0.275  -9.703   1.270
  527   2HE2  GLN  41          2HE2      GLN  41   0.979  -9.054   2.265
  528    H    ARG  42           H        ARG  42  -4.533  -4.396  -0.113
  529    HA   ARG  42           HA       ARG  42  -3.101  -4.077  -2.674
  530   1HB   ARG  42          1HB       ARG  42  -5.620  -4.114  -2.835
  531   2HB   ARG  42          2HB       ARG  42  -5.640  -2.650  -1.864
  532   1HG   ARG  42          1HG       ARG  42  -5.844  -1.906  -4.063
  533   2HG   ARG  42          2HG       ARG  42  -4.147  -1.635  -3.663
  534   1HD   ARG  42          1HD       ARG  42  -5.216  -4.023  -5.165
  535   2HD   ARG  42          2HD       ARG  42  -4.471  -2.612  -5.912
  536    HE   ARG  42           HE       ARG  42  -3.127  -4.817  -4.763
  537   1HH1  ARG  42          1HH1      ARG  42  -2.928  -1.352  -5.076
  538   2HH1  ARG  42          2HH1      ARG  42  -1.206  -1.308  -4.901
  539   1HH2  ARG  42          1HH2      ARG  42  -0.861  -4.765  -4.529
  540   2HH2  ARG  42          2HH2      ARG  42  -0.032  -3.245  -4.587
  541    H    LEU  43           H        LEU  43  -1.577  -2.548  -2.671
  542    HA   LEU  43           HA       LEU  43  -1.402  -0.745  -0.385
  543   1HB   LEU  43          1HB       LEU  43   0.572  -1.377  -2.576
  544   2HB   LEU  43          2HB       LEU  43   0.875  -0.257  -1.262
  545    HG   LEU  43           HG       LEU  43   0.384  -3.224  -0.973
  546   1HD1  LEU  43          1HD1      LEU  43   2.566  -2.665  -1.944
  547   2HD1  LEU  43          2HD1      LEU  43   2.719  -3.334  -0.320
  548   3HD1  LEU  43          3HD1      LEU  43   2.892  -1.598  -0.578
  549   1HD2  LEU  43          1HD2      LEU  43   0.247  -2.976   1.252
  550   2HD2  LEU  43          2HD2      LEU  43  -0.195  -1.310   0.881
  551   3HD2  LEU  43          3HD2      LEU  43   1.475  -1.710   1.285
  552    H    ILE  44           H        ILE  44  -1.478   1.439  -0.498
  553    HA   ILE  44           HA       ILE  44  -1.802   2.693  -3.133
  554    HB   ILE  44           HB       ILE  44  -3.614   3.142  -0.758
  555   1HG1  ILE  44          1HG1      ILE  44  -4.157   2.105  -3.550
  556   2HG1  ILE  44          2HG1      ILE  44  -4.168   1.150  -2.071
  557   1HG2  ILE  44          1HG2      ILE  44  -4.770   4.779  -2.206
  558   2HG2  ILE  44          2HG2      ILE  44  -3.474   4.608  -3.389
  559   3HG2  ILE  44          3HG2      ILE  44  -3.127   5.268  -1.791
  560   1HD1  ILE  44          1HD1      ILE  44  -5.967   3.483  -2.124
  561   2HD1  ILE  44          2HD1      ILE  44  -6.216   1.864  -1.471
  562   3HD1  ILE  44          3HD1      ILE  44  -6.371   2.149  -3.204
  563    H    PHE  45           H        PHE  45  -0.943   4.715  -3.323
  564    HA   PHE  45           HA       PHE  45  -0.130   6.257  -1.039
  565   1HB   PHE  45          1HB       PHE  45   1.691   4.595  -1.155
  566   2HB   PHE  45          2HB       PHE  45   1.997   5.054  -2.826
  567    HD1  PHE  45           HD1      PHE  45   3.973   6.193  -3.014
  568    HD2  PHE  45           HD2      PHE  45   1.458   6.984   0.327
  569    HE1  PHE  45           HE1      PHE  45   5.542   7.925  -2.248
  570    HE2  PHE  45           HE2      PHE  45   3.022   8.720   1.099
  571    HZ   PHE  45           HZ       PHE  45   5.067   9.192  -0.190
  572    H    ALA  46           H        ALA  46   0.108   8.379  -1.545
  573    HA   ALA  46           HA       ALA  46  -0.155  10.294  -2.754
  574   1HB   ALA  46          1HB       ALA  46   1.773   8.659  -4.308
  575   2HB   ALA  46          2HB       ALA  46   1.978  10.238  -3.549
  576   3HB   ALA  46          3HB       ALA  46   1.114  10.101  -5.081
  577    H    GLY  47           H        GLY  47  -2.290   8.474  -2.923
  578   1HA   GLY  47          1HA       GLY  47  -4.230   8.136  -4.095
  579   2HA   GLY  47          2HA       GLY  47  -3.774   9.540  -5.048
  580    H    LYS  48           H        LYS  48  -1.948   6.531  -4.799
  581    HA   LYS  48           HA       LYS  48  -2.865   5.638  -7.409
  582   1HB   LYS  48          1HB       LYS  48   0.021   6.381  -6.890
  583   2HB   LYS  48          2HB       LYS  48  -0.539   5.480  -8.291
  584   1HG   LYS  48          1HG       LYS  48  -1.880   7.392  -8.993
  585   2HG   LYS  48          2HG       LYS  48  -1.335   8.296  -7.578
  586   1HD   LYS  48          1HD       LYS  48   0.978   8.131  -8.369
  587   2HD   LYS  48          2HD       LYS  48   0.429   7.232  -9.785
  588   1HE   LYS  48          1HE       LYS  48   0.805   9.574 -10.337
  589   2HE   LYS  48          2HE       LYS  48  -0.901   9.158 -10.492
  590   1HZ   LYS  48          1HZ       LYS  48   0.342  10.570  -8.193
  591   2HZ   LYS  48          2HZ       LYS  48  -1.293  10.152  -8.317
  592   3HZ   LYS  48          3HZ       LYS  48  -0.625  11.278  -9.388
  593    H    GLN  49           H        GLN  49  -3.011   3.491  -7.421
  594    HA   GLN  49           HA       GLN  49  -2.079   1.961  -5.184
  595   1HB   GLN  49          1HB       GLN  49  -3.396   1.080  -7.761
  596   2HB   GLN  49          2HB       GLN  49  -3.102   0.041  -6.375
  597   1HG   GLN  49          1HG       GLN  49  -5.385   0.718  -6.343
  598   2HG   GLN  49          2HG       GLN  49  -4.549   1.525  -5.018
  599   1HE2  GLN  49          1HE2      GLN  49  -5.109   3.553  -4.764
  600   2HE2  GLN  49          2HE2      GLN  49  -5.613   4.642  -6.007
  601    H    LEU  50           H        LEU  50  -0.308   0.713  -5.016
  602    HA   LEU  50           HA       LEU  50   1.758   0.945  -6.966
  603   1HB   LEU  50          1HB       LEU  50   1.488  -0.684  -4.451
  604   2HB   LEU  50          2HB       LEU  50   2.895  -0.806  -5.487
  605    HG   LEU  50           HG       LEU  50   3.332   1.609  -5.139
  606   1HD1  LEU  50          1HD1      LEU  50   0.722   1.476  -3.886
  607   2HD1  LEU  50          2HD1      LEU  50   1.644   2.874  -4.441
  608   3HD1  LEU  50          3HD1      LEU  50   1.934   2.208  -2.834
  609   1HD2  LEU  50          1HD2      LEU  50   3.822  -0.515  -3.437
  610   2HD2  LEU  50          2HD2      LEU  50   3.238   0.761  -2.370
  611   3HD2  LEU  50          3HD2      LEU  50   4.627   1.054  -3.417
  612    H    GLU  51           H        GLU  51   2.320  -0.359  -8.591
  613    HA   GLU  51           HA       GLU  51   0.574  -2.369  -9.520
  614   1HB   GLU  51          1HB       GLU  51   2.365  -0.828 -10.719
  615   2HB   GLU  51          2HB       GLU  51   3.396  -2.229 -10.459
  616   1HG   GLU  51          1HG       GLU  51   1.776  -3.629 -11.645
  617   2HG   GLU  51          2HG       GLU  51   0.773  -2.205 -11.916
  618    H    ASP  52           H        ASP  52   2.794  -4.131 -10.415
  619    HA   ASP  52           HA       ASP  52   3.749  -5.428  -8.024
  620   1HB   ASP  52          1HB       ASP  52   2.639  -7.585  -8.495
  621   2HB   ASP  52          2HB       ASP  52   1.485  -6.315  -8.104
  622    H    GLY  53           H        GLY  53   5.186  -4.287 -10.058
  623   1HA   GLY  53          1HA       GLY  53   6.998  -6.279 -10.760
  624   2HA   GLY  53          2HA       GLY  53   5.916  -6.078 -12.130
  625    H    ARG  54           H        ARG  54   7.219  -3.665  -9.869
  626    HA   ARG  54           HA       ARG  54   8.898  -2.540 -11.958
  627   1HB   ARG  54          1HB       ARG  54   6.609  -1.043 -10.682
  628   2HB   ARG  54          2HB       ARG  54   7.921  -0.256 -11.543
  629   1HG   ARG  54          1HG       ARG  54   6.058  -2.293 -12.742
  630   2HG   ARG  54          2HG       ARG  54   5.895  -0.544 -12.912
  631   1HD   ARG  54          1HD       ARG  54   8.040  -0.427 -14.037
  632   2HD   ARG  54          2HD       ARG  54   8.287  -2.156 -13.798
  633    HE   ARG  54           HE       ARG  54   5.887  -1.798 -15.183
  634   1HH1  ARG  54          1HH1      ARG  54   9.308  -1.335 -15.666
  635   2HH1  ARG  54          2HH1      ARG  54   9.229  -1.583 -17.378
  636   1HH2  ARG  54          1HH2      ARG  54   5.777  -2.129 -17.435
  637   2HH2  ARG  54          2HH2      ARG  54   7.223  -2.036 -18.383
  638    H    THR  55           H        THR  55  10.666  -1.520 -11.183
  639    HA   THR  55           HA       THR  55  11.485  -1.951  -8.541
  640    HB   THR  55           HB       THR  55  13.387  -0.471  -9.050
  641    HG1  THR  55           HG1      THR  55  11.997   0.021 -11.493
  642   1HG2  THR  55          1HG2      THR  55  13.572  -2.739  -9.805
  643   2HG2  THR  55          2HG2      THR  55  14.202  -1.693 -11.077
  644   3HG2  THR  55          3HG2      THR  55  12.593  -2.398 -11.231
  645    H    LEU  56           H        LEU  56  11.493  -0.734  -6.726
  646    HA   LEU  56           HA       LEU  56   9.551   1.256  -6.369
  647   1HB   LEU  56          1HB       LEU  56  11.963   0.642  -4.661
  648   2HB   LEU  56          2HB       LEU  56  10.588   1.608  -4.163
  649    HG   LEU  56           HG       LEU  56  10.518  -1.332  -4.852
  650   1HD1  LEU  56          1HD1      LEU  56  11.574  -0.416  -2.633
  651   2HD1  LEU  56          2HD1      LEU  56  10.488  -1.806  -2.611
  652   3HD1  LEU  56          3HD1      LEU  56   9.885  -0.208  -2.168
  653   1HD2  LEU  56          1HD2      LEU  56   8.372   0.621  -4.069
  654   2HD2  LEU  56          2HD2      LEU  56   8.197  -1.118  -3.832
  655   3HD2  LEU  56          3HD2      LEU  56   8.416  -0.468  -5.456
  656    H    SER  57           H        SER  57  12.886   1.435  -7.323
  657    HA   SER  57           HA       SER  57  13.579   4.019  -6.658
  658   1HB   SER  57          1HB       SER  57  15.103   3.957  -8.604
  659   2HB   SER  57          2HB       SER  57  15.152   2.452  -7.685
  660    HG   SER  57           HG       SER  57  13.472   1.769  -9.309
  661    H    ASP  58           H        ASP  58  11.677   2.906  -9.430
  662    HA   ASP  58           HA       ASP  58  11.475   5.365 -10.763
  663   1HB   ASP  58          1HB       ASP  58  10.827   3.238 -11.803
  664   2HB   ASP  58          2HB       ASP  58   9.482   3.087 -10.676
  665    H    TYR  59           H        TYR  59   9.364   3.863  -8.338
  666    HA   TYR  59           HA       TYR  59   7.504   6.000  -8.235
  667   1HB   TYR  59          1HB       TYR  59   8.120   3.806  -6.244
  668   2HB   TYR  59          2HB       TYR  59   6.789   4.941  -6.071
  669    HD1  TYR  59           HD1      TYR  59   8.078   2.943  -8.971
  670    HD2  TYR  59           HD2      TYR  59   4.787   3.873  -6.440
  671    HE1  TYR  59           HE1      TYR  59   6.638   1.466 -10.310
  672    HE2  TYR  59           HE2      TYR  59   3.340   2.399  -7.772
  673    HH   TYR  59           HH       TYR  59   4.013   0.167  -9.431
  674    H    ASN  60           H        ASN  60  10.664   5.697  -7.126
  675    HA   ASN  60           HA       ASN  60  11.980   6.810  -5.641
  676   1HB   ASN  60          1HB       ASN  60  11.791   9.260  -5.756
  677   2HB   ASN  60          2HB       ASN  60  11.673   8.522  -7.348
  678   1HD2  ASN  60          1HD2      ASN  60  10.172   9.341  -8.594
  679   2HD2  ASN  60          2HD2      ASN  60   8.705  10.092  -8.074
  680    H    ILE  61           H        ILE  61  10.012   5.436  -4.303
  681    HA   ILE  61           HA       ILE  61   8.508   6.957  -2.480
  682    HB   ILE  61           HB       ILE  61   9.626   4.175  -2.106
  683   1HG1  ILE  61          1HG1      ILE  61   6.932   5.061  -3.167
  684   2HG1  ILE  61          2HG1      ILE  61   8.253   4.452  -4.159
  685   1HG2  ILE  61          1HG2      ILE  61   8.741   4.260  -0.072
  686   2HG2  ILE  61          2HG2      ILE  61   7.153   4.478  -0.807
  687   3HG2  ILE  61          3HG2      ILE  61   8.122   5.885  -0.369
  688   1HD1  ILE  61          1HD1      ILE  61   6.307   3.016  -2.525
  689   2HD1  ILE  61          2HD1      ILE  61   7.968   2.455  -2.333
  690   3HD1  ILE  61          3HD1      ILE  61   7.227   2.485  -3.933
  691    H    GLN  62           H        GLN  62   9.163   8.213  -0.874
  692    HA   GLN  62           HA       GLN  62  11.885   8.319  -0.040
  693   1HB   GLN  62          1HB       GLN  62  11.217  10.101   1.422
  694   2HB   GLN  62          2HB       GLN  62  10.385  10.303  -0.111
  695   1HG   GLN  62          1HG       GLN  62   9.158   9.091   2.356
  696   2HG   GLN  62          2HG       GLN  62   8.984  10.775   1.869
  697   1HE2  GLN  62          1HE2      GLN  62   7.370  11.293   0.558
  698   2HE2  GLN  62          2HE2      GLN  62   6.368  10.173  -0.294
  699    H    LYS  63           H        LYS  63  12.818   7.729   1.899
  700    HA   LYS  63           HA       LYS  63  12.028   5.352   3.078
  701   1HB   LYS  63          1HB       LYS  63  13.658   5.859   4.849
  702   2HB   LYS  63          2HB       LYS  63  14.303   6.198   3.249
  703   1HG   LYS  63          1HG       LYS  63  13.835   8.583   3.579
  704   2HG   LYS  63          2HG       LYS  63  13.229   8.226   5.198
  705   1HD   LYS  63          1HD       LYS  63  15.420   7.369   5.839
  706   2HD   LYS  63          2HD       LYS  63  16.030   7.680   4.213
  707   1HE   LYS  63          1HE       LYS  63  15.600  10.072   4.516
  708   2HE   LYS  63          2HE       LYS  63  15.001   9.757   6.143
  709   1HZ   LYS  63          1HZ       LYS  63  17.506   8.584   5.976
  710   2HZ   LYS  63          2HZ       LYS  63  17.074   9.964   6.854
  711   3HZ   LYS  63          3HZ       LYS  63  17.663  10.116   5.276
  712    H    GLU  64           H        GLU  64  11.074   4.810   5.050
  713    HA   GLU  64           HA       GLU  64   9.534   4.923   6.716
  714   1HB   GLU  64          1HB       GLU  64  10.386   7.822   6.829
  715   2HB   GLU  64          2HB       GLU  64   9.421   7.003   8.048
  716   1HG   GLU  64          1HG       GLU  64  12.236   6.276   7.271
  717   2HG   GLU  64          2HG       GLU  64  11.769   7.201   8.697
  718    H    SER  65           H        SER  65   8.629   5.173   4.070
  719    HA   SER  65           HA       SER  65   6.611   7.251   4.024
  720   1HB   SER  65          1HB       SER  65   7.787   6.669   1.951
  721   2HB   SER  65          2HB       SER  65   7.176   5.019   2.060
  722    HG   SER  65           HG       SER  65   5.040   5.960   1.956
  723    H    THR  66           H        THR  66   4.466   7.005   4.324
  724    HA   THR  66           HA       THR  66   3.560   4.533   5.554
  725    HB   THR  66           HB       THR  66   2.096   7.147   5.109
  726    HG1  THR  66           HG1      THR  66   3.155   7.750   6.830
  727   1HG2  THR  66          1HG2      THR  66   0.338   5.718   5.420
  728   2HG2  THR  66          2HG2      THR  66   0.752   6.026   7.106
  729   3HG2  THR  66          3HG2      THR  66   1.305   4.548   6.318
  730    H    LEU  67           H        LEU  67   2.230   3.062   4.602
  731    HA   LEU  67           HA       LEU  67   1.195   3.735   1.926
  732   1HB   LEU  67          1HB       LEU  67   2.146   1.037   2.887
  733   2HB   LEU  67          2HB       LEU  67   1.514   1.397   1.292
  734    HG   LEU  67           HG       LEU  67   4.082   2.477   2.459
  735   1HD1  LEU  67          1HD1      LEU  67   5.189   0.820   1.437
  736   2HD1  LEU  67          2HD1      LEU  67   4.140   0.860   0.020
  737   3HD1  LEU  67          3HD1      LEU  67   3.637  -0.017   1.465
  738   1HD2  LEU  67          1HD2      LEU  67   4.250   3.007  -0.161
  739   2HD2  LEU  67          2HD2      LEU  67   3.615   4.157   1.016
  740   3HD2  LEU  67          3HD2      LEU  67   2.508   3.175   0.056
  741    H    HIS  68           H        HIS  68  -0.928   3.672   1.741
  742    HA   HIS  68           HA       HIS  68  -2.585   2.757   3.876
  743   1HB   HIS  68          1HB       HIS  68  -3.096   3.955   1.174
  744   2HB   HIS  68          2HB       HIS  68  -4.426   3.301   2.127
  745    HD1  HIS  68           HD1      HIS  68  -1.466   5.441   3.211
  746    HD2  HIS  68           HD2      HIS  68  -5.617   5.473   3.201
  747    HE1  HIS  68           HE1      HIS  68  -2.132   7.498   4.501
  748    HE2  HIS  68           HE2      HIS  68  -4.636   7.384   4.636
  749    H    LEU  69           H        LEU  69  -3.467   0.850   4.188
  750    HA   LEU  69           HA       LEU  69  -3.063  -1.259   2.225
  751   1HB   LEU  69          1HB       LEU  69  -2.490  -1.566   4.621
  752   2HB   LEU  69          2HB       LEU  69  -4.187  -1.391   5.023
  753    HG   LEU  69           HG       LEU  69  -4.584  -3.411   3.496
  754   1HD1  LEU  69          1HD1      LEU  69  -2.191  -3.172   2.572
  755   2HD1  LEU  69          2HD1      LEU  69  -2.813  -4.788   2.910
  756   3HD1  LEU  69          3HD1      LEU  69  -1.707  -4.013   4.046
  757   1HD2  LEU  69          1HD2      LEU  69  -4.373  -3.234   6.116
  758   2HD2  LEU  69          2HD2      LEU  69  -2.926  -4.202   5.835
  759   3HD2  LEU  69          3HD2      LEU  69  -4.501  -4.797   5.311
  760    H    VAL  70           H        VAL  70  -4.691  -2.520   1.325
  761    HA   VAL  70           HA       VAL  70  -7.474  -1.855   1.909
  762    HB   VAL  70           HB       VAL  70  -6.366  -1.770  -0.908
  763   1HG1  VAL  70          1HG1      VAL  70  -8.445  -2.571  -1.337
  764   2HG1  VAL  70          2HG1      VAL  70  -8.876  -0.867  -1.162
  765   3HG1  VAL  70          3HG1      VAL  70  -9.107  -1.982   0.188
  766   1HG2  VAL  70          1HG2      VAL  70  -7.558   0.595  -0.623
  767   2HG2  VAL  70          2HG2      VAL  70  -5.863   0.334  -0.207
  768   3HG2  VAL  70          3HG2      VAL  70  -7.093   0.327   1.058
  769    H    LEU  71           H        LEU  71  -7.795  -3.878   2.744
  770    HA   LEU  71           HA       LEU  71  -6.903  -6.261   1.466
  771   1HB   LEU  71          1HB       LEU  71  -8.954  -5.851   3.640
  772   2HB   LEU  71          2HB       LEU  71  -8.322  -7.408   3.140
  773    HG   LEU  71           HG       LEU  71  -6.697  -5.175   4.365
  774   1HD1  LEU  71          1HD1      LEU  71  -6.931  -6.145   6.387
  775   2HD1  LEU  71          2HD1      LEU  71  -7.006  -7.775   5.717
  776   3HD1  LEU  71          3HD1      LEU  71  -8.436  -6.743   5.688
  777   1HD2  LEU  71          1HD2      LEU  71  -4.948  -6.221   3.469
  778   2HD2  LEU  71          2HD2      LEU  71  -5.954  -7.548   2.889
  779   3HD2  LEU  71          3HD2      LEU  71  -5.313  -7.581   4.531
  780    H    ARG  72           H        ARG  72  -7.840  -7.511   0.009
  781    HA   ARG  72           HA       ARG  72 -10.133  -6.623  -1.418
  782   1HB   ARG  72          1HB       ARG  72  -8.381  -7.821  -2.571
  783   2HB   ARG  72          2HB       ARG  72  -8.581  -9.214  -1.518
  784   1HG   ARG  72          1HG       ARG  72  -9.577  -9.664  -3.660
  785   2HG   ARG  72          2HG       ARG  72 -10.841  -9.553  -2.434
  786   1HD   ARG  72          1HD       ARG  72 -11.334  -7.271  -3.137
  787   2HD   ARG  72          2HD       ARG  72 -10.049  -7.353  -4.340
  788    HE   ARG  72           HE       ARG  72 -12.685  -8.281  -4.657
  789   1HH1  ARG  72          1HH1      ARG  72  -9.397  -9.209  -5.360
  790   2HH1  ARG  72          2HH1      ARG  72  -9.830 -10.179  -6.729
  791   1HH2  ARG  72          1HH2      ARG  72 -13.258  -9.556  -6.457
  792   2HH2  ARG  72          2HH2      ARG  72 -12.022 -10.376  -7.351
  793    H    LEU  73           H        LEU  73 -12.228  -7.288  -1.349
  794    HA   LEU  73           HA       LEU  73 -13.253  -8.433   1.003
  795   1HB   LEU  73          1HB       LEU  73 -14.526  -8.145  -1.720
  796   2HB   LEU  73          2HB       LEU  73 -15.391  -8.595  -0.263
  797    HG   LEU  73           HG       LEU  73 -13.965  -5.966  -0.682
  798   1HD1  LEU  73          1HD1      LEU  73 -16.917  -6.208  -0.436
  799   2HD1  LEU  73          2HD1      LEU  73 -16.171  -6.609  -1.982
  800   3HD1  LEU  73          3HD1      LEU  73 -15.945  -5.005  -1.284
  801   1HD2  LEU  73          1HD2      LEU  73 -15.952  -6.004   1.388
  802   2HD2  LEU  73          2HD2      LEU  73 -14.243  -5.582   1.489
  803   3HD2  LEU  73          3HD2      LEU  73 -14.749  -7.261   1.681
  804    H    ARG  74           H        ARG  74 -13.727 -10.480   1.587
  805    HA   ARG  74           HA       ARG  74 -12.528 -12.648   0.269
  806   1HB   ARG  74          1HB       ARG  74 -13.029 -12.653   2.673
  807   2HB   ARG  74          2HB       ARG  74 -14.752 -12.671   2.318
  808   1HG   ARG  74          1HG       ARG  74 -14.506 -14.855   1.243
  809   2HG   ARG  74          2HG       ARG  74 -12.781 -14.837   1.613
  810   1HD   ARG  74          1HD       ARG  74 -15.020 -14.764   3.633
  811   2HD   ARG  74          2HD       ARG  74 -14.048 -16.178   3.227
  812    HE   ARG  74           HE       ARG  74 -13.360 -14.150   5.054
  813   1HH1  ARG  74          1HH1      ARG  74 -11.943 -16.110   2.539
  814   2HH1  ARG  74          2HH1      ARG  74 -10.349 -16.045   3.212
  815   1HH2  ARG  74          1HH2      ARG  74 -11.266 -14.063   5.942
  816   2HH2  ARG  74          2HH2      ARG  74  -9.965 -14.883   5.146
  817    H    GLY  75           H        GLY  75 -13.199 -13.994  -1.289
  818   1HA   GLY  75          1HA       GLY  75 -15.418 -13.369  -2.896
  819   2HA   GLY  75          2HA       GLY  75 -14.488 -14.857  -2.979
  820    H    GLY  76           H        GLY  76 -14.979 -15.925  -0.468
  821   1HA   GLY  76          1HA       GLY  76 -17.676 -15.930   0.322
  822   2HA   GLY  76          2HA       GLY  76 -17.446 -17.205  -0.866
  Start of MODEL   12
    1   1H    TYR 255          1H        TYR 255  24.999  -1.983  -8.026
    2   2H    TYR 255          2H        TYR 255  24.445  -0.397  -7.829
    3   3H    TYR 255          3H        TYR 255  23.417  -1.578  -8.471
    4    HA   TYR 255           HA       TYR 255  23.978  -2.756  -6.194
    5   1HB   TYR 255          1HB       TYR 255  24.227   0.221  -5.705
    6   2HB   TYR 255          2HB       TYR 255  23.960  -0.959  -4.428
    7    HD1  TYR 255           HD1      TYR 255  25.859  -1.260  -3.169
    8    HD2  TYR 255           HD2      TYR 255  26.270  -0.810  -7.381
    9    HE1  TYR 255           HE1      TYR 255  28.286  -1.591  -2.963
   10    HE2  TYR 255           HE2      TYR 255  28.698  -1.144  -7.186
   11    HH   TYR 255           HH       TYR 255  30.240  -1.618  -4.022
   12    HA   PRO 256           HA       PRO 256  19.545  -2.572  -6.496
   13   1HB   PRO 256          1HB       PRO 256  19.622  -3.658  -3.737
   14   2HB   PRO 256          2HB       PRO 256  18.840  -4.309  -5.182
   15   1HG   PRO 256          1HG       PRO 256  21.058  -5.425  -4.211
   16   2HG   PRO 256          2HG       PRO 256  20.794  -5.287  -5.960
   17   1HD   PRO 256          1HD       PRO 256  22.525  -3.628  -4.165
   18   2HD   PRO 256          2HD       PRO 256  22.847  -4.223  -5.808
   19    H    GLU 257           H        GLU 257  18.145  -0.989  -6.068
   20    HA   GLU 257           HA       GLU 257  18.803   1.173  -4.381
   21   1HB   GLU 257          1HB       GLU 257  16.157   0.436  -5.642
   22   2HB   GLU 257          2HB       GLU 257  16.518   1.985  -4.893
   23   1HG   GLU 257          1HG       GLU 257  18.271   2.377  -6.548
   24   2HG   GLU 257          2HG       GLU 257  17.902   0.827  -7.302
   25    H    ASP 258           H        ASP 258  18.121   1.761  -2.373
   26    HA   ASP 258           HA       ASP 258  17.520  -0.196  -0.488
   27   1HB   ASP 258          1HB       ASP 258  18.517   1.992   0.065
   28   2HB   ASP 258          2HB       ASP 258  16.986   2.778  -0.305
   29    H    GLU 259           H        GLU 259  15.381   2.046  -2.193
   30    HA   GLU 259           HA       GLU 259  13.009   1.501  -0.836
   31   1HB   GLU 259          1HB       GLU 259  13.278   3.355  -2.425
   32   2HB   GLU 259          2HB       GLU 259  13.385   2.206  -3.752
   33   1HG   GLU 259          1HG       GLU 259  11.092   1.428  -3.154
   34   2HG   GLU 259          2HG       GLU 259  11.007   2.761  -2.004
   35    H    GLU 260           H        GLU 260  14.465  -0.111  -3.636
   36    HA   GLU 260           HA       GLU 260  12.357  -1.844  -4.240
   37   1HB   GLU 260          1HB       GLU 260  15.327  -2.302  -4.578
   38   2HB   GLU 260          2HB       GLU 260  14.058  -3.223  -5.374
   39   1HG   GLU 260          1HG       GLU 260  13.310  -1.185  -6.511
   40   2HG   GLU 260          2HG       GLU 260  14.612  -0.287  -5.733
   41    H    GLU 261           H        GLU 261  15.139  -2.301  -2.079
   42    HA   GLU 261           HA       GLU 261  14.537  -4.955  -1.352
   43   1HB   GLU 261          1HB       GLU 261  16.735  -3.914  -0.976
   44   2HB   GLU 261          2HB       GLU 261  16.023  -2.847   0.227
   45   1HG   GLU 261          1HG       GLU 261  15.453  -4.789   1.601
   46   2HG   GLU 261          2HG       GLU 261  16.192  -5.847   0.401
   47    H    LEU 262           H        LEU 262  13.652  -1.850   0.094
   48    HA   LEU 262           HA       LEU 262  12.351  -2.889   2.368
   49   1HB   LEU 262          1HB       LEU 262  13.073  -0.531   2.076
   50   2HB   LEU 262          2HB       LEU 262  11.792  -0.311   0.900
   51    HG   LEU 262           HG       LEU 262  10.115  -0.746   2.645
   52   1HD1  LEU 262          1HD1      LEU 262  12.237  -0.564   4.733
   53   2HD1  LEU 262          2HD1      LEU 262  11.878  -2.126   3.996
   54   3HD1  LEU 262          3HD1      LEU 262  10.608  -1.233   4.836
   55   1HD2  LEU 262          1HD2      LEU 262  11.388   1.542   2.165
   56   2HD2  LEU 262          2HD2      LEU 262  11.842   1.333   3.857
   57   3HD2  LEU 262          3HD2      LEU 262  10.138   1.394   3.403
   58    H    ILE 263           H        ILE 263  11.156  -1.956  -0.828
   59    HA   ILE 263           HA       ILE 263   8.436  -2.378  -0.439
   60    HB   ILE 263           HB       ILE 263  10.195  -2.505  -2.853
   61   1HG1  ILE 263          1HG1      ILE 263   7.872  -0.729  -2.109
   62   2HG1  ILE 263          2HG1      ILE 263   9.573  -0.321  -1.918
   63   1HG2  ILE 263          1HG2      ILE 263   7.500  -3.642  -2.606
   64   2HG2  ILE 263          2HG2      ILE 263   8.761  -3.959  -3.798
   65   3HG2  ILE 263          3HG2      ILE 263   7.723  -2.543  -3.968
   66   1HD1  ILE 263          1HD1      ILE 263   8.171   0.496  -3.988
   67   2HD1  ILE 263          2HD1      ILE 263   8.621  -1.088  -4.620
   68   3HD1  ILE 263          3HD1      ILE 263   9.872   0.058  -4.140
   69    H    ARG 264           H        ARG 264  10.900  -4.689  -1.643
   70    HA   ARG 264           HA       ARG 264   9.100  -6.827  -1.928
   71   1HB   ARG 264          1HB       ARG 264  11.033  -8.299  -2.002
   72   2HB   ARG 264          2HB       ARG 264  11.288  -6.874  -2.995
   73   1HG   ARG 264          1HG       ARG 264  12.715  -5.906  -1.298
   74   2HG   ARG 264          2HG       ARG 264  12.402  -7.273  -0.227
   75   1HD   ARG 264          1HD       ARG 264  13.752  -7.411  -2.922
   76   2HD   ARG 264          2HD       ARG 264  14.563  -7.489  -1.358
   77    HE   ARG 264           HE       ARG 264  12.620  -9.492  -1.427
   78   1HH1  ARG 264          1HH1      ARG 264  15.613  -8.679  -3.016
   79   2HH1  ARG 264          2HH1      ARG 264  16.042 -10.327  -3.328
   80   1HH2  ARG 264          1HH2      ARG 264  13.177 -11.662  -1.832
   81   2HH2  ARG 264          2HH2      ARG 264  14.657 -12.024  -2.656
   82    H    LYS 265           H        LYS 265  10.965  -5.690   0.854
   83    HA   LYS 265           HA       LYS 265  10.589  -7.885   2.544
   84   1HB   LYS 265          1HB       LYS 265  10.640  -4.931   3.196
   85   2HB   LYS 265          2HB       LYS 265  10.627  -6.192   4.419
   86   1HG   LYS 265          1HG       LYS 265  12.747  -7.061   3.484
   87   2HG   LYS 265          2HG       LYS 265  12.771  -5.695   2.367
   88   1HD   LYS 265          1HD       LYS 265  12.824  -4.140   4.240
   89   2HD   LYS 265          2HD       LYS 265  12.739  -5.487   5.377
   90   1HE   LYS 265          1HE       LYS 265  14.969  -4.943   3.422
   91   2HE   LYS 265          2HE       LYS 265  15.022  -4.668   5.162
   92   1HZ   LYS 265          1HZ       LYS 265  16.019  -6.702   4.998
   93   2HZ   LYS 265          2HZ       LYS 265  15.081  -7.200   3.681
   94   3HZ   LYS 265          3HZ       LYS 265  14.414  -7.184   5.235
   95    H    ALA 266           H        ALA 266   8.558  -5.057   1.934
   96    HA   ALA 266           HA       ALA 266   6.410  -5.806   3.607
   97   1HB   ALA 266          1HB       ALA 266   6.943  -3.538   2.416
   98   2HB   ALA 266          2HB       ALA 266   5.269  -4.005   2.721
   99   3HB   ALA 266          3HB       ALA 266   5.965  -4.219   1.115
  100    H    ILE 267           H        ILE 267   7.302  -6.597   0.314
  101    HA   ILE 267           HA       ILE 267   4.897  -7.694  -0.588
  102    HB   ILE 267           HB       ILE 267   7.730  -8.431  -1.313
  103   1HG1  ILE 267          1HG1      ILE 267   7.079  -6.110  -1.825
  104   2HG1  ILE 267          2HG1      ILE 267   7.329  -7.049  -3.292
  105   1HG2  ILE 267          1HG2      ILE 267   6.892  -9.609  -3.210
  106   2HG2  ILE 267          2HG2      ILE 267   5.236  -9.120  -2.854
  107   3HG2  ILE 267          3HG2      ILE 267   6.072 -10.245  -1.784
  108   1HD1  ILE 267          1HD1      ILE 267   5.365  -6.263  -3.959
  109   2HD1  ILE 267          2HD1      ILE 267   4.967  -5.673  -2.346
  110   3HD1  ILE 267          3HD1      ILE 267   4.636  -7.351  -2.778
  111    H    GLU 268           H        GLU 268   7.665  -9.275   0.989
  112    HA   GLU 268           HA       GLU 268   6.568 -11.861   1.045
  113   1HB   GLU 268          1HB       GLU 268   8.596 -10.589   2.889
  114   2HB   GLU 268          2HB       GLU 268   8.252 -12.311   2.811
  115   1HG   GLU 268          1HG       GLU 268   9.297 -10.658   0.522
  116   2HG   GLU 268          2HG       GLU 268  10.286 -11.661   1.582
  117    H    LEU 269           H        LEU 269   6.529  -9.234   3.431
  118    HA   LEU 269           HA       LEU 269   5.232 -10.587   5.499
  119   1HB   LEU 269          1HB       LEU 269   4.965  -7.672   4.752
  120   2HB   LEU 269          2HB       LEU 269   4.546  -8.373   6.302
  121    HG   LEU 269           HG       LEU 269   7.328  -8.227   5.135
  122   1HD1  LEU 269          1HD1      LEU 269   7.730  -6.394   6.416
  123   2HD1  LEU 269          2HD1      LEU 269   6.548  -6.852   7.642
  124   3HD1  LEU 269          3HD1      LEU 269   6.010  -6.143   6.120
  125   1HD2  LEU 269          1HD2      LEU 269   7.676  -8.784   7.742
  126   2HD2  LEU 269          2HD2      LEU 269   7.614 -10.017   6.483
  127   3HD2  LEU 269          3HD2      LEU 269   6.177  -9.662   7.441
  128    H    SER 270           H        SER 270   3.943  -8.925   2.674
  129    HA   SER 270           HA       SER 270   1.212  -9.066   3.377
  130   1HB   SER 270          1HB       SER 270   2.470  -8.959   0.624
  131   2HB   SER 270          2HB       SER 270   0.782  -8.613   0.997
  132    HG   SER 270           HG       SER 270   1.381  -6.666   1.454
  133    H    LEU 271           H        LEU 271   3.288 -11.182   1.434
  134    HA   LEU 271           HA       LEU 271   1.364 -12.992   0.566
  135   1HB   LEU 271          1HB       LEU 271   4.246 -13.543   1.276
  136   2HB   LEU 271          2HB       LEU 271   3.222 -14.587   0.310
  137    HG   LEU 271           HG       LEU 271   4.092 -11.796  -0.450
  138   1HD1  LEU 271          1HD1      LEU 271   5.350 -14.372  -0.736
  139   2HD1  LEU 271          2HD1      LEU 271   5.968 -12.768  -1.126
  140   3HD1  LEU 271          3HD1      LEU 271   5.008 -13.655  -2.310
  141   1HD2  LEU 271          1HD2      LEU 271   1.818 -12.641  -1.262
  142   2HD2  LEU 271          2HD2      LEU 271   2.735 -13.800  -2.224
  143   3HD2  LEU 271          3HD2      LEU 271   2.960 -12.069  -2.478
  144    H    LYS 272           H        LYS 272   3.309 -13.027   3.534
  145    HA   LYS 272           HA       LYS 272   2.390 -15.486   4.526
  146   1HB   LYS 272          1HB       LYS 272   3.315 -13.070   6.088
  147   2HB   LYS 272          2HB       LYS 272   3.206 -14.711   6.705
  148   1HG   LYS 272          1HG       LYS 272   4.951 -13.993   4.369
  149   2HG   LYS 272          2HG       LYS 272   5.504 -13.867   6.038
  150   1HD   LYS 272          1HD       LYS 272   6.245 -15.974   5.297
  151   2HD   LYS 272          2HD       LYS 272   4.824 -16.308   6.285
  152   1HE   LYS 272          1HE       LYS 272   4.839 -17.641   4.230
  153   2HE   LYS 272          2HE       LYS 272   3.464 -16.540   4.283
  154   1HZ   LYS 272          1HZ       LYS 272   5.986 -15.975   2.825
  155   2HZ   LYS 272          2HZ       LYS 272   4.557 -15.074   2.772
  156   3HZ   LYS 272          3HZ       LYS 272   4.601 -16.627   2.104
  157    H    GLU 273           H        GLU 273   1.168 -12.194   4.984
  158    HA   GLU 273           HA       GLU 273  -0.814 -12.768   6.877
  159   1HB   GLU 273          1HB       GLU 273  -0.100 -10.487   6.351
  160   2HB   GLU 273          2HB       GLU 273  -0.781 -10.633   4.736
  161   1HG   GLU 273          1HG       GLU 273  -3.014 -10.866   5.697
  162   2HG   GLU 273          2HG       GLU 273  -2.330 -10.715   7.315
  163    H    SER 274           H        SER 274  -0.929 -12.766   3.339
  164    HA   SER 274           HA       SER 274  -3.657 -13.211   2.996
  165   1HB   SER 274          1HB       SER 274  -1.357 -14.180   1.280
  166   2HB   SER 274          2HB       SER 274  -3.046 -14.120   0.777
  167    HG   SER 274           HG       SER 274  -1.956 -11.773   1.787
  168    H    ARG 275           H        ARG 275  -1.024 -15.491   3.548
  169    HA   ARG 275           HA       ARG 275  -1.012 -17.613   4.370
  170   1HB   ARG 275          1HB       ARG 275  -2.858 -16.963   5.850
  171   2HB   ARG 275          2HB       ARG 275  -4.012 -17.304   4.568
  172   1HG   ARG 275          1HG       ARG 275  -3.377 -19.657   4.606
  173   2HG   ARG 275          2HG       ARG 275  -2.201 -19.321   5.879
  174   1HD   ARG 275          1HD       ARG 275  -4.243 -20.238   6.823
  175   2HD   ARG 275          2HD       ARG 275  -4.013 -18.570   7.345
  176    HE   ARG 275           HE       ARG 275  -5.615 -18.550   5.058
  177   1HH1  ARG 275          1HH1      ARG 275  -5.758 -19.629   8.369
  178   2HH1  ARG 275          2HH1      ARG 275  -7.475 -19.441   8.490
  179   1HH2  ARG 275          1HH2      ARG 275  -7.874 -18.302   5.208
  180   2HH2  ARG 275          2HH2      ARG 275  -8.678 -18.687   6.693
  181    H    ASN 276           H        ASN 276  -3.554 -16.946   1.995
  182    HA   ASN 276           HA       ASN 276  -3.611 -19.575   0.921
  183   1HB   ASN 276          1HB       ASN 276  -4.503 -16.943  -0.279
  184   2HB   ASN 276          2HB       ASN 276  -4.881 -18.530  -0.938
  185   1HD2  ASN 276          1HD2      ASN 276  -4.853 -18.933   2.310
  186   2HD2  ASN 276          2HD2      ASN 276  -6.524 -18.666   2.653
  187    H    SER 277           H        SER 277  -3.476 -18.245  -1.901
  188    HA   SER 277           HA       SER 277  -0.762 -17.594  -2.357
  189   1HB   SER 277          1HB       SER 277  -0.402 -19.970  -1.854
  190   2HB   SER 277          2HB       SER 277  -1.582 -20.418  -3.086
  191    HG   SER 277           HG       SER 277   0.710 -20.464  -3.717
  192    H    ALA 278           H        ALA 278  -2.998 -16.331  -3.131
  193    HA   ALA 278           HA       ALA 278  -2.701 -16.168  -5.945
  194   1HB   ALA 278          1HB       ALA 278  -4.063 -17.932  -6.398
  195   2HB   ALA 278          2HB       ALA 278  -5.298 -16.685  -6.222
  196   3HB   ALA 278          3HB       ALA 278  -4.952 -17.779  -4.883
  197   1H    MET   1          1H        MET   1 -16.648   0.804   1.446
  198   2H    MET   1          2H        MET   1 -15.193   0.528   0.628
  199   3H    MET   1          3H        MET   1 -15.339   1.852   1.670
  200    HA   MET   1           HA       MET   1 -15.946  -0.097   3.355
  201   1HB   MET   1          1HB       MET   1 -14.385  -1.962   2.930
  202   2HB   MET   1          2HB       MET   1 -15.608  -1.822   1.675
  203   1HG   MET   1          1HG       MET   1 -13.993  -0.707   0.223
  204   2HG   MET   1          2HG       MET   1 -12.767  -0.845   1.483
  205   1HE   MET   1          1HE       MET   1 -12.103  -3.092  -1.669
  206   2HE   MET   1          2HE       MET   1 -10.969  -2.729  -0.367
  207   3HE   MET   1          3HE       MET   1 -12.017  -1.461  -1.004
  208    H    GLN   2           H        GLN   2 -14.726   0.190   5.144
  209    HA   GLN   2           HA       GLN   2 -12.640   2.158   5.054
  210   1HB   GLN   2          1HB       GLN   2 -13.714   0.508   7.348
  211   2HB   GLN   2          2HB       GLN   2 -12.522   1.787   7.521
  212   1HG   GLN   2          1HG       GLN   2 -14.515   2.814   8.094
  213   2HG   GLN   2          2HG       GLN   2 -14.266   3.302   6.421
  214   1HE2  GLN   2          1HE2      GLN   2 -15.156   0.057   6.682
  215   2HE2  GLN   2          2HE2      GLN   2 -16.836   0.233   6.323
  216    H    ILE   3           H        ILE   3 -10.465   1.887   5.325
  217    HA   ILE   3           HA       ILE   3  -9.423  -0.791   5.855
  218    HB   ILE   3           HB       ILE   3  -7.835  -0.654   3.971
  219   1HG1  ILE   3          1HG1      ILE   3  -9.541   1.676   3.062
  220   2HG1  ILE   3          2HG1      ILE   3  -7.897   1.804   3.680
  221   1HG2  ILE   3          1HG2      ILE   3 -10.757  -0.589   3.239
  222   2HG2  ILE   3          2HG2      ILE   3  -9.808  -1.999   3.710
  223   3HG2  ILE   3          3HG2      ILE   3  -9.471  -1.179   2.185
  224   1HD1  ILE   3          1HD1      ILE   3  -7.431   1.818   1.472
  225   2HD1  ILE   3          2HD1      ILE   3  -8.872   0.895   1.046
  226   3HD1  ILE   3          3HD1      ILE   3  -7.460   0.071   1.707
  227    H    PHE   4           H        PHE   4  -7.286  -0.835   6.642
  228    HA   PHE   4           HA       PHE   4  -6.357   1.787   7.594
  229   1HB   PHE   4          1HB       PHE   4  -6.128  -0.978   8.718
  230   2HB   PHE   4          2HB       PHE   4  -4.949   0.249   9.168
  231    HD1  PHE   4           HD1      PHE   4  -5.447   1.891  10.741
  232    HD2  PHE   4           HD2      PHE   4  -8.562  -0.560   9.195
  233    HE1  PHE   4           HE1      PHE   4  -6.973   2.764  12.456
  234    HE2  PHE   4           HE2      PHE   4 -10.099   0.306  10.913
  235    HZ   PHE   4           HZ       PHE   4  -9.304   1.970  12.548
  236    H    VAL   5           H        VAL   5  -4.453   2.587   7.032
  237    HA   VAL   5           HA       VAL   5  -2.742   0.957   5.291
  238    HB   VAL   5           HB       VAL   5  -2.761   3.957   5.679
  239   1HG1  VAL   5          1HG1      VAL   5  -0.583   3.384   5.022
  240   2HG1  VAL   5          2HG1      VAL   5  -1.396   3.838   3.524
  241   3HG1  VAL   5          3HG1      VAL   5  -1.153   2.135   3.914
  242   1HG2  VAL   5          1HG2      VAL   5  -4.639   2.484   4.363
  243   2HG2  VAL   5          2HG2      VAL   5  -3.496   2.846   3.070
  244   3HG2  VAL   5          3HG2      VAL   5  -4.228   4.158   3.993
  245    H    LYS   6           H        LYS   6  -1.016   0.080   6.206
  246    HA   LYS   6           HA       LYS   6   0.044   1.200   8.684
  247   1HB   LYS   6          1HB       LYS   6  -0.416  -1.208   8.618
  248   2HB   LYS   6          2HB       LYS   6   0.685  -1.390   7.260
  249   1HG   LYS   6          1HG       LYS   6   2.554  -0.713   8.665
  250   2HG   LYS   6          2HG       LYS   6   1.456  -0.488  10.029
  251   1HD   LYS   6          1HD       LYS   6   0.865  -2.870   9.927
  252   2HD   LYS   6          2HD       LYS   6   1.991  -3.084   8.585
  253   1HE   LYS   6          1HE       LYS   6   2.713  -2.185  11.373
  254   2HE   LYS   6          2HE       LYS   6   2.971  -3.799  10.711
  255   1HZ   LYS   6          1HZ       LYS   6   4.917  -2.173  10.697
  256   2HZ   LYS   6          2HZ       LYS   6   4.126  -1.412   9.411
  257   3HZ   LYS   6          3HZ       LYS   6   4.606  -3.028   9.271
  258    H    THR   7           H        THR   7   1.771   2.462   8.700
  259    HA   THR   7           HA       THR   7   3.278   2.915   6.298
  260    HB   THR   7           HB       THR   7   4.582   4.522   7.698
  261    HG1  THR   7           HG1      THR   7   4.406   4.340   9.790
  262   1HG2  THR   7          1HG2      THR   7   2.220   4.864   6.527
  263   2HG2  THR   7          2HG2      THR   7   2.993   6.143   7.466
  264   3HG2  THR   7          3HG2      THR   7   1.724   5.160   8.196
  265    H    LEU   8           H        LEU   8   5.427   2.457   5.921
  266    HA   LEU   8           HA       LEU   8   6.471   0.055   6.745
  267   1HB   LEU   8          1HB       LEU   8   7.223   1.570   4.841
  268   2HB   LEU   8          2HB       LEU   8   8.187   2.422   6.031
  269    HG   LEU   8           HG       LEU   8   9.407   0.704   4.648
  270   1HD1  LEU   8          1HD1      LEU   8   9.509   0.071   7.581
  271   2HD1  LEU   8          2HD1      LEU   8  10.121   1.587   6.919
  272   3HD1  LEU   8          3HD1      LEU   8  10.822   0.054   6.404
  273   1HD2  LEU   8          1HD2      LEU   8   7.906  -1.247   6.386
  274   2HD2  LEU   8          2HD2      LEU   8   9.153  -1.626   5.197
  275   3HD2  LEU   8          3HD2      LEU   8   7.599  -0.980   4.669
  276    H    THR   9           H        THR   9   6.849   3.229   8.211
  277    HA   THR   9           HA       THR   9   8.850   2.590  10.075
  278    HB   THR   9           HB       THR   9   8.094   4.547  11.341
  279    HG1  THR   9           HG1      THR   9   6.012   4.969   9.487
  280   1HG2  THR   9          1HG2      THR   9   9.479   5.054   9.472
  281   2HG2  THR   9          2HG2      THR   9   8.162   6.227   9.461
  282   3HG2  THR   9          3HG2      THR   9   8.137   4.863   8.344
  283    H    GLY  10           H        GLY  10   5.296   2.534  10.362
  284   1HA   GLY  10          1HA       GLY  10   4.602   0.405  11.611
  285   2HA   GLY  10          2HA       GLY  10   5.607   1.057  12.895
  286    H    LYS  11           H        LYS  11   2.945   2.172  10.767
  287    HA   LYS  11           HA       LYS  11   1.387   2.895  13.097
  288   1HB   LYS  11          1HB       LYS  11   2.895   4.842  12.741
  289   2HB   LYS  11          2HB       LYS  11   2.224   5.030  11.130
  290   1HG   LYS  11          1HG       LYS  11   0.015   5.443  12.095
  291   2HG   LYS  11          2HG       LYS  11   0.696   5.268  13.713
  292   1HD   LYS  11          1HD       LYS  11   0.489   7.617  13.144
  293   2HD   LYS  11          2HD       LYS  11   2.192   7.171  13.271
  294   1HE   LYS  11          1HE       LYS  11   2.320   6.987  10.832
  295   2HE   LYS  11          2HE       LYS  11   0.618   7.433  10.709
  296   1HZ   LYS  11          1HZ       LYS  11   2.113   9.311  10.306
  297   2HZ   LYS  11          2HZ       LYS  11   2.746   9.152  11.866
  298   3HZ   LYS  11          3HZ       LYS  11   1.123   9.577  11.652
  299    H    THR  12           H        THR  12  -0.590   2.206  12.647
  300    HA   THR  12           HA       THR  12  -1.499   2.043   9.879
  301    HB   THR  12           HB       THR  12  -3.422   0.787  10.826
  302    HG1  THR  12           HG1      THR  12  -2.094   0.592  13.286
  303   1HG2  THR  12          1HG2      THR  12  -0.981  -0.147  10.290
  304   2HG2  THR  12          2HG2      THR  12  -2.278  -1.180  10.889
  305   3HG2  THR  12          3HG2      THR  12  -1.059  -0.561  12.003
  306    H    ILE  13           H        ILE  13  -3.190   3.224   9.057
  307    HA   ILE  13           HA       ILE  13  -4.561   5.058  10.906
  308    HB   ILE  13           HB       ILE  13  -3.495   5.834   8.191
  309   1HG1  ILE  13          1HG1      ILE  13  -1.731   5.677   9.904
  310   2HG1  ILE  13          2HG1      ILE  13  -2.012   7.346   9.423
  311   1HG2  ILE  13          1HG2      ILE  13  -5.047   7.419   8.216
  312   2HG2  ILE  13          2HG2      ILE  13  -4.299   8.082   9.669
  313   3HG2  ILE  13          3HG2      ILE  13  -5.604   6.901   9.809
  314   1HD1  ILE  13          1HD1      ILE  13  -1.673   7.028  11.855
  315   2HD1  ILE  13          2HD1      ILE  13  -3.163   6.084  11.899
  316   3HD1  ILE  13          3HD1      ILE  13  -3.211   7.787  11.444
  317    H    THR  14           H        THR  14  -6.684   5.433  10.530
  318    HA   THR  14           HA       THR  14  -8.131   3.589   8.922
  319    HB   THR  14           HB       THR  14  -9.180   6.129  10.186
  320    HG1  THR  14           HG1      THR  14  -9.769   4.586  11.905
  321   1HG2  THR  14          1HG2      THR  14 -10.451   3.644   9.088
  322   2HG2  THR  14          2HG2      THR  14 -10.857   5.332   8.775
  323   3HG2  THR  14          3HG2      THR  14 -11.262   4.601  10.328
  324    H    LEU  15           H        LEU  15  -9.137   3.851   6.961
  325    HA   LEU  15           HA       LEU  15  -9.370   6.445   5.730
  326   1HB   LEU  15          1HB       LEU  15  -6.949   5.456   5.369
  327   2HB   LEU  15          2HB       LEU  15  -7.753   4.491   4.148
  328    HG   LEU  15           HG       LEU  15  -6.751   6.435   3.121
  329   1HD1  LEU  15          1HD1      LEU  15  -8.448   6.661   1.708
  330   2HD1  LEU  15          2HD1      LEU  15  -9.446   7.457   2.925
  331   3HD1  LEU  15          3HD1      LEU  15  -9.406   5.696   2.831
  332   1HD2  LEU  15          1HD2      LEU  15  -8.463   8.462   4.293
  333   2HD2  LEU  15          2HD2      LEU  15  -6.720   8.467   4.024
  334   3HD2  LEU  15          3HD2      LEU  15  -7.385   7.722   5.477
  335    H    GLU  16           H        GLU  16 -11.404   6.290   5.066
  336    HA   GLU  16           HA       GLU  16 -12.501   3.769   4.151
  337   1HB   GLU  16          1HB       GLU  16 -13.837   5.199   5.613
  338   2HB   GLU  16          2HB       GLU  16 -13.775   6.493   4.439
  339   1HG   GLU  16          1HG       GLU  16 -15.013   5.118   2.875
  340   2HG   GLU  16          2HG       GLU  16 -15.082   3.830   4.063
  341    H    VAL  17           H        VAL  17 -12.887   3.192   2.108
  342    HA   VAL  17           HA       VAL  17 -13.033   5.147  -0.025
  343    HB   VAL  17           HB       VAL  17 -11.329   3.947  -1.417
  344   1HG1  VAL  17          1HG1      VAL  17  -9.871   5.008   0.947
  345   2HG1  VAL  17          2HG1      VAL  17 -10.984   6.077   0.093
  346   3HG1  VAL  17          3HG1      VAL  17  -9.636   5.337  -0.770
  347   1HG2  VAL  17          1HG2      VAL  17 -11.218   1.868  -0.168
  348   2HG2  VAL  17          2HG2      VAL  17 -10.560   2.720   1.228
  349   3HG2  VAL  17          3HG2      VAL  17  -9.622   2.613  -0.262
  350    H    GLU  18           H        GLU  18 -14.395   4.496  -1.575
  351    HA   GLU  18           HA       GLU  18 -15.915   2.145  -1.264
  352   1HB   GLU  18          1HB       GLU  18 -15.652   3.938  -3.686
  353   2HB   GLU  18          2HB       GLU  18 -16.917   2.744  -3.435
  354   1HG   GLU  18          1HG       GLU  18 -16.428   5.153  -1.697
  355   2HG   GLU  18          2HG       GLU  18 -17.660   5.029  -2.951
  356    H    SER  19           H        SER  19 -15.949   0.220  -2.429
  357    HA   SER  19           HA       SER  19 -13.507  -0.903  -3.134
  358   1HB   SER  19          1HB       SER  19 -14.823  -2.742  -4.128
  359   2HB   SER  19          2HB       SER  19 -15.462  -2.260  -2.557
  360    HG   SER  19           HG       SER  19 -16.494  -1.690  -5.126
  361    H    SER  20           H        SER  20 -16.000   0.544  -5.190
  362    HA   SER  20           HA       SER  20 -14.478   0.074  -7.599
  363   1HB   SER  20          1HB       SER  20 -16.316   1.284  -8.719
  364   2HB   SER  20          2HB       SER  20 -16.924  -0.002  -7.676
  365    HG   SER  20           HG       SER  20 -18.090   1.942  -7.395
  366    H    ASP  21           H        ASP  21 -12.981   1.546  -5.750
  367    HA   ASP  21           HA       ASP  21 -12.969   4.252  -6.911
  368   1HB   ASP  21          1HB       ASP  21 -13.271   4.166  -4.459
  369   2HB   ASP  21          2HB       ASP  21 -11.744   3.304  -4.311
  370    H    THR  22           H        THR  22 -11.284   4.912  -8.078
  371    HA   THR  22           HA       THR  22  -9.297   3.091  -8.937
  372    HB   THR  22           HB       THR  22  -8.301   5.016 -10.115
  373    HG1  THR  22           HG1      THR  22  -9.727   7.015  -9.865
  374   1HG2  THR  22          1HG2      THR  22 -11.011   4.072 -10.382
  375   2HG2  THR  22          2HG2      THR  22  -9.845   4.493 -11.637
  376   3HG2  THR  22          3HG2      THR  22 -10.878   5.740 -10.938
  377    H    ILE  23           H        ILE  23  -7.117   2.968  -8.486
  378    HA   ILE  23           HA       ILE  23  -6.258   3.371  -5.885
  379    HB   ILE  23           HB       ILE  23  -4.611   3.120  -8.401
  380   1HG1  ILE  23          1HG1      ILE  23  -6.054   1.196  -7.939
  381   2HG1  ILE  23          2HG1      ILE  23  -4.362   0.777  -7.699
  382   1HG2  ILE  23          1HG2      ILE  23  -2.889   2.259  -6.640
  383   2HG2  ILE  23          2HG2      ILE  23  -3.810   3.275  -5.532
  384   3HG2  ILE  23          3HG2      ILE  23  -3.048   3.987  -6.954
  385   1HD1  ILE  23          1HD1      ILE  23  -6.540   1.093  -5.693
  386   2HD1  ILE  23          2HD1      ILE  23  -4.862   1.349  -5.211
  387   3HD1  ILE  23          3HD1      ILE  23  -5.361  -0.204  -5.883
  388    H    ASP  24           H        ASP  24  -5.804   5.449  -8.720
  389    HA   ASP  24           HA       ASP  24  -4.044   7.306  -7.620
  390   1HB   ASP  24          1HB       ASP  24  -4.632   7.215 -10.014
  391   2HB   ASP  24          2HB       ASP  24  -6.246   7.808  -9.636
  392    H    ASN  25           H        ASN  25  -7.607   7.399  -7.702
  393    HA   ASN  25           HA       ASN  25  -7.921   9.812  -6.323
  394   1HB   ASN  25          1HB       ASN  25  -9.747   8.664  -7.540
  395   2HB   ASN  25          2HB       ASN  25  -9.777   7.420  -6.293
  396   1HD2  ASN  25          1HD2      ASN  25 -11.334   7.673  -4.877
  397   2HD2  ASN  25          2HD2      ASN  25 -12.005   9.174  -4.349
  398    H    VAL  26           H        VAL  26  -7.691   6.484  -5.145
  399    HA   VAL  26           HA       VAL  26  -8.181   6.972  -2.435
  400    HB   VAL  26           HB       VAL  26  -6.338   4.886  -3.619
  401   1HG1  VAL  26          1HG1      VAL  26  -5.844   4.834  -1.367
  402   2HG1  VAL  26          2HG1      VAL  26  -7.169   3.674  -1.466
  403   3HG1  VAL  26          3HG1      VAL  26  -7.473   5.313  -0.890
  404   1HG2  VAL  26          1HG2      VAL  26  -8.550   3.517  -3.046
  405   2HG2  VAL  26          2HG2      VAL  26  -8.298   4.293  -4.609
  406   3HG2  VAL  26          3HG2      VAL  26  -9.287   5.084  -3.382
  407    H    LYS  27           H        LYS  27  -5.173   7.072  -4.302
  408    HA   LYS  27           HA       LYS  27  -3.414   7.525  -2.169
  409   1HB   LYS  27          1HB       LYS  27  -3.216   8.416  -5.051
  410   2HB   LYS  27          2HB       LYS  27  -1.894   8.476  -3.895
  411   1HG   LYS  27          1HG       LYS  27  -3.327   5.957  -4.704
  412   2HG   LYS  27          2HG       LYS  27  -1.814   6.522  -5.413
  413   1HD   LYS  27          1HD       LYS  27  -0.699   6.352  -3.280
  414   2HD   LYS  27          2HD       LYS  27  -2.217   5.936  -2.480
  415   1HE   LYS  27          1HE       LYS  27  -0.920   4.297  -4.655
  416   2HE   LYS  27          2HE       LYS  27  -0.746   3.978  -2.931
  417   1HZ   LYS  27          1HZ       LYS  27  -2.515   2.689  -4.199
  418   2HZ   LYS  27          2HZ       LYS  27  -3.407   4.127  -4.208
  419   3HZ   LYS  27          3HZ       LYS  27  -2.981   3.406  -2.738
  420    H    SER  28           H        SER  28  -5.299   9.755  -4.167
  421    HA   SER  28           HA       SER  28  -4.239  12.157  -3.187
  422   1HB   SER  28          1HB       SER  28  -7.059  11.585  -4.137
  423   2HB   SER  28          2HB       SER  28  -6.349  13.189  -3.954
  424    HG   SER  28           HG       SER  28  -6.311  12.093  -6.124
  425    H    LYS  29           H        LYS  29  -7.023  10.247  -2.080
  426    HA   LYS  29           HA       LYS  29  -7.784  11.921   0.040
  427   1HB   LYS  29          1HB       LYS  29  -8.085   8.926  -0.245
  428   2HB   LYS  29          2HB       LYS  29  -8.913   9.908   0.957
  429   1HG   LYS  29          1HG       LYS  29 -10.022  11.150  -0.847
  430   2HG   LYS  29          2HG       LYS  29  -9.221  10.115  -2.031
  431   1HD   LYS  29          1HD       LYS  29 -10.335   8.162  -1.098
  432   2HD   LYS  29          2HD       LYS  29 -11.104   9.170   0.130
  433   1HE   LYS  29          1HE       LYS  29 -11.508   9.367  -2.852
  434   2HE   LYS  29          2HE       LYS  29 -12.648   8.688  -1.691
  435   1HZ   LYS  29          1HZ       LYS  29 -12.005  11.237  -0.799
  436   2HZ   LYS  29          2HZ       LYS  29 -13.479  10.710  -1.441
  437   3HZ   LYS  29          3HZ       LYS  29 -12.304  11.378  -2.458
  438    H    ILE  30           H        ILE  30  -5.535   9.196  -0.093
  439    HA   ILE  30           HA       ILE  30  -4.932   9.094   2.653
  440    HB   ILE  30           HB       ILE  30  -3.242   8.282   0.281
  441   1HG1  ILE  30          1HG1      ILE  30  -4.999   6.670   2.147
  442   2HG1  ILE  30          2HG1      ILE  30  -5.388   7.088   0.482
  443   1HG2  ILE  30          1HG2      ILE  30  -1.721   7.271   1.690
  444   2HG2  ILE  30          2HG2      ILE  30  -2.853   7.206   3.040
  445   3HG2  ILE  30          3HG2      ILE  30  -2.109   8.740   2.586
  446   1HD1  ILE  30          1HD1      ILE  30  -3.300   5.198   1.499
  447   2HD1  ILE  30          2HD1      ILE  30  -3.260   5.837  -0.144
  448   3HD1  ILE  30          3HD1      ILE  30  -4.640   4.882   0.397
  449    H    GLN  31           H        GLN  31  -3.605  10.990  -0.001
  450    HA   GLN  31           HA       GLN  31  -1.362  12.028   1.342
  451   1HB   GLN  31          1HB       GLN  31  -1.555  12.222  -1.062
  452   2HB   GLN  31          2HB       GLN  31  -3.016  13.187  -0.908
  453   1HG   GLN  31          1HG       GLN  31  -1.721  14.967   0.162
  454   2HG   GLN  31          2HG       GLN  31  -0.258  14.000  -0.013
  455   1HE2  GLN  31          1HE2      GLN  31   0.961  14.672  -1.608
  456   2HE2  GLN  31          2HE2      GLN  31   0.417  15.312  -3.118
  457    H    ASP  32           H        ASP  32  -4.654  13.334   0.948
  458    HA   ASP  32           HA       ASP  32  -4.219  15.674   2.437
  459   1HB   ASP  32          1HB       ASP  32  -6.722  14.133   1.754
  460   2HB   ASP  32          2HB       ASP  32  -6.727  15.697   2.544
  461    H    LYS  33           H        LYS  33  -5.421  12.471   3.323
  462    HA   LYS  33           HA       LYS  33  -6.107  13.141   5.995
  463   1HB   LYS  33          1HB       LYS  33  -7.107  11.233   4.869
  464   2HB   LYS  33          2HB       LYS  33  -5.533  10.466   4.710
  465   1HG   LYS  33          1HG       LYS  33  -6.754   9.429   6.498
  466   2HG   LYS  33          2HG       LYS  33  -5.389  10.323   7.169
  467   1HD   LYS  33          1HD       LYS  33  -7.367  10.684   8.522
  468   2HD   LYS  33          2HD       LYS  33  -6.905  12.184   7.716
  469   1HE   LYS  33          1HE       LYS  33  -9.313  11.869   7.618
  470   2HE   LYS  33          2HE       LYS  33  -8.611  11.779   6.004
  471   1HZ   LYS  33          1HZ       LYS  33  -9.768   9.895   5.840
  472   2HZ   LYS  33          2HZ       LYS  33 -10.012   9.767   7.509
  473   3HZ   LYS  33          3HZ       LYS  33  -8.573   9.204   6.820
  474    H    GLU  34           H        GLU  34  -3.531  10.924   4.917
  475    HA   GLU  34           HA       GLU  34  -2.164  11.071   7.402
  476   1HB   GLU  34          1HB       GLU  34  -1.256   9.990   4.734
  477   2HB   GLU  34          2HB       GLU  34  -0.412   9.749   6.258
  478   1HG   GLU  34          1HG       GLU  34  -2.364   8.565   7.143
  479   2HG   GLU  34          2HG       GLU  34  -3.190   8.791   5.602
  480    H    GLY  35           H        GLY  35  -1.599  12.580   4.243
  481   1HA   GLY  35          1HA       GLY  35  -0.534  14.654   3.919
  482   2HA   GLY  35          2HA       GLY  35   0.094  14.563   5.559
  483    H    ILE  36           H        ILE  36   0.303  12.390   2.752
  484    HA   ILE  36           HA       ILE  36   3.221  12.702   2.761
  485    HB   ILE  36           HB       ILE  36   1.790  10.036   2.744
  486   1HG1  ILE  36          1HG1      ILE  36   3.649  11.249   4.803
  487   2HG1  ILE  36          2HG1      ILE  36   1.903  11.108   4.973
  488   1HG2  ILE  36          1HG2      ILE  36   4.105   9.104   2.819
  489   2HG2  ILE  36          2HG2      ILE  36   4.711  10.728   2.492
  490   3HG2  ILE  36          3HG2      ILE  36   3.695   9.911   1.304
  491   1HD1  ILE  36          1HD1      ILE  36   1.987   8.870   5.377
  492   2HD1  ILE  36          2HD1      ILE  36   3.545   9.358   6.043
  493   3HD1  ILE  36          3HD1      ILE  36   3.460   8.641   4.434
  494    HA   PRO  37           HA       PRO  37   2.677  13.201  -1.618
  495   1HB   PRO  37          1HB       PRO  37   5.271  11.777  -1.834
  496   2HB   PRO  37          2HB       PRO  37   4.795  13.352  -2.475
  497   1HG   PRO  37          1HG       PRO  37   6.411  13.117  -0.348
  498   2HG   PRO  37          2HG       PRO  37   5.241  14.441  -0.495
  499   1HD   PRO  37          1HD       PRO  37   5.156  12.014   1.218
  500   2HD   PRO  37          2HD       PRO  37   4.489  13.632   1.512
  501    HA   PRO  38           HA       PRO  38   0.947   9.239  -2.759
  502   1HB   PRO  38          1HB       PRO  38   1.048  10.365  -5.499
  503   2HB   PRO  38          2HB       PRO  38  -0.328   9.729  -4.594
  504   1HG   PRO  38          1HG       PRO  38  -0.039  12.353  -5.002
  505   2HG   PRO  38          2HG       PRO  38  -0.686  11.723  -3.475
  506   1HD   PRO  38          1HD       PRO  38   2.043  12.777  -4.089
  507   2HD   PRO  38          2HD       PRO  38   1.056  12.983  -2.627
  508    H    ASP  39           H        ASP  39   3.440  10.718  -4.821
  509    HA   ASP  39           HA       ASP  39   4.291   8.285  -6.002
  510   1HB   ASP  39          1HB       ASP  39   5.754  10.918  -5.731
  511   2HB   ASP  39          2HB       ASP  39   6.221   9.596  -6.797
  512    H    GLN  40           H        GLN  40   5.554  10.221  -3.303
  513    HA   GLN  40           HA       GLN  40   7.844   8.710  -2.798
  514   1HB   GLN  40          1HB       GLN  40   6.129  10.381  -0.961
  515   2HB   GLN  40          2HB       GLN  40   7.639   9.639  -0.447
  516   1HG   GLN  40          1HG       GLN  40   7.380  11.572  -2.738
  517   2HG   GLN  40          2HG       GLN  40   7.847  12.016  -1.099
  518   1HE2  GLN  40          1HE2      GLN  40   9.140   9.075  -1.414
  519   2HE2  GLN  40          2HE2      GLN  40  10.693   9.478  -2.051
  520    H    GLN  41           H        GLN  41   4.698   8.499  -1.104
  521    HA   GLN  41           HA       GLN  41   5.466   6.087   0.240
  522   1HB   GLN  41          1HB       GLN  41   3.240   6.085   1.166
  523   2HB   GLN  41          2HB       GLN  41   3.870   7.725   1.209
  524   1HG   GLN  41          1HG       GLN  41   2.560   8.295  -0.758
  525   2HG   GLN  41          2HG       GLN  41   1.954   6.642  -0.843
  526   1HE2  GLN  41          1HE2      GLN  41   1.141   9.648   0.042
  527   2HE2  GLN  41          2HE2      GLN  41  -0.018   9.307   1.278
  528    H    ARG  42           H        ARG  42   4.997   3.995  -0.257
  529    HA   ARG  42           HA       ARG  42   3.520   3.533  -2.765
  530   1HB   ARG  42          1HB       ARG  42   5.901   2.017  -1.687
  531   2HB   ARG  42          2HB       ARG  42   4.976   1.549  -3.106
  532   1HG   ARG  42          1HG       ARG  42   6.518   4.116  -2.795
  533   2HG   ARG  42          2HG       ARG  42   7.050   2.695  -3.696
  534   1HD   ARG  42          1HD       ARG  42   5.129   2.919  -5.189
  535   2HD   ARG  42          2HD       ARG  42   4.582   4.328  -4.282
  536    HE   ARG  42           HE       ARG  42   6.006   5.566  -5.543
  537   1HH1  ARG  42          1HH1      ARG  42   7.250   2.309  -5.414
  538   2HH1  ARG  42          2HH1      ARG  42   8.618   2.658  -6.416
  539   1HH2  ARG  42          1HH2      ARG  42   7.802   6.027  -6.865
  540   2HH2  ARG  42          2HH2      ARG  42   8.929   4.768  -7.245
  541    H    LEU  43           H        LEU  43   1.713   2.428  -2.517
  542    HA   LEU  43           HA       LEU  43   1.206   0.984  -0.052
  543   1HB   LEU  43          1HB       LEU  43  -0.492   1.793  -2.391
  544   2HB   LEU  43          2HB       LEU  43  -1.074   0.628  -1.219
  545    HG   LEU  43           HG       LEU  43  -1.905   2.887  -0.752
  546   1HD1  LEU  43          1HD1      LEU  43  -0.065   2.547   1.504
  547   2HD1  LEU  43          2HD1      LEU  43  -0.942   1.090   1.035
  548   3HD1  LEU  43          3HD1      LEU  43  -1.828   2.554   1.462
  549   1HD2  LEU  43          1HD2      LEU  43   0.375   4.131   0.348
  550   2HD2  LEU  43          2HD2      LEU  43  -0.598   4.660  -1.024
  551   3HD2  LEU  43          3HD2      LEU  43   0.804   3.621  -1.285
  552    H    ILE  44           H        ILE  44   1.009  -1.178   0.167
  553    HA   ILE  44           HA       ILE  44   1.175  -2.854  -2.232
  554    HB   ILE  44           HB       ILE  44   2.961  -3.166   0.184
  555   1HG1  ILE  44          1HG1      ILE  44   3.621  -2.538  -2.705
  556   2HG1  ILE  44          2HG1      ILE  44   3.668  -1.386  -1.375
  557   1HG2  ILE  44          1HG2      ILE  44   2.220  -4.995  -2.016
  558   2HG2  ILE  44          2HG2      ILE  44   2.723  -5.350  -0.363
  559   3HG2  ILE  44          3HG2      ILE  44   3.928  -4.934  -1.581
  560   1HD1  ILE  44          1HD1      ILE  44   5.276  -3.490  -0.541
  561   2HD1  ILE  44          2HD1      ILE  44   5.801  -1.913  -1.131
  562   3HD1  ILE  44          3HD1      ILE  44   5.659  -3.269  -2.249
  563    H    PHE  45           H        PHE  45   0.061  -4.726  -2.137
  564    HA   PHE  45           HA       PHE  45  -0.889  -5.792   0.381
  565   1HB   PHE  45          1HB       PHE  45  -2.590  -4.106  -0.080
  566   2HB   PHE  45          2HB       PHE  45  -2.813  -4.742  -1.705
  567    HD1  PHE  45           HD1      PHE  45  -4.881  -5.706  -1.889
  568    HD2  PHE  45           HD2      PHE  45  -2.620  -6.359   1.657
  569    HE1  PHE  45           HE1      PHE  45  -6.628  -7.227  -1.059
  570    HE2  PHE  45           HE2      PHE  45  -4.363  -7.881   2.492
  571    HZ   PHE  45           HZ       PHE  45  -6.370  -8.317   1.134
  572    H    ALA  46           H        ALA  46  -1.401  -7.944   0.265
  573    HA   ALA  46           HA       ALA  46  -1.239 -10.073  -0.531
  574   1HB   ALA  46          1HB       ALA  46  -3.100 -10.371  -1.705
  575   2HB   ALA  46          2HB       ALA  46  -2.274  -9.793  -3.153
  576   3HB   ALA  46          3HB       ALA  46  -3.134  -8.656  -2.114
  577    H    GLY  47           H        GLY  47   1.067  -8.477  -0.885
  578   1HA   GLY  47          1HA       GLY  47   3.102  -8.543  -1.936
  579   2HA   GLY  47          2HA       GLY  47   2.589 -10.088  -2.596
  580    H    LYS  48           H        LYS  48   1.119  -6.911  -3.137
  581    HA   LYS  48           HA       LYS  48   2.194  -6.834  -5.847
  582   1HB   LYS  48          1HB       LYS  48  -0.777  -6.820  -5.280
  583   2HB   LYS  48          2HB       LYS  48  -0.036  -6.529  -6.847
  584   1HG   LYS  48          1HG       LYS  48   0.858  -8.801  -6.850
  585   2HG   LYS  48          2HG       LYS  48   0.119  -9.093  -5.274
  586   1HD   LYS  48          1HD       LYS  48  -1.269 -10.025  -7.033
  587   2HD   LYS  48          2HD       LYS  48  -2.098  -8.673  -6.259
  588   1HE   LYS  48          1HE       LYS  48  -2.354  -8.596  -8.685
  589   2HE   LYS  48          2HE       LYS  48  -1.441  -7.208  -8.096
  590   1HZ   LYS  48          1HZ       LYS  48  -0.648  -9.250  -9.922
  591   2HZ   LYS  48          2HZ       LYS  48   0.454  -9.102  -8.647
  592   3HZ   LYS  48          3HZ       LYS  48   0.078  -7.756  -9.599
  593    H    GLN  49           H        GLN  49   2.688  -4.823  -6.432
  594    HA   GLN  49           HA       GLN  49   2.180  -2.625  -4.671
  595   1HB   GLN  49          1HB       GLN  49   4.279  -2.747  -5.883
  596   2HB   GLN  49          2HB       GLN  49   3.431  -2.757  -7.422
  597   1HG   GLN  49          1HG       GLN  49   4.405  -0.587  -6.984
  598   2HG   GLN  49          2HG       GLN  49   2.646  -0.487  -7.012
  599   1HE2  GLN  49          1HE2      GLN  49   1.920   0.866  -5.555
  600   2HE2  GLN  49          2HE2      GLN  49   2.553   1.100  -3.965
  601    H    LEU  50           H        LEU  50   0.548  -1.184  -4.734
  602    HA   LEU  50           HA       LEU  50  -1.635  -1.573  -6.496
  603   1HB   LEU  50          1HB       LEU  50  -0.960   0.616  -4.547
  604   2HB   LEU  50          2HB       LEU  50  -2.411   0.664  -5.528
  605    HG   LEU  50           HG       LEU  50  -3.115  -1.502  -4.514
  606   1HD1  LEU  50          1HD1      LEU  50  -1.812  -1.768  -2.188
  607   2HD1  LEU  50          2HD1      LEU  50  -0.486  -1.214  -3.210
  608   3HD1  LEU  50          3HD1      LEU  50  -1.388  -2.665  -3.646
  609   1HD2  LEU  50          1HD2      LEU  50  -4.297  -0.044  -3.321
  610   2HD2  LEU  50          2HD2      LEU  50  -2.949   1.089  -3.229
  611   3HD2  LEU  50          3HD2      LEU  50  -3.076  -0.227  -2.062
  612    H    GLU  51           H        GLU  51  -1.809  -0.993  -8.530
  613    HA   GLU  51           HA       GLU  51  -0.015   0.985  -9.669
  614   1HB   GLU  51          1HB       GLU  51  -2.155  -0.687 -11.000
  615   2HB   GLU  51          2HB       GLU  51  -0.931   0.272 -11.821
  616   1HG   GLU  51          1HG       GLU  51   0.820  -1.147 -10.873
  617   2HG   GLU  51          2HG       GLU  51  -0.409  -2.115 -10.063
  618    H    ASP  52           H        ASP  52  -0.569   2.998 -10.318
  619    HA   ASP  52           HA       ASP  52  -2.898   4.216  -9.329
  620   1HB   ASP  52          1HB       ASP  52  -1.034   5.164 -11.517
  621   2HB   ASP  52          2HB       ASP  52  -2.227   6.166 -10.695
  622    H    GLY  53           H        GLY  53  -4.881   4.540 -10.157
  623   1HA   GLY  53          1HA       GLY  53  -6.604   4.617 -11.696
  624   2HA   GLY  53          2HA       GLY  53  -5.427   4.356 -12.972
  625    H    ARG  54           H        ARG  54  -6.143   2.311 -10.156
  626    HA   ARG  54           HA       ARG  54  -7.198   0.268 -11.985
  627   1HB   ARG  54          1HB       ARG  54  -5.208  -0.205  -9.760
  628   2HB   ARG  54          2HB       ARG  54  -5.984  -1.463 -10.709
  629   1HG   ARG  54          1HG       ARG  54  -4.147   0.661 -11.792
  630   2HG   ARG  54          2HG       ARG  54  -3.709  -1.017 -11.469
  631   1HD   ARG  54          1HD       ARG  54  -5.367  -1.762 -13.108
  632   2HD   ARG  54          2HD       ARG  54  -5.804  -0.084 -13.429
  633    HE   ARG  54           HE       ARG  54  -3.057  -0.355 -13.843
  634   1HH1  ARG  54          1HH1      ARG  54  -6.053  -1.480 -15.225
  635   2HH1  ARG  54          2HH1      ARG  54  -5.406  -1.632 -16.825
  636   1HH2  ARG  54          1HH2      ARG  54  -2.200  -0.549 -15.946
  637   2HH2  ARG  54          2HH2      ARG  54  -3.217  -1.102 -17.234
  638    H    THR  55           H        THR  55  -8.977  -0.769 -11.290
  639    HA   THR  55           HA       THR  55 -10.404   0.224  -9.055
  640    HB   THR  55           HB       THR  55 -12.046  -1.549  -9.543
  641    HG1  THR  55           HG1      THR  55 -11.512  -3.232 -10.731
  642   1HG2  THR  55          1HG2      THR  55 -11.578   0.637 -11.002
  643   2HG2  THR  55          2HG2      THR  55 -12.846  -0.519 -11.413
  644   3HG2  THR  55          3HG2      THR  55 -11.292  -0.581 -12.246
  645    H    LEU  56           H        LEU  56 -10.739  -0.586  -7.039
  646    HA   LEU  56           HA       LEU  56  -8.772  -2.244  -5.888
  647   1HB   LEU  56          1HB       LEU  56 -11.496  -1.578  -4.770
  648   2HB   LEU  56          2HB       LEU  56 -10.108  -2.143  -3.862
  649    HG   LEU  56           HG       LEU  56 -10.326   0.516  -5.276
  650   1HD1  LEU  56          1HD1      LEU  56 -11.710   0.376  -3.270
  651   2HD1  LEU  56          2HD1      LEU  56 -10.337   1.456  -3.027
  652   3HD1  LEU  56          3HD1      LEU  56 -10.314  -0.168  -2.339
  653   1HD2  LEU  56          1HD2      LEU  56  -8.202   1.009  -4.080
  654   2HD2  LEU  56          2HD2      LEU  56  -8.046  -0.225  -5.331
  655   3HD2  LEU  56          3HD2      LEU  56  -8.109  -0.695  -3.632
  656    H    SER  57           H        SER  57 -11.997  -2.881  -7.119
  657    HA   SER  57           HA       SER  57 -12.523  -5.370  -6.052
  658   1HB   SER  57          1HB       SER  57 -14.148  -4.140  -7.408
  659   2HB   SER  57          2HB       SER  57 -13.159  -4.394  -8.846
  660    HG   SER  57           HG       SER  57 -15.041  -5.955  -7.962
  661    H    ASP  58           H        ASP  58 -10.573  -4.574  -8.901
  662    HA   ASP  58           HA       ASP  58 -10.093  -7.146  -9.841
  663   1HB   ASP  58          1HB       ASP  58  -9.445  -5.125 -11.075
  664   2HB   ASP  58          2HB       ASP  58  -8.216  -4.770  -9.865
  665    H    TYR  59           H        TYR  59  -8.431  -5.295  -7.339
  666    HA   TYR  59           HA       TYR  59  -6.460  -7.309  -6.830
  667   1HB   TYR  59          1HB       TYR  59  -7.301  -4.923  -5.167
  668   2HB   TYR  59          2HB       TYR  59  -5.893  -5.929  -4.851
  669    HD1  TYR  59           HD1      TYR  59  -7.326  -4.140  -7.820
  670    HD2  TYR  59           HD2      TYR  59  -3.897  -4.955  -5.436
  671    HE1  TYR  59           HE1      TYR  59  -5.976  -2.698  -9.281
  672    HE2  TYR  59           HE2      TYR  59  -2.537  -3.514  -6.892
  673    HH   TYR  59           HH       TYR  59  -2.496  -2.260  -8.726
  674    H    ASN  60           H        ASN  60  -9.674  -6.644  -5.749
  675    HA   ASN  60           HA       ASN  60 -11.120  -7.775  -4.409
  676   1HB   ASN  60          1HB       ASN  60  -8.973  -9.911  -4.421
  677   2HB   ASN  60          2HB       ASN  60 -10.607 -10.123  -3.802
  678   1HD2  ASN  60          1HD2      ASN  60 -11.871 -11.166  -5.137
  679   2HD2  ASN  60          2HD2      ASN  60 -11.819 -11.099  -6.863
  680    H    ILE  61           H        ILE  61  -9.560  -5.835  -3.260
  681    HA   ILE  61           HA       ILE  61  -8.203  -6.643  -0.916
  682    HB   ILE  61           HB       ILE  61  -9.534  -3.989  -1.482
  683   1HG1  ILE  61          1HG1      ILE  61  -6.674  -4.862  -1.957
  684   2HG1  ILE  61          2HG1      ILE  61  -7.891  -4.675  -3.214
  685   1HG2  ILE  61          1HG2      ILE  61  -8.962  -3.504   0.613
  686   2HG2  ILE  61          2HG2      ILE  61  -7.280  -3.600   0.093
  687   3HG2  ILE  61          3HG2      ILE  61  -8.069  -5.015   0.790
  688   1HD1  ILE  61          1HD1      ILE  61  -7.785  -2.263  -1.728
  689   2HD1  ILE  61          2HD1      ILE  61  -7.351  -2.545  -3.414
  690   3HD1  ILE  61          3HD1      ILE  61  -6.138  -2.733  -2.147
  691    H    GLN  62           H        GLN  62  -8.940  -7.263   1.008
  692    HA   GLN  62           HA       GLN  62 -11.764  -7.493   1.477
  693   1HB   GLN  62          1HB       GLN  62  -9.434  -8.082   3.316
  694   2HB   GLN  62          2HB       GLN  62 -11.104  -8.556   3.594
  695   1HG   GLN  62          1HG       GLN  62  -9.351  -9.494   1.335
  696   2HG   GLN  62          2HG       GLN  62  -9.784 -10.418   2.773
  697   1HE2  GLN  62          1HE2      GLN  62 -10.451 -10.060  -0.387
  698   2HE2  GLN  62          2HE2      GLN  62 -12.085 -10.620  -0.421
  699    H    LYS  63           H        LYS  63 -12.991  -6.457   3.068
  700    HA   LYS  63           HA       LYS  63 -12.327  -3.755   3.570
  701   1HB   LYS  63          1HB       LYS  63 -14.378  -3.655   4.859
  702   2HB   LYS  63          2HB       LYS  63 -14.653  -4.576   3.388
  703   1HG   LYS  63          1HG       LYS  63 -14.442  -6.658   4.675
  704   2HG   LYS  63          2HG       LYS  63 -14.228  -5.705   6.144
  705   1HD   LYS  63          1HD       LYS  63 -16.445  -4.709   5.810
  706   2HD   LYS  63          2HD       LYS  63 -16.658  -5.683   4.354
  707   1HE   LYS  63          1HE       LYS  63 -16.274  -6.739   7.153
  708   2HE   LYS  63          2HE       LYS  63 -17.801  -6.677   6.275
  709   1HZ   LYS  63          1HZ       LYS  63 -17.300  -8.522   5.160
  710   2HZ   LYS  63          2HZ       LYS  63 -16.069  -8.767   6.292
  711   3HZ   LYS  63          3HZ       LYS  63 -15.723  -8.014   4.818
  712    H    GLU  64           H        GLU  64 -11.543  -2.737   5.341
  713    HA   GLU  64           HA       GLU  64 -10.459  -2.391   7.308
  714   1HB   GLU  64          1HB       GLU  64 -11.695  -5.030   8.116
  715   2HB   GLU  64          2HB       GLU  64 -10.915  -3.893   9.206
  716   1HG   GLU  64          1HG       GLU  64 -12.620  -2.224   8.691
  717   2HG   GLU  64          2HG       GLU  64 -13.399  -3.361   7.592
  718    H    SER  65           H        SER  65  -9.071  -3.541   5.168
  719    HA   SER  65           HA       SER  65  -7.307  -5.523   6.404
  720   1HB   SER  65          1HB       SER  65  -7.586  -4.600   3.540
  721   2HB   SER  65          2HB       SER  65  -6.340  -5.721   4.090
  722    HG   SER  65           HG       SER  65  -8.537  -6.701   5.032
  723    H    THR  66           H        THR  66  -5.059  -5.281   6.422
  724    HA   THR  66           HA       THR  66  -4.192  -2.518   6.748
  725    HB   THR  66           HB       THR  66  -2.766  -5.108   7.394
  726    HG1  THR  66           HG1      THR  66  -3.605  -3.355   9.388
  727   1HG2  THR  66          1HG2      THR  66  -1.170  -3.330   6.986
  728   2HG2  THR  66          2HG2      THR  66  -1.252  -3.670   8.715
  729   3HG2  THR  66          3HG2      THR  66  -2.062  -2.248   8.057
  730    H    LEU  67           H        LEU  67  -2.902  -1.485   5.338
  731    HA   LEU  67           HA       LEU  67  -1.801  -3.038   3.092
  732   1HB   LEU  67          1HB       LEU  67  -2.381  -0.079   3.257
  733   2HB   LEU  67          2HB       LEU  67  -1.806  -0.937   1.840
  734    HG   LEU  67           HG       LEU  67  -4.478  -1.414   3.165
  735   1HD1  LEU  67          1HD1      LEU  67  -3.614   0.641   1.360
  736   2HD1  LEU  67          2HD1      LEU  67  -5.196   0.390   2.097
  737   3HD1  LEU  67          3HD1      LEU  67  -4.798  -0.402   0.572
  738   1HD2  LEU  67          1HD2      LEU  67  -3.462  -2.356   0.490
  739   2HD2  LEU  67          2HD2      LEU  67  -4.989  -2.773   1.266
  740   3HD2  LEU  67          3HD2      LEU  67  -3.468  -3.346   1.950
  741    H    HIS  68           H        HIS  68   0.359  -3.173   2.835
  742    HA   HIS  68           HA       HIS  68   2.063  -1.904   4.788
  743   1HB   HIS  68          1HB       HIS  68   2.648  -3.785   2.500
  744   2HB   HIS  68          2HB       HIS  68   3.891  -3.149   3.574
  745    HD1  HIS  68           HD1      HIS  68   3.090  -3.587   6.283
  746    HD2  HIS  68           HD2      HIS  68   1.852  -6.224   3.323
  747    HE1  HIS  68           HE1      HIS  68   2.474  -5.707   7.486
  748    HE2  HIS  68           HE2      HIS  68   1.824  -7.320   5.664
  749    H    LEU  69           H        LEU  69   3.177  -0.095   4.570
  750    HA   LEU  69           HA       LEU  69   3.187   1.238   1.957
  751   1HB   LEU  69          1HB       LEU  69   2.222   2.357   3.999
  752   2HB   LEU  69          2HB       LEU  69   3.850   2.420   4.643
  753    HG   LEU  69           HG       LEU  69   4.509   3.753   2.612
  754   1HD1  LEU  69          1HD1      LEU  69   2.271   2.925   1.475
  755   2HD1  LEU  69          2HD1      LEU  69   2.994   4.484   1.078
  756   3HD1  LEU  69          3HD1      LEU  69   1.643   4.402   2.208
  757   1HD2  LEU  69          1HD2      LEU  69   2.428   4.833   4.501
  758   2HD2  LEU  69          2HD2      LEU  69   3.417   5.835   3.438
  759   3HD2  LEU  69          3HD2      LEU  69   4.180   4.868   4.702
  760    H    VAL  70           H        VAL  70   5.080   2.187   1.113
  761    HA   VAL  70           HA       VAL  70   7.624   1.522   2.406
  762    HB   VAL  70           HB       VAL  70   7.133   0.958  -0.526
  763   1HG1  VAL  70          1HG1      VAL  70   9.486   0.448   1.287
  764   2HG1  VAL  70          2HG1      VAL  70   9.418   1.538  -0.097
  765   3HG1  VAL  70          3HG1      VAL  70   9.330  -0.209  -0.346
  766   1HG2  VAL  70          1HG2      VAL  70   5.907  -0.702   0.635
  767   2HG2  VAL  70          2HG2      VAL  70   7.188  -0.915   1.829
  768   3HG2  VAL  70          3HG2      VAL  70   7.434  -1.450   0.164
  769    H    LEU  71           H        LEU  71   8.742   3.356   2.549
  770    HA   LEU  71           HA       LEU  71   8.025   5.648   0.971
  771   1HB   LEU  71          1HB       LEU  71  10.171   5.232   3.048
  772   2HB   LEU  71          2HB       LEU  71   9.871   6.764   2.252
  773    HG   LEU  71           HG       LEU  71   8.840   6.800   4.421
  774   1HD1  LEU  71          1HD1      LEU  71   6.446   6.366   2.728
  775   2HD1  LEU  71          2HD1      LEU  71   7.613   7.581   2.207
  776   3HD1  LEU  71          3HD1      LEU  71   6.857   7.709   3.794
  777   1HD2  LEU  71          1HD2      LEU  71   7.261   5.215   5.201
  778   2HD2  LEU  71          2HD2      LEU  71   8.639   4.296   4.594
  779   3HD2  LEU  71          3HD2      LEU  71   7.172   4.426   3.626
  780    H    ARG  72           H        ARG  72   8.949   6.404  -0.797
  781    HA   ARG  72           HA       ARG  72  10.925   4.883  -2.176
  782   1HB   ARG  72          1HB       ARG  72   9.157   6.094  -3.361
  783   2HB   ARG  72          2HB       ARG  72   9.781   7.622  -2.759
  784   1HG   ARG  72          1HG       ARG  72  11.844   7.281  -4.016
  785   2HG   ARG  72          2HG       ARG  72  11.224   5.741  -4.615
  786   1HD   ARG  72          1HD       ARG  72  10.929   7.498  -6.275
  787   2HD   ARG  72          2HD       ARG  72   9.370   6.907  -5.700
  788    HE   ARG  72           HE       ARG  72  10.141   9.138  -4.172
  789   1HH1  ARG  72          1HH1      ARG  72   9.056   8.314  -7.379
  790   2HH1  ARG  72          2HH1      ARG  72   8.330   9.860  -7.669
  791   1HH2  ARG  72          1HH2      ARG  72   9.195  11.174  -4.546
  792   2HH2  ARG  72          2HH2      ARG  72   8.414  11.488  -6.060
  793    H    LEU  73           H        LEU  73  12.953   4.855  -1.425
  794    HA   LEU  73           HA       LEU  73  15.025   5.524  -0.787
  795   1HB   LEU  73          1HB       LEU  73  14.104   8.013  -2.202
  796   2HB   LEU  73          2HB       LEU  73  15.702   7.884  -1.494
  797    HG   LEU  73           HG       LEU  73  16.168   5.941  -2.965
  798   1HD1  LEU  73          1HD1      LEU  73  13.886   5.171  -3.316
  799   2HD1  LEU  73          2HD1      LEU  73  14.685   5.493  -4.854
  800   3HD1  LEU  73          3HD1      LEU  73  13.515   6.644  -4.211
  801   1HD2  LEU  73          1HD2      LEU  73  15.821   8.698  -3.753
  802   2HD2  LEU  73          2HD2      LEU  73  15.659   7.605  -5.127
  803   3HD2  LEU  73          3HD2      LEU  73  17.119   7.569  -4.138
  804    H    ARG  74           H        ARG  74  15.804   5.992   1.159
  805    HA   ARG  74           HA       ARG  74  15.254   8.349   2.605
  806   1HB   ARG  74          1HB       ARG  74  13.045   7.118   2.808
  807   2HB   ARG  74          2HB       ARG  74  13.898   5.898   3.740
  808   1HG   ARG  74          1HG       ARG  74  13.843   8.800   4.519
  809   2HG   ARG  74          2HG       ARG  74  12.631   7.636   5.054
  810   1HD   ARG  74          1HD       ARG  74  14.415   6.278   6.067
  811   2HD   ARG  74          2HD       ARG  74  15.601   7.480   5.562
  812    HE   ARG  74           HE       ARG  74  14.003   7.589   7.874
  813   1HH1  ARG  74          1HH1      ARG  74  15.187   9.643   5.315
  814   2HH1  ARG  74          2HH1      ARG  74  15.121  11.085   6.272
  815   1HH2  ARG  74          1HH2      ARG  74  13.914   9.481   9.134
  816   2HH2  ARG  74          2HH2      ARG  74  14.400  10.993   8.442
  817    H    GLY  75           H        GLY  75  16.867   8.648   4.018
  818   1HA   GLY  75          1HA       GLY  75  18.743   8.244   5.275
  819   2HA   GLY  75          2HA       GLY  75  17.993   6.712   5.696
  820    H    GLY  76           H        GLY  76  19.594   5.266   5.514
  821   1HA   GLY  76          1HA       GLY  76  20.486   4.441   2.964
  822   2HA   GLY  76          2HA       GLY  76  21.752   5.376   3.746
  Start of MODEL   13
    1   1H    TYR 255          1H        TYR 255 -18.751   2.632 -10.714
    2   2H    TYR 255          2H        TYR 255 -19.090   1.796 -12.145
    3   3H    TYR 255          3H        TYR 255 -17.879   1.236 -11.105
    4    HA   TYR 255           HA       TYR 255 -20.798   1.255 -10.651
    5   1HB   TYR 255          1HB       TYR 255 -20.353  -1.211 -10.329
    6   2HB   TYR 255          2HB       TYR 255 -20.095  -0.610 -11.961
    7    HD1  TYR 255           HD1      TYR 255 -18.181  -1.257 -13.064
    8    HD2  TYR 255           HD2      TYR 255 -18.162  -1.222  -8.809
    9    HE1  TYR 255           HE1      TYR 255 -15.923  -2.229 -13.070
   10    HE2  TYR 255           HE2      TYR 255 -15.902  -2.189  -8.806
   11    HH   TYR 255           HH       TYR 255 -14.544  -3.701 -10.591
   12    HA   PRO 256           HA       PRO 256 -20.183   1.865  -6.326
   13   1HB   PRO 256          1HB       PRO 256 -22.333  -0.126  -5.904
   14   2HB   PRO 256          2HB       PRO 256 -22.251   1.566  -5.403
   15   1HG   PRO 256          1HG       PRO 256 -23.848   0.798  -7.400
   16   2HG   PRO 256          2HG       PRO 256 -22.988   2.348  -7.453
   17   1HD   PRO 256          1HD       PRO 256 -22.352  -0.223  -8.849
   18   2HD   PRO 256          2HD       PRO 256 -22.249   1.444  -9.454
   19    H    GLU 257           H        GLU 257 -18.979   0.969  -4.735
   20    HA   GLU 257           HA       GLU 257 -18.887  -1.829  -4.215
   21   1HB   GLU 257          1HB       GLU 257 -16.510  -2.180  -4.817
   22   2HB   GLU 257          2HB       GLU 257 -17.537  -1.895  -6.217
   23   1HG   GLU 257          1HG       GLU 257 -16.772   0.413  -6.324
   24   2HG   GLU 257          2HG       GLU 257 -15.766   0.153  -4.901
   25    H    ASP 258           H        ASP 258 -18.198  -2.204  -2.202
   26    HA   ASP 258           HA       ASP 258 -17.741  -0.074  -0.428
   27   1HB   ASP 258          1HB       ASP 258 -18.725  -2.226   0.254
   28   2HB   ASP 258          2HB       ASP 258 -17.181  -3.023  -0.035
   29    H    GLU 259           H        GLU 259 -15.545  -2.212  -2.142
   30    HA   GLU 259           HA       GLU 259 -13.199  -1.750  -0.725
   31   1HB   GLU 259          1HB       GLU 259 -13.413  -3.466  -2.460
   32   2HB   GLU 259          2HB       GLU 259 -13.542  -2.218  -3.692
   33   1HG   GLU 259          1HG       GLU 259 -11.272  -1.459  -3.115
   34   2HG   GLU 259          2HG       GLU 259 -11.151  -2.781  -1.956
   35    H    GLU 260           H        GLU 260 -14.639   0.102  -3.376
   36    HA   GLU 260           HA       GLU 260 -12.548   1.892  -3.819
   37   1HB   GLU 260          1HB       GLU 260 -14.509   1.666  -5.294
   38   2HB   GLU 260          2HB       GLU 260 -15.515   2.415  -4.062
   39   1HG   GLU 260          1HG       GLU 260 -14.231   4.477  -4.252
   40   2HG   GLU 260          2HG       GLU 260 -13.201   3.727  -5.470
   41    H    GLU 261           H        GLU 261 -15.084   1.907  -1.387
   42    HA   GLU 261           HA       GLU 261 -14.804   4.533  -0.469
   43   1HB   GLU 261          1HB       GLU 261 -16.671   3.107   0.178
   44   2HB   GLU 261          2HB       GLU 261 -15.581   2.039   1.051
   45   1HG   GLU 261          1HG       GLU 261 -15.049   3.847   2.598
   46   2HG   GLU 261          2HG       GLU 261 -16.146   4.916   1.726
   47    H    LEU 262           H        LEU 262 -13.257   1.555   0.743
   48    HA   LEU 262           HA       LEU 262 -11.677   2.864   2.686
   49   1HB   LEU 262          1HB       LEU 262 -11.417   0.184   1.340
   50   2HB   LEU 262          2HB       LEU 262 -10.287   0.731   2.562
   51    HG   LEU 262           HG       LEU 262 -11.897  -0.732   3.583
   52   1HD1  LEU 262          1HD1      LEU 262 -12.483   2.128   4.324
   53   2HD1  LEU 262          2HD1      LEU 262 -11.134   1.161   4.917
   54   3HD1  LEU 262          3HD1      LEU 262 -12.789   0.711   5.328
   55   1HD2  LEU 262          1HD2      LEU 262 -14.246  -0.412   3.532
   56   2HD2  LEU 262          2HD2      LEU 262 -13.682  -0.339   1.863
   57   3HD2  LEU 262          3HD2      LEU 262 -14.085   1.147   2.724
   58    H    ILE 263           H        ILE 263 -11.015   1.865  -0.646
   59    HA   ILE 263           HA       ILE 263  -8.306   2.502  -0.747
   60    HB   ILE 263           HB       ILE 263 -10.430   2.461  -2.859
   61   1HG1  ILE 263          1HG1      ILE 263  -8.017   0.716  -2.368
   62   2HG1  ILE 263          2HG1      ILE 263  -9.673   0.318  -1.924
   63   1HG2  ILE 263          1HG2      ILE 263  -8.079   2.441  -4.265
   64   2HG2  ILE 263          2HG2      ILE 263  -7.777   3.662  -3.029
   65   3HG2  ILE 263          3HG2      ILE 263  -9.164   3.823  -4.107
   66   1HD1  ILE 263          1HD1      ILE 263 -10.321   0.182  -4.217
   67   2HD1  ILE 263          2HD1      ILE 263  -8.864  -0.786  -3.993
   68   3HD1  ILE 263          3HD1      ILE 263  -8.759   0.805  -4.747
   69    H    ARG 264           H        ARG 264 -11.111   4.572  -1.565
   70    HA   ARG 264           HA       ARG 264  -9.543   6.819  -2.208
   71   1HB   ARG 264          1HB       ARG 264 -11.590   8.133  -2.037
   72   2HB   ARG 264          2HB       ARG 264 -11.832   6.667  -2.970
   73   1HG   ARG 264          1HG       ARG 264 -13.737   6.751  -1.689
   74   2HG   ARG 264          2HG       ARG 264 -12.705   5.685  -0.736
   75   1HD   ARG 264          1HD       ARG 264 -13.820   7.324   0.683
   76   2HD   ARG 264          2HD       ARG 264 -12.075   7.566   0.690
   77    HE   ARG 264           HE       ARG 264 -12.463   9.665  -0.083
   78   1HH1  ARG 264          1HH1      ARG 264 -15.140   7.653  -1.060
   79   2HH1  ARG 264          2HH1      ARG 264 -15.989   8.945  -1.841
   80   1HH2  ARG 264          1HH2      ARG 264 -13.576  11.365  -1.106
   81   2HH2  ARG 264          2HH2      ARG 264 -15.101  11.055  -1.865
   82    H    LYS 265           H        LYS 265 -10.902   5.679   0.848
   83    HA   LYS 265           HA       LYS 265 -10.441   7.969   2.388
   84   1HB   LYS 265          1HB       LYS 265 -10.300   5.039   3.116
   85   2HB   LYS 265          2HB       LYS 265 -10.115   6.322   4.303
   86   1HG   LYS 265          1HG       LYS 265 -12.357   7.145   3.753
   87   2HG   LYS 265          2HG       LYS 265 -12.541   5.834   2.586
   88   1HD   LYS 265          1HD       LYS 265 -12.349   4.190   4.358
   89   2HD   LYS 265          2HD       LYS 265 -12.053   5.465   5.541
   90   1HE   LYS 265          1HE       LYS 265 -14.284   6.379   5.107
   91   2HE   LYS 265          2HE       LYS 265 -14.577   5.102   3.931
   92   1HZ   LYS 265          1HZ       LYS 265 -14.984   3.606   5.532
   93   2HZ   LYS 265          2HZ       LYS 265 -15.268   4.957   6.509
   94   3HZ   LYS 265          3HZ       LYS 265 -13.764   4.185   6.551
   95    H    ALA 266           H        ALA 266  -8.340   5.297   1.477
   96    HA   ALA 266           HA       ALA 266  -6.029   6.177   2.857
   97   1HB   ALA 266          1HB       ALA 266  -5.131   4.767   0.638
   98   2HB   ALA 266          2HB       ALA 266  -6.721   4.081   0.975
   99   3HB   ALA 266          3HB       ALA 266  -5.484   4.101   2.232
  100    H    ILE 267           H        ILE 267  -7.434   6.860  -0.278
  101    HA   ILE 267           HA       ILE 267  -5.263   8.155  -1.482
  102    HB   ILE 267           HB       ILE 267  -8.214   8.635  -1.882
  103   1HG1  ILE 267          1HG1      ILE 267  -7.492   6.340  -2.388
  104   2HG1  ILE 267          2HG1      ILE 267  -7.949   7.201  -3.853
  105   1HG2  ILE 267          1HG2      ILE 267  -7.473   9.560  -4.103
  106   2HG2  ILE 267          2HG2      ILE 267  -5.833   9.591  -3.454
  107   3HG2  ILE 267          3HG2      ILE 267  -7.097  10.560  -2.699
  108   1HD1  ILE 267          1HD1      ILE 267  -5.981   5.903  -4.273
  109   2HD1  ILE 267          2HD1      ILE 267  -5.157   6.626  -2.891
  110   3HD1  ILE 267          3HD1      ILE 267  -5.551   7.613  -4.298
  111    H    GLU 268           H        GLU 268  -7.921   9.425   0.488
  112    HA   GLU 268           HA       GLU 268  -7.176  12.135   0.339
  113   1HB   GLU 268          1HB       GLU 268  -8.751  10.668   2.456
  114   2HB   GLU 268          2HB       GLU 268  -8.641  12.417   2.322
  115   1HG   GLU 268          1HG       GLU 268  -9.777  10.587   0.220
  116   2HG   GLU 268          2HG       GLU 268 -10.723  11.511   1.385
  117    H    LEU 269           H        LEU 269  -6.494   9.643   2.790
  118    HA   LEU 269           HA       LEU 269  -5.082  11.275   4.575
  119   1HB   LEU 269          1HB       LEU 269  -4.690   8.343   3.981
  120   2HB   LEU 269          2HB       LEU 269  -4.029   9.182   5.369
  121    HG   LEU 269           HG       LEU 269  -6.963   8.766   4.796
  122   1HD1  LEU 269          1HD1      LEU 269  -6.643   6.774   5.724
  123   2HD1  LEU 269          2HD1      LEU 269  -6.229   7.607   7.223
  124   3HD1  LEU 269          3HD1      LEU 269  -4.957   7.150   6.087
  125   1HD2  LEU 269          1HD2      LEU 269  -6.134  10.892   6.060
  126   2HD2  LEU 269          2HD2      LEU 269  -5.848   9.761   7.383
  127   3HD2  LEU 269          3HD2      LEU 269  -7.470   9.944   6.714
  128    H    SER 270           H        SER 270  -3.923   9.314   1.864
  129    HA   SER 270           HA       SER 270  -1.190   9.814   2.185
  130   1HB   SER 270          1HB       SER 270  -2.073   8.028   0.749
  131   2HB   SER 270          2HB       SER 270  -2.715   9.238  -0.364
  132    HG   SER 270           HG       SER 270   0.006   9.313   0.293
  133    H    LEU 271           H        LEU 271  -3.609  11.503   0.199
  134    HA   LEU 271           HA       LEU 271  -1.843  13.354  -0.961
  135   1HB   LEU 271          1HB       LEU 271  -4.796  13.574  -0.378
  136   2HB   LEU 271          2HB       LEU 271  -3.898  14.734  -1.338
  137    HG   LEU 271           HG       LEU 271  -4.272  11.817  -2.025
  138   1HD1  LEU 271          1HD1      LEU 271  -6.341  12.746  -2.447
  139   2HD1  LEU 271          2HD1      LEU 271  -5.517  12.977  -3.989
  140   3HD1  LEU 271          3HD1      LEU 271  -5.667  14.323  -2.858
  141   1HD2  LEU 271          1HD2      LEU 271  -2.823  14.068  -3.392
  142   2HD2  LEU 271          2HD2      LEU 271  -3.365  12.627  -4.252
  143   3HD2  LEU 271          3HD2      LEU 271  -2.202  12.482  -2.934
  144    H    LYS 272           H        LYS 272  -3.741  13.484   2.022
  145    HA   LYS 272           HA       LYS 272  -3.279  16.136   2.725
  146   1HB   LYS 272          1HB       LYS 272  -4.869  14.660   3.893
  147   2HB   LYS 272          2HB       LYS 272  -3.526  13.745   4.563
  148   1HG   LYS 272          1HG       LYS 272  -4.388  15.255   6.222
  149   2HG   LYS 272          2HG       LYS 272  -2.770  15.772   5.744
  150   1HD   LYS 272          1HD       LYS 272  -3.762  17.449   4.249
  151   2HD   LYS 272          2HD       LYS 272  -5.373  16.940   4.759
  152   1HE   LYS 272          1HE       LYS 272  -3.235  18.103   6.541
  153   2HE   LYS 272          2HE       LYS 272  -4.655  18.957   5.941
  154   1HZ   LYS 272          1HZ       LYS 272  -4.584  16.678   7.835
  155   2HZ   LYS 272          2HZ       LYS 272  -6.008  17.221   7.101
  156   3HZ   LYS 272          3HZ       LYS 272  -5.141  18.250   8.126
  157    H    GLU 273           H        GLU 273  -1.331  13.247   3.334
  158    HA   GLU 273           HA       GLU 273   0.637  14.436   4.943
  159   1HB   GLU 273          1HB       GLU 273   0.924  12.113   3.027
  160   2HB   GLU 273          2HB       GLU 273   2.041  12.515   4.323
  161   1HG   GLU 273          1HG       GLU 273  -0.841  11.730   4.698
  162   2HG   GLU 273          2HG       GLU 273   0.543  10.657   4.893
  163    H    SER 274           H        SER 274   0.313  14.157   1.446
  164    HA   SER 274           HA       SER 274   2.884  15.302   0.882
  165   1HB   SER 274          1HB       SER 274   1.844  13.733  -0.688
  166   2HB   SER 274          2HB       SER 274   0.495  14.845  -0.922
  167    HG   SER 274           HG       SER 274   2.443  14.816  -2.450
  168    H    ARG 275           H        ARG 275   1.926  17.067   2.572
  169    HA   ARG 275           HA       ARG 275   0.243  19.093   1.702
  170   1HB   ARG 275          1HB       ARG 275   2.669  19.368   3.487
  171   2HB   ARG 275          2HB       ARG 275   1.327  20.500   3.389
  172   1HG   ARG 275          1HG       ARG 275  -0.190  18.805   4.251
  173   2HG   ARG 275          2HG       ARG 275   1.134  17.640   4.312
  174   1HD   ARG 275          1HD       ARG 275   2.309  19.079   5.916
  175   2HD   ARG 275          2HD       ARG 275   0.966  20.220   5.866
  176    HE   ARG 275           HE       ARG 275  -0.039  17.700   6.549
  177   1HH1  ARG 275          1HH1      ARG 275   2.013  20.184   7.877
  178   2HH1  ARG 275          2HH1      ARG 275   1.628  19.802   9.521
  179   1HH2  ARG 275          1HH2      ARG 275  -0.551  17.190   8.711
  180   2HH2  ARG 275          2HH2      ARG 275   0.172  18.099   9.996
  181    H    ASN 276           H        ASN 276   3.778  18.860   1.400
  182    HA   ASN 276           HA       ASN 276   3.716  20.388  -1.047
  183   1HB   ASN 276          1HB       ASN 276   5.098  21.481   1.413
  184   2HB   ASN 276          2HB       ASN 276   5.388  22.067  -0.221
  185   1HD2  ASN 276          1HD2      ASN 276   3.753  22.667   2.534
  186   2HD2  ASN 276          2HD2      ASN 276   2.439  23.596   1.907
  187    H    SER 277           H        SER 277   4.444  17.740  -0.453
  188    HA   SER 277           HA       SER 277   7.261  17.462  -0.155
  189   1HB   SER 277          1HB       SER 277   6.878  15.118  -0.844
  190   2HB   SER 277          2HB       SER 277   5.741  15.627   0.404
  191    HG   SER 277           HG       SER 277   5.216  15.545  -2.385
  192    H    ALA 278           H        ALA 278   5.075  17.424  -2.949
  193    HA   ALA 278           HA       ALA 278   6.992  16.861  -4.916
  194   1HB   ALA 278          1HB       ALA 278   4.229  17.606  -4.829
  195   2HB   ALA 278          2HB       ALA 278   5.117  16.764  -6.099
  196   3HB   ALA 278          3HB       ALA 278   5.054  18.527  -6.086
  197   1H    MET   1          1H        MET   1  16.865  -1.369   5.240
  198   2H    MET   1          2H        MET   1  17.356  -1.427   3.623
  199   3H    MET   1          3H        MET   1  16.381  -2.656   4.254
  200    HA   MET   1           HA       MET   1  15.420   0.115   4.312
  201   1HB   MET   1          1HB       MET   1  16.249  -0.298   2.025
  202   2HB   MET   1          2HB       MET   1  15.269  -1.754   1.936
  203   1HG   MET   1          1HG       MET   1  13.244  -0.407   2.148
  204   2HG   MET   1          2HG       MET   1  14.229   1.053   2.233
  205   1HE   MET   1          1HE       MET   1  11.834   0.565  -0.284
  206   2HE   MET   1          2HE       MET   1  12.822   1.720  -1.178
  207   3HE   MET   1          3HE       MET   1  12.620   1.896   0.565
  208    H    GLN   2           H        GLN   2  13.385   0.183   5.061
  209    HA   GLN   2           HA       GLN   2  11.660  -2.142   4.888
  210   1HB   GLN   2          1HB       GLN   2  11.205  -2.169   7.317
  211   2HB   GLN   2          2HB       GLN   2  12.862  -2.614   6.934
  212   1HG   GLN   2          1HG       GLN   2  13.578  -0.331   7.504
  213   2HG   GLN   2          2HG       GLN   2  11.918   0.055   7.954
  214   1HE2  GLN   2          1HE2      GLN   2  11.572  -0.006  10.046
  215   2HE2  GLN   2          2HE2      GLN   2  12.353  -1.044  11.185
  216    H    ILE   3           H        ILE   3   9.507  -1.672   5.030
  217    HA   ILE   3           HA       ILE   3   8.755   1.141   5.456
  218    HB   ILE   3           HB       ILE   3   7.106   0.867   3.586
  219   1HG1  ILE   3          1HG1      ILE   3   8.730  -1.642   3.090
  220   2HG1  ILE   3          2HG1      ILE   3   7.027  -1.572   3.526
  221   1HG2  ILE   3          1HG2      ILE   3   9.921   1.321   3.474
  222   2HG2  ILE   3          2HG2      ILE   3   8.644   2.035   2.490
  223   3HG2  ILE   3          3HG2      ILE   3   9.409   0.529   1.984
  224   1HD1  ILE   3          1HD1      ILE   3   7.184  -0.029   1.244
  225   2HD1  ILE   3          2HD1      ILE   3   6.609  -1.692   1.354
  226   3HD1  ILE   3          3HD1      ILE   3   8.291  -1.367   0.935
  227    H    PHE   4           H        PHE   4   6.748   1.502   6.382
  228    HA   PHE   4           HA       PHE   4   5.572  -0.812   7.709
  229   1HB   PHE   4          1HB       PHE   4   5.362   2.151   8.125
  230   2HB   PHE   4          2HB       PHE   4   4.169   1.068   8.829
  231    HD1  PHE   4           HD1      PHE   4   7.823   1.722   8.684
  232    HD2  PHE   4           HD2      PHE   4   4.575   0.015  10.839
  233    HE1  PHE   4           HE1      PHE   4   9.316   1.301  10.594
  234    HE2  PHE   4           HE2      PHE   4   6.060  -0.415  12.751
  235    HZ   PHE   4           HZ       PHE   4   8.435   0.236  12.632
  236    H    VAL   5           H        VAL   5   3.679  -1.692   7.200
  237    HA   VAL   5           HA       VAL   5   2.143  -0.520   5.012
  238    HB   VAL   5           HB       VAL   5   1.834  -3.214   6.351
  239   1HG1  VAL   5          1HG1      VAL   5   0.614  -3.633   4.093
  240   2HG1  VAL   5          2HG1      VAL   5   0.436  -1.879   4.072
  241   3HG1  VAL   5          3HG1      VAL   5  -0.237  -2.818   5.405
  242   1HG2  VAL   5          1HG2      VAL   5   3.187  -2.429   3.772
  243   2HG2  VAL   5          2HG2      VAL   5   2.863  -4.089   4.275
  244   3HG2  VAL   5          3HG2      VAL   5   3.959  -3.080   5.219
  245    H    LYS   6           H        LYS   6   0.263   0.488   5.324
  246    HA   LYS   6           HA       LYS   6  -0.874   0.501   8.029
  247   1HB   LYS   6          1HB       LYS   6  -0.211   2.684   7.190
  248   2HB   LYS   6          2HB       LYS   6  -1.184   2.455   5.744
  249   1HG   LYS   6          1HG       LYS   6  -2.324   3.930   7.259
  250   2HG   LYS   6          2HG       LYS   6  -3.209   2.408   7.146
  251   1HD   LYS   6          1HD       LYS   6  -2.222   1.670   9.254
  252   2HD   LYS   6          2HD       LYS   6  -1.305   3.174   9.359
  253   1HE   LYS   6          1HE       LYS   6  -3.399   4.440   9.446
  254   2HE   LYS   6          2HE       LYS   6  -4.312   2.936   9.346
  255   1HZ   LYS   6          1HZ       LYS   6  -2.727   3.999  11.581
  256   2HZ   LYS   6          2HZ       LYS   6  -2.927   2.326  11.434
  257   3HZ   LYS   6          3HZ       LYS   6  -4.281   3.328  11.591
  258    H    THR   7           H        THR   7  -2.905  -0.150   8.437
  259    HA   THR   7           HA       THR   7  -4.506  -1.095   6.149
  260    HB   THR   7           HB       THR   7  -5.574  -2.681   7.699
  261    HG1  THR   7           HG1      THR   7  -3.901  -1.364   9.546
  262   1HG2  THR   7          1HG2      THR   7  -3.354  -3.973   8.268
  263   2HG2  THR   7          2HG2      THR   7  -2.619  -2.713   7.276
  264   3HG2  THR   7          3HG2      THR   7  -3.865  -3.758   6.594
  265    H    LEU   8           H        LEU   8  -6.652  -0.513   6.004
  266    HA   LEU   8           HA       LEU   8  -7.493   1.913   7.021
  267   1HB   LEU   8          1HB       LEU   8  -9.016  -0.428   5.929
  268   2HB   LEU   8          2HB       LEU   8  -9.861   0.988   6.521
  269    HG   LEU   8           HG       LEU   8  -9.629   1.113   4.118
  270   1HD1  LEU   8          1HD1      LEU   8  -7.850   3.194   4.259
  271   2HD1  LEU   8          2HD1      LEU   8  -8.428   3.059   5.919
  272   3HD1  LEU   8          3HD1      LEU   8  -9.578   3.287   4.602
  273   1HD2  LEU   8          1HD2      LEU   8  -6.644   1.086   4.507
  274   2HD2  LEU   8          2HD2      LEU   8  -7.533   1.135   2.985
  275   3HD2  LEU   8          3HD2      LEU   8  -7.586  -0.313   3.989
  276    H    THR   9           H        THR   9  -7.732  -1.266   8.431
  277    HA   THR   9           HA       THR   9  -9.651  -0.743  10.411
  278    HB   THR   9           HB       THR   9  -8.702  -2.659  11.623
  279    HG1  THR   9           HG1      THR   9  -6.846  -3.703  10.576
  280   1HG2  THR   9          1HG2      THR   9 -10.095  -2.829   9.427
  281   2HG2  THR   9          2HG2      THR   9  -9.327  -4.275  10.083
  282   3HG2  THR   9          3HG2      THR   9  -8.586  -3.419   8.730
  283    H    GLY  10           H        GLY  10  -6.114  -0.407  10.435
  284   1HA   GLY  10          1HA       GLY  10  -5.434   1.698  11.673
  285   2HA   GLY  10          2HA       GLY  10  -6.357   1.023  13.006
  286    H    LYS  11           H        LYS  11  -3.931  -0.305  10.735
  287    HA   LYS  11           HA       LYS  11  -2.220  -0.912  13.027
  288   1HB   LYS  11          1HB       LYS  11  -3.508  -2.932  12.743
  289   2HB   LYS  11          2HB       LYS  11  -3.168  -2.955  11.018
  290   1HG   LYS  11          1HG       LYS  11  -0.786  -3.292  11.501
  291   2HG   LYS  11          2HG       LYS  11  -1.150  -3.308  13.227
  292   1HD   LYS  11          1HD       LYS  11  -2.321  -5.234  11.224
  293   2HD   LYS  11          2HD       LYS  11  -0.899  -5.572  12.211
  294   1HE   LYS  11          1HE       LYS  11  -3.673  -4.964  13.222
  295   2HE   LYS  11          2HE       LYS  11  -2.891  -6.544  13.205
  296   1HZ   LYS  11          1HZ       LYS  11  -1.165  -4.813  14.510
  297   2HZ   LYS  11          2HZ       LYS  11  -2.069  -6.070  15.190
  298   3HZ   LYS  11          3HZ       LYS  11  -2.703  -4.503  15.143
  299    H    THR  12           H        THR  12  -0.122  -0.703  12.656
  300    HA   THR  12           HA       THR  12   0.817  -0.395   9.885
  301    HB   THR  12           HB       THR  12   2.560   1.129  10.829
  302    HG1  THR  12           HG1      THR  12   1.015   1.625  13.081
  303   1HG2  THR  12          1HG2      THR  12   0.249   1.826   9.846
  304   2HG2  THR  12          2HG2      THR  12   1.257   3.029  10.650
  305   3HG2  THR  12          3HG2      THR  12  -0.101   2.301  11.508
  306    H    ILE  13           H        ILE  13   2.363  -1.854   9.332
  307    HA   ILE  13           HA       ILE  13   3.932  -3.049  11.525
  308    HB   ILE  13           HB       ILE  13   2.744  -4.587   9.219
  309   1HG1  ILE  13          1HG1      ILE  13   1.072  -3.962  10.922
  310   2HG1  ILE  13          2HG1      ILE  13   1.374  -5.696  10.919
  311   1HG2  ILE  13          1HG2      ILE  13   4.851  -5.166  11.172
  312   2HG2  ILE  13          2HG2      ILE  13   4.526  -5.894   9.596
  313   3HG2  ILE  13          3HG2      ILE  13   3.620  -6.422  11.017
  314   1HD1  ILE  13          1HD1      ILE  13   1.580  -5.487  13.122
  315   2HD1  ILE  13          2HD1      ILE  13   1.749  -3.734  13.028
  316   3HD1  ILE  13          3HD1      ILE  13   3.156  -4.771  12.788
  317    H    THR  14           H        THR  14   6.032  -3.470  11.158
  318    HA   THR  14           HA       THR  14   7.348  -2.165   9.003
  319    HB   THR  14           HB       THR  14   8.579  -4.243  10.816
  320    HG1  THR  14           HG1      THR  14   7.648  -2.770  12.196
  321   1HG2  THR  14          1HG2      THR  14  10.626  -3.301  10.285
  322   2HG2  THR  14          2HG2      THR  14   9.911  -1.761   9.807
  323   3HG2  THR  14          3HG2      THR  14   9.763  -3.167   8.752
  324    H    LEU  15           H        LEU  15   8.254  -2.988   7.152
  325    HA   LEU  15           HA       LEU  15   8.306  -5.864   6.731
  326   1HB   LEU  15          1HB       LEU  15   6.028  -4.932   6.032
  327   2HB   LEU  15          2HB       LEU  15   6.879  -4.106   4.742
  328    HG   LEU  15           HG       LEU  15   5.793  -6.196   4.001
  329   1HD1  LEU  15          1HD1      LEU  15   8.298  -5.287   3.350
  330   2HD1  LEU  15          2HD1      LEU  15   7.377  -6.508   2.470
  331   3HD1  LEU  15          3HD1      LEU  15   8.568  -6.999   3.674
  332   1HD2  LEU  15          1HD2      LEU  15   7.662  -8.079   5.048
  333   2HD2  LEU  15          2HD2      LEU  15   5.905  -8.058   5.191
  334   3HD2  LEU  15          3HD2      LEU  15   6.897  -7.218   6.383
  335    H    GLU  16           H        GLU  16  10.307  -6.208   6.097
  336    HA   GLU  16           HA       GLU  16  11.975  -4.204   4.988
  337   1HB   GLU  16          1HB       GLU  16  12.856  -6.036   6.354
  338   2HB   GLU  16          2HB       GLU  16  12.379  -7.191   5.131
  339   1HG   GLU  16          1HG       GLU  16  13.928  -6.181   3.567
  340   2HG   GLU  16          2HG       GLU  16  14.406  -5.028   4.799
  341    H    VAL  17           H        VAL  17  12.518  -3.735   2.950
  342    HA   VAL  17           HA       VAL  17  11.798  -5.544   0.779
  343    HB   VAL  17           HB       VAL  17  10.706  -3.723  -0.516
  344   1HG1  VAL  17          1HG1      VAL  17   9.108  -4.020   1.980
  345   2HG1  VAL  17          2HG1      VAL  17   9.540  -5.463   1.063
  346   3HG1  VAL  17          3HG1      VAL  17   8.610  -4.176   0.295
  347   1HG2  VAL  17          1HG2      VAL  17  11.744  -2.026   1.314
  348   2HG2  VAL  17          2HG2      VAL  17  10.089  -2.170   1.906
  349   3HG2  VAL  17          3HG2      VAL  17  10.391  -1.630   0.255
  350    H    GLU  18           H        GLU  18  13.241  -5.512  -0.830
  351    HA   GLU  18           HA       GLU  18  15.627  -3.995  -0.586
  352   1HB   GLU  18          1HB       GLU  18  14.602  -5.630  -2.916
  353   2HB   GLU  18          2HB       GLU  18  16.244  -5.024  -2.746
  354   1HG   GLU  18          1HG       GLU  18  16.533  -6.382  -0.732
  355   2HG   GLU  18          2HG       GLU  18  14.890  -6.994  -0.915
  356    H    SER  19           H        SER  19  16.438  -2.350  -1.943
  357    HA   SER  19           HA       SER  19  14.709  -0.290  -2.577
  358   1HB   SER  19          1HB       SER  19  16.578   0.692  -3.852
  359   2HB   SER  19          2HB       SER  19  17.124   0.034  -2.310
  360    HG   SER  19           HG       SER  19  17.903  -1.776  -3.410
  361    H    SER  20           H        SER  20  16.148  -2.675  -4.802
  362    HA   SER  20           HA       SER  20  14.294  -1.785  -6.891
  363   1HB   SER  20          1HB       SER  20  15.698  -3.121  -8.423
  364   2HB   SER  20          2HB       SER  20  16.648  -1.926  -7.541
  365    HG   SER  20           HG       SER  20  16.995  -4.554  -7.631
  366    H    ASP  21           H        ASP  21  13.312  -3.290  -4.646
  367    HA   ASP  21           HA       ASP  21  12.925  -6.008  -5.516
  368   1HB   ASP  21          1HB       ASP  21  13.045  -5.358  -3.110
  369   2HB   ASP  21          2HB       ASP  21  11.516  -4.506  -3.300
  370    H    THR  22           H        THR  22  11.287  -6.816  -6.677
  371    HA   THR  22           HA       THR  22   9.501  -5.088  -8.047
  372    HB   THR  22           HB       THR  22   8.489  -7.146  -8.954
  373    HG1  THR  22           HG1      THR  22   8.798  -9.024  -8.005
  374   1HG2  THR  22          1HG2      THR  22  10.177  -7.254 -10.408
  375   2HG2  THR  22          2HG2      THR  22  11.234  -8.001  -9.210
  376   3HG2  THR  22          3HG2      THR  22  11.113  -6.244  -9.306
  377    H    ILE  23           H        ILE  23   7.321  -4.733  -7.797
  378    HA   ILE  23           HA       ILE  23   6.226  -4.632  -5.267
  379    HB   ILE  23           HB       ILE  23   4.721  -4.846  -7.878
  380   1HG1  ILE  23          1HG1      ILE  23   6.312  -2.984  -7.853
  381   2HG1  ILE  23          2HG1      ILE  23   4.658  -2.388  -7.782
  382   1HG2  ILE  23          1HG2      ILE  23   3.289  -5.307  -5.958
  383   2HG2  ILE  23          2HG2      ILE  23   2.881  -3.760  -6.697
  384   3HG2  ILE  23          3HG2      ILE  23   3.811  -3.803  -5.199
  385   1HD1  ILE  23          1HD1      ILE  23   6.111  -2.791  -5.225
  386   2HD1  ILE  23          2HD1      ILE  23   4.892  -1.593  -5.661
  387   3HD1  ILE  23          3HD1      ILE  23   6.550  -1.415  -6.237
  388    H    ASP  24           H        ASP  24   5.907  -7.187  -7.698
  389    HA   ASP  24           HA       ASP  24   3.985  -8.754  -6.410
  390   1HB   ASP  24          1HB       ASP  24   4.721  -9.129  -8.733
  391   2HB   ASP  24          2HB       ASP  24   6.289  -9.673  -8.147
  392    H    ASN  25           H        ASN  25   7.533  -8.868  -6.203
  393    HA   ASN  25           HA       ASN  25   7.727 -11.004  -4.406
  394   1HB   ASN  25          1HB       ASN  25   9.654 -10.082  -5.649
  395   2HB   ASN  25          2HB       ASN  25   9.576  -8.620  -4.671
  396   1HD2  ASN  25          1HD2      ASN  25  11.152 -11.443  -5.046
  397   2HD2  ASN  25          2HD2      ASN  25  11.734 -11.682  -3.437
  398    H    VAL  26           H        VAL  26   7.350  -7.533  -3.877
  399    HA   VAL  26           HA       VAL  26   7.638  -7.488  -1.097
  400    HB   VAL  26           HB       VAL  26   5.840  -5.742  -2.789
  401   1HG1  VAL  26          1HG1      VAL  26   6.641  -5.684   0.066
  402   2HG1  VAL  26          2HG1      VAL  26   5.131  -5.189  -0.698
  403   3HG1  VAL  26          3HG1      VAL  26   6.549  -4.145  -0.789
  404   1HG2  VAL  26          1HG2      VAL  26   8.104  -5.638  -3.603
  405   2HG2  VAL  26          2HG2      VAL  26   8.722  -5.409  -1.967
  406   3HG2  VAL  26          3HG2      VAL  26   7.742  -4.153  -2.723
  407    H    LYS  27           H        LYS  27   4.778  -8.017  -3.123
  408    HA   LYS  27           HA       LYS  27   2.876  -8.177  -1.074
  409   1HB   LYS  27          1HB       LYS  27   2.954  -9.513  -3.783
  410   2HB   LYS  27          2HB       LYS  27   1.552  -9.535  -2.723
  411   1HG   LYS  27          1HG       LYS  27   2.834  -7.067  -3.878
  412   2HG   LYS  27          2HG       LYS  27   1.357  -7.835  -4.463
  413   1HD   LYS  27          1HD       LYS  27   0.326  -7.447  -2.246
  414   2HD   LYS  27          2HD       LYS  27   1.786  -6.592  -1.746
  415   1HE   LYS  27          1HE       LYS  27   0.070  -5.018  -2.439
  416   2HE   LYS  27          2HE       LYS  27   1.443  -4.966  -3.545
  417   1HZ   LYS  27          1HZ       LYS  27  -1.036  -6.514  -4.058
  418   2HZ   LYS  27          2HZ       LYS  27   0.236  -6.239  -5.138
  419   3HZ   LYS  27          3HZ       LYS  27  -0.755  -4.956  -4.655
  420    H    SER  28           H        SER  28   4.958 -10.641  -2.526
  421    HA   SER  28           HA       SER  28   3.898 -12.885  -1.234
  422   1HB   SER  28          1HB       SER  28   5.508 -13.058  -3.078
  423   2HB   SER  28          2HB       SER  28   6.766 -12.359  -2.060
  424    HG   SER  28           HG       SER  28   5.852 -14.919  -2.179
  425    H    LYS  29           H        LYS  29   6.528 -10.706  -0.246
  426    HA   LYS  29           HA       LYS  29   7.154 -11.999   2.170
  427   1HB   LYS  29          1HB       LYS  29   7.417  -9.064   1.486
  428   2HB   LYS  29          2HB       LYS  29   8.231  -9.886   2.811
  429   1HG   LYS  29          1HG       LYS  29   9.407 -11.304   1.181
  430   2HG   LYS  29          2HG       LYS  29   8.626 -10.414  -0.127
  431   1HD   LYS  29          1HD       LYS  29  10.792  -9.483   0.128
  432   2HD   LYS  29          2HD       LYS  29   9.661  -8.324   0.828
  433   1HE   LYS  29          1HE       LYS  29  11.245 -10.353   2.402
  434   2HE   LYS  29          2HE       LYS  29  11.707  -8.666   2.191
  435   1HZ   LYS  29          1HZ       LYS  29   9.537  -9.813   3.794
  436   2HZ   LYS  29          2HZ       LYS  29   9.319  -8.269   3.139
  437   3HZ   LYS  29          3HZ       LYS  29  10.620  -8.571   4.177
  438    H    ILE  30           H        ILE  30   4.914  -9.355   1.437
  439    HA   ILE  30           HA       ILE  30   4.068  -8.856   4.074
  440    HB   ILE  30           HB       ILE  30   2.547  -8.473   1.487
  441   1HG1  ILE  30          1HG1      ILE  30   4.181  -6.515   3.119
  442   2HG1  ILE  30          2HG1      ILE  30   4.701  -7.255   1.609
  443   1HG2  ILE  30          1HG2      ILE  30   1.069  -8.513   3.443
  444   2HG2  ILE  30          2HG2      ILE  30   1.156  -6.907   2.721
  445   3HG2  ILE  30          3HG2      ILE  30   2.048  -7.257   4.202
  446   1HD1  ILE  30          1HD1      ILE  30   2.828  -5.040   2.091
  447   2HD1  ILE  30          2HD1      ILE  30   2.376  -6.172   0.817
  448   3HD1  ILE  30          3HD1      ILE  30   3.925  -5.333   0.741
  449    H    GLN  31           H        GLN  31   3.052 -11.169   1.644
  450    HA   GLN  31           HA       GLN  31   0.673 -12.052   2.840
  451   1HB   GLN  31          1HB       GLN  31   1.207 -12.619   0.548
  452   2HB   GLN  31          2HB       GLN  31   2.641 -13.499   1.057
  453   1HG   GLN  31          1HG       GLN  31   0.910 -15.055   0.493
  454   2HG   GLN  31          2HG       GLN  31   1.197 -15.114   2.231
  455   1HE2  GLN  31          1HE2      GLN  31  -0.562 -15.201   3.414
  456   2HE2  GLN  31          2HE2      GLN  31  -2.111 -14.562   2.994
  457    H    ASP  32           H        ASP  32   3.960 -13.430   3.013
  458    HA   ASP  32           HA       ASP  32   3.337 -15.463   4.843
  459   1HB   ASP  32          1HB       ASP  32   5.404 -15.429   3.511
  460   2HB   ASP  32          2HB       ASP  32   5.976 -14.042   4.432
  461    H    LYS  33           H        LYS  33   4.408 -12.135   5.348
  462    HA   LYS  33           HA       LYS  33   4.701 -12.386   8.168
  463   1HB   LYS  33          1HB       LYS  33   5.896 -10.690   6.864
  464   2HB   LYS  33          2HB       LYS  33   4.370  -9.917   6.459
  465   1HG   LYS  33          1HG       LYS  33   5.440  -8.681   8.209
  466   2HG   LYS  33          2HG       LYS  33   4.002  -9.469   8.861
  467   1HD   LYS  33          1HD       LYS  33   5.422 -11.262   9.771
  468   2HD   LYS  33          2HD       LYS  33   6.850 -10.430   9.151
  469   1HE   LYS  33          1HE       LYS  33   6.544  -9.960  11.516
  470   2HE   LYS  33          2HE       LYS  33   6.325  -8.496  10.559
  471   1HZ   LYS  33          1HZ       LYS  33   4.219  -8.305  11.216
  472   2HZ   LYS  33          2HZ       LYS  33   4.602  -9.419  12.429
  473   3HZ   LYS  33          3HZ       LYS  33   3.886  -9.949  10.992
  474    H    GLU  34           H        GLU  34   2.419 -10.242   6.467
  475    HA   GLU  34           HA       GLU  34   0.678 -10.134   8.723
  476   1HB   GLU  34          1HB       GLU  34   0.349  -9.107   5.906
  477   2HB   GLU  34          2HB       GLU  34  -0.780  -8.781   7.215
  478   1HG   GLU  34          1HG       GLU  34   2.124  -7.990   7.159
  479   2HG   GLU  34          2HG       GLU  34   0.754  -6.923   6.856
  480    H    GLY  35           H        GLY  35   0.527 -11.827   5.609
  481   1HA   GLY  35          1HA       GLY  35  -0.663 -13.806   5.205
  482   2HA   GLY  35          2HA       GLY  35  -1.515 -13.579   6.725
  483    H    ILE  36           H        ILE  36  -1.172 -11.284   4.060
  484    HA   ILE  36           HA       ILE  36  -4.096 -11.392   3.687
  485    HB   ILE  36           HB       ILE  36  -2.251  -9.014   3.397
  486   1HG1  ILE  36          1HG1      ILE  36  -4.512  -9.566   5.333
  487   2HG1  ILE  36          2HG1      ILE  36  -2.797  -9.608   5.726
  488   1HG2  ILE  36          1HG2      ILE  36  -5.213  -8.797   3.195
  489   2HG2  ILE  36          2HG2      ILE  36  -4.301  -9.342   1.787
  490   3HG2  ILE  36          3HG2      ILE  36  -3.956  -7.769   2.507
  491   1HD1  ILE  36          1HD1      ILE  36  -3.176  -7.512   6.420
  492   2HD1  ILE  36          2HD1      ILE  36  -4.614  -7.327   5.416
  493   3HD1  ILE  36          3HD1      ILE  36  -3.012  -7.118   4.709
  494    HA   PRO  37           HA       PRO  37  -3.327 -12.784  -0.458
  495   1HB   PRO  37          1HB       PRO  37  -5.711 -11.166  -1.157
  496   2HB   PRO  37          2HB       PRO  37  -5.390 -12.878  -1.442
  497   1HG   PRO  37          1HG       PRO  37  -7.101 -12.045   0.451
  498   2HG   PRO  37          2HG       PRO  37  -6.107 -13.500   0.653
  499   1HD   PRO  37          1HD       PRO  37  -5.818 -10.814   1.893
  500   2HD   PRO  37          2HD       PRO  37  -5.385 -12.410   2.536
  501    HA   PRO  38           HA       PRO  38  -1.074  -9.292  -2.102
  502   1HB   PRO  38          1HB       PRO  38  -1.064 -10.907  -4.588
  503   2HB   PRO  38          2HB       PRO  38   0.292 -10.236  -3.676
  504   1HG   PRO  38          1HG       PRO  38  -0.236 -12.851  -3.620
  505   2HG   PRO  38          2HG       PRO  38   0.324 -11.997  -2.170
  506   1HD   PRO  38          1HD       PRO  38  -2.438 -12.892  -2.896
  507   2HD   PRO  38          2HD       PRO  38  -1.621 -12.923  -1.320
  508    H    ASP  39           H        ASP  39  -3.471 -10.900  -4.189
  509    HA   ASP  39           HA       ASP  39  -3.951  -8.650  -5.834
  510   1HB   ASP  39          1HB       ASP  39  -4.478 -10.981  -6.490
  511   2HB   ASP  39          2HB       ASP  39  -5.762 -11.012  -5.286
  512    H    GLN  40           H        GLN  40  -5.644  -9.952  -3.001
  513    HA   GLN  40           HA       GLN  40  -7.810  -8.192  -2.993
  514   1HB   GLN  40          1HB       GLN  40  -7.753 -10.200  -1.620
  515   2HB   GLN  40          2HB       GLN  40  -6.436  -9.543  -0.661
  516   1HG   GLN  40          1HG       GLN  40  -7.900  -7.776   0.156
  517   2HG   GLN  40          2HG       GLN  40  -9.219  -8.408  -0.829
  518   1HE2  GLN  40          1HE2      GLN  40  -8.077  -8.292   2.203
  519   2HE2  GLN  40          2HE2      GLN  40  -8.731  -9.759   2.839
  520    H    GLN  41           H        GLN  41  -4.711  -7.917  -1.243
  521    HA   GLN  41           HA       GLN  41  -5.326  -5.341  -0.183
  522   1HB   GLN  41          1HB       GLN  41  -2.995  -5.297   0.549
  523   2HB   GLN  41          2HB       GLN  41  -3.735  -6.848   0.921
  524   1HG   GLN  41          1HG       GLN  41  -2.669  -7.792  -1.101
  525   2HG   GLN  41          2HG       GLN  41  -1.860  -6.246  -1.350
  526   1HE2  GLN  41          1HE2      GLN  41  -1.490  -9.263  -0.134
  527   2HE2  GLN  41          2HE2      GLN  41  -0.210  -8.973   0.989
  528    H    ARG  42           H        ARG  42  -4.895  -3.338  -0.960
  529    HA   ARG  42           HA       ARG  42  -3.555  -3.185  -3.584
  530   1HB   ARG  42          1HB       ARG  42  -5.755  -1.411  -2.509
  531   2HB   ARG  42          2HB       ARG  42  -4.973  -1.238  -4.073
  532   1HG   ARG  42          1HG       ARG  42  -6.601  -3.615  -3.197
  533   2HG   ARG  42          2HG       ARG  42  -7.171  -2.307  -4.235
  534   1HD   ARG  42          1HD       ARG  42  -5.459  -2.876  -5.888
  535   2HD   ARG  42          2HD       ARG  42  -4.885  -4.179  -4.849
  536    HE   ARG  42           HE       ARG  42  -7.612  -4.571  -5.317
  537   1HH1  ARG  42          1HH1      ARG  42  -4.600  -4.603  -7.074
  538   2HH1  ARG  42          2HH1      ARG  42  -5.146  -5.764  -8.237
  539   1HH2  ARG  42          1HH2      ARG  42  -8.335  -6.098  -6.843
  540   2HH2  ARG  42          2HH2      ARG  42  -7.268  -6.615  -8.106
  541    H    LEU  43           H        LEU  43  -1.767  -1.988  -3.687
  542    HA   LEU  43           HA       LEU  43  -0.880  -0.530  -1.362
  543   1HB   LEU  43          1HB       LEU  43   0.397  -0.897  -4.071
  544   2HB   LEU  43          2HB       LEU  43   1.162  -0.111  -2.704
  545    HG   LEU  43           HG       LEU  43   0.331  -3.011  -2.837
  546   1HD1  LEU  43          1HD1      LEU  43   3.029  -1.673  -2.924
  547   2HD1  LEU  43          2HD1      LEU  43   2.261  -2.606  -4.208
  548   3HD1  LEU  43          3HD1      LEU  43   2.776  -3.407  -2.724
  549   1HD2  LEU  43          1HD2      LEU  43   0.122  -2.504  -0.588
  550   2HD2  LEU  43          2HD2      LEU  43   1.414  -1.304  -0.632
  551   3HD2  LEU  43          3HD2      LEU  43   1.805  -3.022  -0.700
  552    H    ILE  44           H        ILE  44  -0.688   1.640  -1.109
  553    HA   ILE  44           HA       ILE  44  -1.315   3.424  -3.334
  554    HB   ILE  44           HB       ILE  44  -2.827   3.502  -0.716
  555   1HG1  ILE  44          1HG1      ILE  44  -3.807   2.987  -3.535
  556   2HG1  ILE  44          2HG1      ILE  44  -3.617   1.760  -2.286
  557   1HG2  ILE  44          1HG2      ILE  44  -2.140   5.614  -2.404
  558   2HG2  ILE  44          2HG2      ILE  44  -3.355   5.622  -1.125
  559   3HG2  ILE  44          3HG2      ILE  44  -3.823   5.246  -2.783
  560   1HD1  ILE  44          1HD1      ILE  44  -5.764   2.136  -1.845
  561   2HD1  ILE  44          2HD1      ILE  44  -5.772   3.659  -2.734
  562   3HD1  ILE  44          3HD1      ILE  44  -5.214   3.617  -1.062
  563    H    PHE  45           H        PHE  45  -0.278   5.361  -3.217
  564    HA   PHE  45           HA       PHE  45   0.720   6.482  -0.799
  565   1HB   PHE  45          1HB       PHE  45   2.348   4.643  -1.075
  566   2HB   PHE  45          2HB       PHE  45   2.760   5.258  -2.671
  567    HD1  PHE  45           HD1      PHE  45   4.896   6.090  -2.625
  568    HD2  PHE  45           HD2      PHE  45   2.289   6.942   0.629
  569    HE1  PHE  45           HE1      PHE  45   6.622   7.529  -1.625
  570    HE2  PHE  45           HE2      PHE  45   4.010   8.386   1.634
  571    HZ   PHE  45           HZ       PHE  45   6.180   8.681   0.506
  572    H    ALA  46           H        ALA  46   1.261   8.601  -1.060
  573    HA   ALA  46           HA       ALA  46   1.268  10.658  -2.035
  574   1HB   ALA  46          1HB       ALA  46   2.772  10.982  -3.834
  575   2HB   ALA  46          2HB       ALA  46   2.580   9.319  -4.389
  576   3HB   ALA  46          3HB       ALA  46   3.427   9.653  -2.878
  577    H    GLY  47           H        GLY  47  -1.114   9.241  -2.341
  578   1HA   GLY  47          1HA       GLY  47  -3.091   9.316  -3.497
  579   2HA   GLY  47          2HA       GLY  47  -2.440  10.743  -4.289
  580    H    LYS  48           H        LYS  48  -0.989   7.550  -4.480
  581    HA   LYS  48           HA       LYS  48  -2.118   7.057  -7.114
  582   1HB   LYS  48          1HB       LYS  48   0.847   7.465  -6.679
  583   2HB   LYS  48          2HB       LYS  48   0.152   6.747  -8.123
  584   1HG   LYS  48          1HG       LYS  48  -0.420   9.537  -7.148
  585   2HG   LYS  48          2HG       LYS  48   0.749   9.120  -8.401
  586   1HD   LYS  48          1HD       LYS  48  -1.062   8.152  -9.751
  587   2HD   LYS  48          2HD       LYS  48  -2.223   8.599  -8.500
  588   1HE   LYS  48          1HE       LYS  48  -1.686  10.951  -8.820
  589   2HE   LYS  48          2HE       LYS  48  -0.482  10.525 -10.034
  590   1HZ   LYS  48          1HZ       LYS  48  -3.027   9.394 -10.635
  591   2HZ   LYS  48          2HZ       LYS  48  -2.044  10.390 -11.585
  592   3HZ   LYS  48          3HZ       LYS  48  -3.127  11.076 -10.482
  593    H    GLN  49           H        GLN  49  -2.532   4.953  -7.299
  594    HA   GLN  49           HA       GLN  49  -1.666   3.117  -5.298
  595   1HB   GLN  49          1HB       GLN  49  -2.932   1.437  -6.587
  596   2HB   GLN  49          2HB       GLN  49  -3.873   2.880  -6.254
  597   1HG   GLN  49          1HG       GLN  49  -4.389   2.321  -8.454
  598   2HG   GLN  49          2HG       GLN  49  -3.238   3.646  -8.594
  599   1HE2  GLN  49          1HE2      GLN  49  -1.912   3.347 -10.221
  600   2HE2  GLN  49          2HE2      GLN  49  -1.227   1.842 -10.722
  601    H    LEU  50           H        LEU  50  -0.175   1.512  -5.373
  602    HA   LEU  50           HA       LEU  50   1.904   1.777  -7.347
  603   1HB   LEU  50          1HB       LEU  50   1.582  -0.016  -4.949
  604   2HB   LEU  50          2HB       LEU  50   2.961  -0.111  -6.025
  605    HG   LEU  50           HG       LEU  50   3.482   2.271  -5.481
  606   1HD1  LEU  50          1HD1      LEU  50   2.236   3.547  -4.125
  607   2HD1  LEU  50          2HD1      LEU  50   1.870   2.210  -3.033
  608   3HD1  LEU  50          3HD1      LEU  50   0.947   2.411  -4.522
  609   1HD2  LEU  50          1HD2      LEU  50   4.309   1.774  -3.184
  610   2HD2  LEU  50          2HD2      LEU  50   4.706   0.539  -4.380
  611   3HD2  LEU  50          3HD2      LEU  50   3.393   0.268  -3.235
  612    H    GLU  51           H        GLU  51   2.520   0.315  -8.890
  613    HA   GLU  51           HA       GLU  51   0.512  -1.290 -10.060
  614   1HB   GLU  51          1HB       GLU  51   3.489  -1.327 -10.571
  615   2HB   GLU  51          2HB       GLU  51   2.246  -1.965 -11.638
  616   1HG   GLU  51          1HG       GLU  51   1.341   0.287 -11.928
  617   2HG   GLU  51          2HG       GLU  51   2.607   0.922 -10.878
  618    H    ASP  52           H        ASP  52   2.320  -3.496 -10.797
  619    HA   ASP  52           HA       ASP  52   2.695  -4.989  -8.340
  620   1HB   ASP  52          1HB       ASP  52   1.279  -6.868  -9.093
  621   2HB   ASP  52          2HB       ASP  52   0.338  -5.403  -8.828
  622    H    GLY  53           H        GLY  53   4.531  -4.035 -10.213
  623   1HA   GLY  53          1HA       GLY  53   6.114  -6.276 -10.698
  624   2HA   GLY  53          2HA       GLY  53   5.247  -5.927 -12.188
  625    H    ARG  54           H        ARG  54   6.596  -3.734  -9.741
  626    HA   ARG  54           HA       ARG  54   8.583  -2.794 -11.663
  627   1HB   ARG  54          1HB       ARG  54   6.520  -1.029 -10.336
  628   2HB   ARG  54          2HB       ARG  54   7.946  -0.427 -11.166
  629   1HG   ARG  54          1HG       ARG  54   5.785  -2.085 -12.448
  630   2HG   ARG  54          2HG       ARG  54   5.903  -0.327 -12.540
  631   1HD   ARG  54          1HD       ARG  54   7.959  -2.296 -13.542
  632   2HD   ARG  54          2HD       ARG  54   6.820  -1.396 -14.542
  633    HE   ARG  54           HE       ARG  54   8.285   0.433 -13.016
  634   1HH1  ARG  54          1HH1      ARG  54   8.778  -1.851 -15.600
  635   2HH1  ARG  54          2HH1      ARG  54  10.091  -0.967 -16.303
  636   1HH2  ARG  54          1HH2      ARG  54  10.011   1.604 -13.936
  637   2HH2  ARG  54          2HH2      ARG  54  10.792   0.996 -15.358
  638    H    THR  55           H        THR  55  10.453  -2.130 -10.745
  639    HA   THR  55           HA       THR  55  11.017  -2.822  -8.078
  640    HB   THR  55           HB       THR  55  13.195  -1.720  -8.424
  641    HG1  THR  55           HG1      THR  55  11.892  -0.749 -10.750
  642   1HG2  THR  55          1HG2      THR  55  13.760  -2.971 -10.627
  643   2HG2  THR  55          2HG2      THR  55  12.093  -3.540 -10.533
  644   3HG2  THR  55          3HG2      THR  55  13.222  -3.900  -9.227
  645    H    LEU  56           H        LEU  56  11.118  -1.680  -6.223
  646    HA   LEU  56           HA       LEU  56   9.570   0.620  -5.885
  647   1HB   LEU  56          1HB       LEU  56  11.768  -0.456  -4.118
  648   2HB   LEU  56          2HB       LEU  56  10.579   0.738  -3.634
  649    HG   LEU  56           HG       LEU  56   9.949  -2.101  -4.447
  650   1HD1  LEU  56          1HD1      LEU  56   9.432  -1.176  -1.705
  651   2HD1  LEU  56          2HD1      LEU  56  11.132  -1.363  -2.134
  652   3HD1  LEU  56          3HD1      LEU  56  10.028  -2.730  -2.291
  653   1HD2  LEU  56          1HD2      LEU  56   8.309   0.118  -4.504
  654   2HD2  LEU  56          2HD2      LEU  56   7.954  -0.620  -2.942
  655   3HD2  LEU  56          3HD2      LEU  56   7.784  -1.564  -4.422
  656    H    SER  57           H        SER  57  12.924   0.227  -6.695
  657    HA   SER  57           HA       SER  57  14.030   2.638  -5.950
  658   1HB   SER  57          1HB       SER  57  15.349   0.828  -6.930
  659   2HB   SER  57          2HB       SER  57  14.552   1.067  -8.485
  660    HG   SER  57           HG       SER  57  16.546   2.551  -7.259
  661    H    ASP  58           H        ASP  58  12.082   1.910  -8.810
  662    HA   ASP  58           HA       ASP  58  12.393   4.337 -10.158
  663   1HB   ASP  58          1HB       ASP  58  11.355   2.371 -11.187
  664   2HB   ASP  58          2HB       ASP  58   9.982   2.508 -10.092
  665    H    TYR  59           H        TYR  59  10.056   3.377  -7.676
  666    HA   TYR  59           HA       TYR  59   8.638   5.851  -7.715
  667   1HB   TYR  59          1HB       TYR  59   8.718   3.649  -5.642
  668   2HB   TYR  59          2HB       TYR  59   7.621   5.024  -5.591
  669    HD1  TYR  59           HD1      TYR  59   5.482   4.639  -6.332
  670    HD2  TYR  59           HD2      TYR  59   8.660   2.390  -8.050
  671    HE1  TYR  59           HE1      TYR  59   3.858   3.400  -7.699
  672    HE2  TYR  59           HE2      TYR  59   7.043   1.147  -9.424
  673    HH   TYR  59           HH       TYR  59   4.795   0.634  -9.613
  674    H    ASN  60           H        ASN  60  11.434   4.650  -6.030
  675    HA   ASN  60           HA       ASN  60  12.962   5.645  -4.674
  676   1HB   ASN  60          1HB       ASN  60  11.565   8.193  -5.524
  677   2HB   ASN  60          2HB       ASN  60  13.084   8.127  -4.636
  678   1HD2  ASN  60          1HD2      ASN  60  14.801   8.396  -5.843
  679   2HD2  ASN  60          2HD2      ASN  60  14.968   7.946  -7.503
  680    H    ILE  61           H        ILE  61  10.791   4.510  -3.462
  681    HA   ILE  61           HA       ILE  61   9.408   6.163  -1.648
  682    HB   ILE  61           HB       ILE  61  10.097   3.237  -1.333
  683   1HG1  ILE  61          1HG1      ILE  61   7.641   4.536  -2.538
  684   2HG1  ILE  61          2HG1      ILE  61   8.921   3.747  -3.454
  685   1HG2  ILE  61          1HG2      ILE  61   7.983   3.250   0.045
  686   2HG2  ILE  61          2HG2      ILE  61   8.074   5.011   0.017
  687   3HG2  ILE  61          3HG2      ILE  61   9.369   4.072   0.762
  688   1HD1  ILE  61          1HD1      ILE  61   8.159   1.825  -1.635
  689   2HD1  ILE  61          2HD1      ILE  61   7.676   1.915  -3.329
  690   3HD1  ILE  61          3HD1      ILE  61   6.642   2.606  -2.079
  691    H    GLN  62           H        GLN  62  10.003   7.086   0.205
  692    HA   GLN  62           HA       GLN  62  12.708   6.940   1.108
  693   1HB   GLN  62          1HB       GLN  62  10.287   8.255   2.354
  694   2HB   GLN  62          2HB       GLN  62  11.944   8.476   2.899
  695   1HG   GLN  62          1HG       GLN  62  12.529   9.457   0.746
  696   2HG   GLN  62          2HG       GLN  62  10.874   9.223   0.187
  697   1HE2  GLN  62          1HE2      GLN  62   9.773  11.034   0.186
  698   2HE2  GLN  62          2HE2      GLN  62   9.893  12.308   1.346
  699    H    LYS  63           H        LYS  63  13.538   6.064   2.988
  700    HA   LYS  63           HA       LYS  63  12.493   3.634   3.877
  701   1HB   LYS  63          1HB       LYS  63  14.181   3.774   5.676
  702   2HB   LYS  63          2HB       LYS  63  14.850   4.156   4.095
  703   1HG   LYS  63          1HG       LYS  63  14.723   6.538   4.613
  704   2HG   LYS  63          2HG       LYS  63  14.044   6.158   6.195
  705   1HD   LYS  63          1HD       LYS  63  16.382   6.609   6.466
  706   2HD   LYS  63          2HD       LYS  63  16.120   4.883   6.711
  707   1HE   LYS  63          1HE       LYS  63  17.034   6.091   4.105
  708   2HE   LYS  63          2HE       LYS  63  18.132   5.468   5.335
  709   1HZ   LYS  63          1HZ       LYS  63  17.921   3.564   4.210
  710   2HZ   LYS  63          2HZ       LYS  63  16.498   4.043   3.431
  711   3HZ   LYS  63          3HZ       LYS  63  16.432   3.413   5.000
  712    H    GLU  64           H        GLU  64  11.493   2.998   5.801
  713    HA   GLU  64           HA       GLU  64  10.007   3.117   7.517
  714   1HB   GLU  64          1HB       GLU  64  11.223   5.861   7.876
  715   2HB   GLU  64          2HB       GLU  64  10.118   5.108   9.016
  716   1HG   GLU  64          1HG       GLU  64  12.814   4.025   8.229
  717   2HG   GLU  64          2HG       GLU  64  12.454   4.914   9.709
  718    H    SER  65           H        SER  65   9.169   3.838   4.871
  719    HA   SER  65           HA       SER  65   7.289   6.029   5.221
  720   1HB   SER  65          1HB       SER  65   8.454   5.867   3.084
  721   2HB   SER  65          2HB       SER  65   7.826   4.237   2.840
  722    HG   SER  65           HG       SER  65   5.915   6.162   3.339
  723    H    THR  66           H        THR  66   5.156   5.833   5.542
  724    HA   THR  66           HA       THR  66   4.111   3.166   6.080
  725    HB   THR  66           HB       THR  66   2.808   5.865   6.510
  726    HG1  THR  66           HG1      THR  66   4.395   4.195   8.157
  727   1HG2  THR  66          1HG2      THR  66   1.610   3.384   6.421
  728   2HG2  THR  66          2HG2      THR  66   0.977   4.805   7.252
  729   3HG2  THR  66          3HG2      THR  66   1.926   3.614   8.141
  730    H    LEU  67           H        LEU  67   3.616   2.198   4.154
  731    HA   LEU  67           HA       LEU  67   2.290   3.653   2.045
  732   1HB   LEU  67          1HB       LEU  67   2.740   0.678   2.230
  733   2HB   LEU  67          2HB       LEU  67   2.393   1.610   0.787
  734    HG   LEU  67           HG       LEU  67   4.948   1.608   2.387
  735   1HD1  LEU  67          1HD1      LEU  67   5.098  -0.205   1.004
  736   2HD1  LEU  67          2HD1      LEU  67   5.733   1.054  -0.055
  737   3HD1  LEU  67          3HD1      LEU  67   4.064   0.511  -0.233
  738   1HD2  LEU  67          1HD2      LEU  67   4.120   3.886   1.440
  739   2HD2  LEU  67          2HD2      LEU  67   4.576   3.196  -0.118
  740   3HD2  LEU  67          3HD2      LEU  67   5.784   3.372   1.156
  741    H    HIS  68           H        HIS  68   0.167   3.744   1.644
  742    HA   HIS  68           HA       HIS  68  -1.674   2.652   3.547
  743   1HB   HIS  68          1HB       HIS  68  -1.976   4.295   1.046
  744   2HB   HIS  68          2HB       HIS  68  -3.381   3.640   1.881
  745    HD1  HIS  68           HD1      HIS  68  -0.270   5.399   3.218
  746    HD2  HIS  68           HD2      HIS  68  -4.412   5.682   3.300
  747    HE1  HIS  68           HE1      HIS  68  -0.788   7.315   4.766
  748    HE2  HIS  68           HE2      HIS  68  -3.296   7.362   4.915
  749    H    LEU  69           H        LEU  69  -2.718   0.785   3.469
  750    HA   LEU  69           HA       LEU  69  -2.773  -0.690   0.917
  751   1HB   LEU  69          1HB       LEU  69  -1.268  -1.699   2.597
  752   2HB   LEU  69          2HB       LEU  69  -2.605  -1.817   3.716
  753    HG   LEU  69           HG       LEU  69  -2.679  -3.210   1.053
  754   1HD1  LEU  69          1HD1      LEU  69  -0.612  -3.806   2.394
  755   2HD1  LEU  69          2HD1      LEU  69  -1.691  -5.140   1.985
  756   3HD1  LEU  69          3HD1      LEU  69  -1.710  -4.458   3.611
  757   1HD2  LEU  69          1HD2      LEU  69  -4.109  -3.461   3.674
  758   2HD2  LEU  69          2HD2      LEU  69  -4.107  -4.764   2.485
  759   3HD2  LEU  69          3HD2      LEU  69  -4.787  -3.190   2.070
  760    H    VAL  70           H        VAL  70  -4.707  -1.501   0.250
  761    HA   VAL  70           HA       VAL  70  -6.990  -1.219   2.088
  762    HB   VAL  70           HB       VAL  70  -7.097  -0.711  -0.888
  763   1HG1  VAL  70          1HG1      VAL  70  -9.314   0.254  -0.358
  764   2HG1  VAL  70          2HG1      VAL  70  -9.115  -0.288   1.313
  765   3HG1  VAL  70          3HG1      VAL  70  -9.204  -1.471   0.007
  766   1HG2  VAL  70          1HG2      VAL  70  -7.267   1.651  -0.375
  767   2HG2  VAL  70          2HG2      VAL  70  -5.753   1.001   0.258
  768   3HG2  VAL  70          3HG2      VAL  70  -7.104   1.311   1.349
  769    H    LEU  71           H        LEU  71  -7.452  -3.269   2.597
  770    HA   LEU  71           HA       LEU  71  -7.164  -5.391   0.666
  771   1HB   LEU  71          1HB       LEU  71  -7.974  -6.860   2.502
  772   2HB   LEU  71          2HB       LEU  71  -6.538  -5.939   2.896
  773    HG   LEU  71           HG       LEU  71  -9.256  -4.977   3.746
  774   1HD1  LEU  71          1HD1      LEU  71  -8.692  -6.093   5.952
  775   2HD1  LEU  71          2HD1      LEU  71  -7.515  -7.051   5.054
  776   3HD1  LEU  71          3HD1      LEU  71  -9.229  -7.155   4.651
  777   1HD2  LEU  71          1HD2      LEU  71  -6.498  -4.173   4.132
  778   2HD2  LEU  71          2HD2      LEU  71  -7.326  -4.436   5.667
  779   3HD2  LEU  71          3HD2      LEU  71  -7.989  -3.300   4.494
  780    H    ARG  72           H        ARG  72  -8.648  -6.004  -0.699
  781    HA   ARG  72           HA       ARG  72 -11.214  -4.861  -0.850
  782   1HB   ARG  72          1HB       ARG  72 -10.011  -5.749  -2.799
  783   2HB   ARG  72          2HB       ARG  72 -10.162  -7.377  -2.155
  784   1HG   ARG  72          1HG       ARG  72 -12.586  -7.247  -2.364
  785   2HG   ARG  72          2HG       ARG  72 -12.447  -5.602  -2.987
  786   1HD   ARG  72          1HD       ARG  72 -12.747  -7.206  -4.801
  787   2HD   ARG  72          2HD       ARG  72 -11.170  -6.424  -4.897
  788    HE   ARG  72           HE       ARG  72 -10.917  -8.822  -3.457
  789   1HH1  ARG  72          1HH1      ARG  72 -11.531  -7.695  -6.699
  790   2HH1  ARG  72          2HH1      ARG  72 -10.856  -9.100  -7.453
  791   1HH2  ARG  72          1HH2      ARG  72 -10.026 -10.674  -4.443
  792   2HH2  ARG  72          2HH2      ARG  72 -10.002 -10.794  -6.171
  793    H    LEU  73           H        LEU  73 -13.221  -5.573  -0.258
  794    HA   LEU  73           HA       LEU  73 -13.756  -8.205   0.669
  795   1HB   LEU  73          1HB       LEU  73 -14.093  -7.839   2.991
  796   2HB   LEU  73          2HB       LEU  73 -12.482  -7.268   2.611
  797    HG   LEU  73           HG       LEU  73 -14.902  -5.502   2.993
  798   1HD1  LEU  73          1HD1      LEU  73 -12.530  -5.703   4.815
  799   2HD1  LEU  73          2HD1      LEU  73 -13.946  -6.735   5.019
  800   3HD1  LEU  73          3HD1      LEU  73 -14.109  -4.982   5.125
  801   1HD2  LEU  73          1HD2      LEU  73 -13.700  -3.958   1.938
  802   2HD2  LEU  73          2HD2      LEU  73 -12.296  -5.023   1.850
  803   3HD2  LEU  73          3HD2      LEU  73 -12.559  -4.028   3.282
  804    H    ARG  74           H        ARG  74 -15.884  -8.615   0.514
  805    HA   ARG  74           HA       ARG  74 -17.612  -6.629  -0.544
  806   1HB   ARG  74          1HB       ARG  74 -18.267  -9.380   0.525
  807   2HB   ARG  74          2HB       ARG  74 -19.345  -8.378  -0.437
  808   1HG   ARG  74          1HG       ARG  74 -16.693  -9.483  -1.346
  809   2HG   ARG  74          2HG       ARG  74 -18.282 -10.116  -1.779
  810   1HD   ARG  74          1HD       ARG  74 -18.833  -8.006  -2.876
  811   2HD   ARG  74          2HD       ARG  74 -17.265  -7.346  -2.414
  812    HE   ARG  74           HE       ARG  74 -17.798  -8.918  -4.678
  813   1HH1  ARG  74          1HH1      ARG  74 -15.427  -8.601  -2.136
  814   2HH1  ARG  74          2HH1      ARG  74 -14.132  -9.239  -3.094
  815   1HH2  ARG  74          1HH2      ARG  74 -16.097  -9.755  -5.938
  816   2HH2  ARG  74          2HH2      ARG  74 -14.513  -9.893  -5.252
  817    H    GLY  75           H        GLY  75 -17.395  -8.218   2.620
  818   1HA   GLY  75          1HA       GLY  75 -18.020  -7.391   4.693
  819   2HA   GLY  75          2HA       GLY  75 -18.572  -5.923   3.903
  820    H    GLY  76           H        GLY  76 -20.417  -7.058   2.099
  821   1HA   GLY  76          1HA       GLY  76 -22.589  -7.789   1.969
  822   2HA   GLY  76          2HA       GLY  76 -22.245  -8.817   3.352
  Start of MODEL   14
    1   1H    TYR 255          1H        TYR 255  26.004  -1.741  -0.568
    2   2H    TYR 255          2H        TYR 255  26.649  -1.606  -2.125
    3   3H    TYR 255          3H        TYR 255  27.076  -2.916  -1.145
    4    HA   TYR 255           HA       TYR 255  25.207  -3.024  -3.030
    5   1HB   TYR 255          1HB       TYR 255  24.366  -5.023  -1.650
    6   2HB   TYR 255          2HB       TYR 255  26.073  -4.986  -2.070
    7    HD1  TYR 255           HD1      TYR 255  24.051  -3.460   0.701
    8    HD2  TYR 255           HD2      TYR 255  27.358  -5.899  -0.400
    9    HE1  TYR 255           HE1      TYR 255  24.647  -3.711   3.072
   10    HE2  TYR 255           HE2      TYR 255  27.962  -6.158   1.968
   11    HH   TYR 255           HH       TYR 255  27.633  -5.112   4.079
   12    HA   PRO 256           HA       PRO 256  22.091  -0.705  -0.256
   13   1HB   PRO 256          1HB       PRO 256  21.774   1.518  -1.775
   14   2HB   PRO 256          2HB       PRO 256  22.997   1.397  -0.504
   15   1HG   PRO 256          1HG       PRO 256  23.299   1.028  -3.462
   16   2HG   PRO 256          2HG       PRO 256  24.336   1.926  -2.338
   17   1HD   PRO 256          1HD       PRO 256  24.954  -0.559  -3.191
   18   2HD   PRO 256          2HD       PRO 256  25.367   0.011  -1.561
   19    H    GLU 257           H        GLU 257  20.451   0.968  -2.132
   20    HA   GLU 257           HA       GLU 257  18.553   0.723  -3.352
   21   1HB   GLU 257          1HB       GLU 257  20.202  -1.387  -4.756
   22   2HB   GLU 257          2HB       GLU 257  18.722  -0.670  -5.379
   23   1HG   GLU 257          1HG       GLU 257  19.802   1.519  -5.434
   24   2HG   GLU 257          2HG       GLU 257  21.284   0.803  -4.805
   25    H    ASP 258           H        ASP 258  18.547  -0.634  -0.925
   26    HA   ASP 258           HA       ASP 258  17.552  -3.308  -1.285
   27   1HB   ASP 258          1HB       ASP 258  17.094  -3.209   1.147
   28   2HB   ASP 258          2HB       ASP 258  18.749  -2.753   0.754
   29    H    GLU 259           H        GLU 259  16.186  -0.702  -2.345
   30    HA   GLU 259           HA       GLU 259  13.695  -0.435  -1.114
   31   1HB   GLU 259          1HB       GLU 259  14.543   1.178  -2.739
   32   2HB   GLU 259          2HB       GLU 259  14.452  -0.030  -4.013
   33   1HG   GLU 259          1HG       GLU 259  12.026  -0.122  -3.746
   34   2HG   GLU 259          2HG       GLU 259  12.124   1.105  -2.484
   35    H    GLU 260           H        GLU 260  14.739  -2.535  -3.767
   36    HA   GLU 260           HA       GLU 260  12.233  -3.660  -4.347
   37   1HB   GLU 260          1HB       GLU 260  14.978  -4.890  -4.661
   38   2HB   GLU 260          2HB       GLU 260  13.507  -5.462  -5.437
   39   1HG   GLU 260          1HG       GLU 260  14.817  -2.788  -5.875
   40   2HG   GLU 260          2HG       GLU 260  14.865  -4.166  -6.973
   41    H    GLU 261           H        GLU 261  14.709  -4.523  -1.998
   42    HA   GLU 261           HA       GLU 261  13.735  -7.027  -1.230
   43   1HB   GLU 261          1HB       GLU 261  15.942  -6.145  -0.578
   44   2HB   GLU 261          2HB       GLU 261  15.159  -4.969   0.468
   45   1HG   GLU 261          1HG       GLU 261  16.005  -6.817   1.766
   46   2HG   GLU 261          2HG       GLU 261  14.243  -6.793   1.821
   47    H    LEU 262           H        LEU 262  13.060  -3.816   0.161
   48    HA   LEU 262           HA       LEU 262  11.249  -4.742   2.118
   49   1HB   LEU 262          1HB       LEU 262  11.751  -2.058   0.876
   50   2HB   LEU 262          2HB       LEU 262  10.436  -2.288   2.010
   51    HG   LEU 262           HG       LEU 262  12.399  -1.365   3.118
   52   1HD1  LEU 262          1HD1      LEU 262  11.488  -4.118   3.837
   53   2HD1  LEU 262          2HD1      LEU 262  11.133  -2.578   4.620
   54   3HD1  LEU 262          3HD1      LEU 262  12.728  -3.312   4.797
   55   1HD2  LEU 262          1HD2      LEU 262  14.467  -2.581   3.308
   56   2HD2  LEU 262          2HD2      LEU 262  14.086  -2.355   1.601
   57   3HD2  LEU 262          3HD2      LEU 262  13.809  -3.920   2.367
   58    H    ILE 263           H        ILE 263  10.753  -3.477  -1.156
   59    HA   ILE 263           HA       ILE 263   7.970  -3.380  -1.140
   60    HB   ILE 263           HB       ILE 263   9.970  -3.747  -3.328
   61   1HG1  ILE 263          1HG1      ILE 263   7.989  -1.555  -2.715
   62   2HG1  ILE 263          2HG1      ILE 263   9.700  -1.530  -2.304
   63   1HG2  ILE 263          1HG2      ILE 263   8.050  -3.431  -4.941
   64   2HG2  ILE 263          2HG2      ILE 263   6.981  -3.854  -3.605
   65   3HG2  ILE 263          3HG2      ILE 263   8.171  -5.019  -4.183
   66   1HD1  ILE 263          1HD1      ILE 263   8.402  -1.304  -4.985
   67   2HD1  ILE 263          2HD1      ILE 263  10.083  -1.818  -4.833
   68   3HD1  ILE 263          3HD1      ILE 263   9.583  -0.241  -4.219
   69    H    ARG 264           H        ARG 264  10.039  -6.045  -2.361
   70    HA   ARG 264           HA       ARG 264   7.886  -7.778  -2.881
   71   1HB   ARG 264          1HB       ARG 264   9.522  -9.566  -3.009
   72   2HB   ARG 264          2HB       ARG 264  10.095  -8.137  -3.857
   73   1HG   ARG 264          1HG       ARG 264  11.538  -7.581  -1.980
   74   2HG   ARG 264          2HG       ARG 264  10.940  -8.985  -1.094
   75   1HD   ARG 264          1HD       ARG 264  13.069  -9.530  -2.063
   76   2HD   ARG 264          2HD       ARG 264  11.815 -10.439  -2.903
   77    HE   ARG 264           HE       ARG 264  13.506  -8.369  -4.000
   78   1HH1  ARG 264          1HH1      ARG 264  10.617 -10.284  -4.418
   79   2HH1  ARG 264          2HH1      ARG 264  10.496  -9.956  -6.114
   80   1HH2  ARG 264          1HH2      ARG 264  13.348  -7.941  -6.229
   81   2HH2  ARG 264          2HH2      ARG 264  12.046  -8.628  -7.141
   82    H    LYS 265           H        LYS 265   9.801  -7.210   0.017
   83    HA   LYS 265           HA       LYS 265   9.020  -9.406   1.547
   84   1HB   LYS 265          1HB       LYS 265  10.718  -7.814   2.306
   85   2HB   LYS 265          2HB       LYS 265   9.503  -6.547   2.421
   86   1HG   LYS 265          1HG       LYS 265   8.365  -7.808   4.185
   87   2HG   LYS 265          2HG       LYS 265   9.607  -9.057   4.082
   88   1HD   LYS 265          1HD       LYS 265  10.188  -6.167   4.717
   89   2HD   LYS 265          2HD       LYS 265   9.907  -7.399   5.947
   90   1HE   LYS 265          1HE       LYS 265  12.273  -7.121   5.658
   91   2HE   LYS 265          2HE       LYS 265  11.806  -8.693   5.015
   92   1HZ   LYS 265          1HZ       LYS 265  12.107  -7.982   2.845
   93   2HZ   LYS 265          2HZ       LYS 265  13.391  -7.237   3.655
   94   3HZ   LYS 265          3HZ       LYS 265  12.016  -6.341   3.246
   95    H    ALA 266           H        ALA 266   7.497  -6.254   1.091
   96    HA   ALA 266           HA       ALA 266   5.227  -6.721   2.705
   97   1HB   ALA 266          1HB       ALA 266   5.096  -4.941   0.309
   98   2HB   ALA 266          2HB       ALA 266   6.166  -4.511   1.643
   99   3HB   ALA 266          3HB       ALA 266   4.435  -4.700   1.926
  100    H    ILE 267           H        ILE 267   6.059  -7.401  -0.622
  101    HA   ILE 267           HA       ILE 267   3.505  -8.101  -1.558
  102    HB   ILE 267           HB       ILE 267   6.214  -9.039  -2.490
  103   1HG1  ILE 267          1HG1      ILE 267   4.337  -6.891  -3.503
  104   2HG1  ILE 267          2HG1      ILE 267   5.876  -6.627  -2.694
  105   1HG2  ILE 267          1HG2      ILE 267   5.042  -9.667  -4.581
  106   2HG2  ILE 267          2HG2      ILE 267   3.505  -9.354  -3.776
  107   3HG2  ILE 267          3HG2      ILE 267   4.559 -10.642  -3.194
  108   1HD1  ILE 267          1HD1      ILE 267   6.800  -6.537  -4.703
  109   2HD1  ILE 267          2HD1      ILE 267   5.316  -7.096  -5.476
  110   3HD1  ILE 267          3HD1      ILE 267   6.482  -8.265  -4.856
  111    H    GLU 268           H        GLU 268   6.040  -9.968   0.034
  112    HA   GLU 268           HA       GLU 268   4.845 -12.505  -0.267
  113   1HB   GLU 268          1HB       GLU 268   7.208 -12.221   0.321
  114   2HB   GLU 268          2HB       GLU 268   6.747 -11.512   1.861
  115   1HG   GLU 268          1HG       GLU 268   5.713 -13.627   2.523
  116   2HG   GLU 268          2HG       GLU 268   6.185 -14.336   0.980
  117    H    LEU 269           H        LEU 269   4.847 -10.218   2.469
  118    HA   LEU 269           HA       LEU 269   3.174 -11.709   4.156
  119   1HB   LEU 269          1HB       LEU 269   3.477  -8.712   3.951
  120   2HB   LEU 269          2HB       LEU 269   2.698  -9.553   5.276
  121    HG   LEU 269           HG       LEU 269   5.614  -9.774   4.529
  122   1HD1  LEU 269          1HD1      LEU 269   5.267  -8.795   7.131
  123   2HD1  LEU 269          2HD1      LEU 269   4.145  -7.886   6.116
  124   3HD1  LEU 269          3HD1      LEU 269   5.864  -7.919   5.722
  125   1HD2  LEU 269          1HD2      LEU 269   5.618 -10.870   6.879
  126   2HD2  LEU 269          2HD2      LEU 269   5.127 -11.829   5.483
  127   3HD2  LEU 269          3HD2      LEU 269   3.906 -11.155   6.562
  128    H    SER 270           H        SER 270   2.429  -9.256   1.731
  129    HA   SER 270           HA       SER 270  -0.311  -9.033   2.174
  130   1HB   SER 270          1HB       SER 270   0.965  -7.487   0.750
  131   2HB   SER 270          2HB       SER 270   1.195  -8.769  -0.440
  132    HG   SER 270           HG       SER 270  -1.203  -7.472   0.307
  133    H    LEU 271           H        LEU 271   1.476 -11.240   0.039
  134    HA   LEU 271           HA       LEU 271  -0.748 -12.495  -1.124
  135   1HB   LEU 271          1HB       LEU 271   2.034 -13.535  -0.593
  136   2HB   LEU 271          2HB       LEU 271   0.841 -14.393  -1.548
  137    HG   LEU 271           HG       LEU 271   1.939 -11.661  -2.224
  138   1HD1  LEU 271          1HD1      LEU 271   2.588 -14.377  -3.359
  139   2HD1  LEU 271          2HD1      LEU 271   3.670 -13.341  -2.428
  140   3HD1  LEU 271          3HD1      LEU 271   3.127 -12.837  -4.029
  141   1HD2  LEU 271          1HD2      LEU 271  -0.148 -11.748  -3.230
  142   2HD2  LEU 271          2HD2      LEU 271  -0.049 -13.485  -3.518
  143   3HD2  LEU 271          3HD2      LEU 271   0.915 -12.374  -4.490
  144    H    LYS 272           H        LYS 272   1.102 -13.264   1.796
  145    HA   LYS 272           HA       LYS 272  -0.132 -15.685   2.440
  146   1HB   LYS 272          1HB       LYS 272   0.994 -13.581   4.297
  147   2HB   LYS 272          2HB       LYS 272   0.631 -15.241   4.751
  148   1HG   LYS 272          1HG       LYS 272   2.636 -14.419   2.659
  149   2HG   LYS 272          2HG       LYS 272   3.021 -14.869   4.321
  150   1HD   LYS 272          1HD       LYS 272   2.116 -17.096   3.947
  151   2HD   LYS 272          2HD       LYS 272   1.657 -16.650   2.302
  152   1HE   LYS 272          1HE       LYS 272   3.747 -17.943   2.366
  153   2HE   LYS 272          2HE       LYS 272   3.984 -16.324   1.710
  154   1HZ   LYS 272          1HZ       LYS 272   4.989 -15.608   3.695
  155   2HZ   LYS 272          2HZ       LYS 272   5.688 -17.111   3.360
  156   3HZ   LYS 272          3HZ       LYS 272   4.495 -16.982   4.552
  157    H    GLU 273           H        GLU 273  -1.021 -12.372   3.349
  158    HA   GLU 273           HA       GLU 273  -3.155 -13.011   5.047
  159   1HB   GLU 273          1HB       GLU 273  -2.153 -10.776   4.929
  160   2HB   GLU 273          2HB       GLU 273  -2.789 -10.569   3.304
  161   1HG   GLU 273          1HG       GLU 273  -5.067 -10.702   4.179
  162   2HG   GLU 273          2HG       GLU 273  -4.425 -10.903   5.809
  163    H    SER 274           H        SER 274  -3.067 -12.433   1.556
  164    HA   SER 274           HA       SER 274  -5.903 -12.777   1.244
  165   1HB   SER 274          1HB       SER 274  -3.680 -12.656  -0.807
  166   2HB   SER 274          2HB       SER 274  -5.401 -12.662  -1.187
  167    HG   SER 274           HG       SER 274  -5.497 -10.625  -0.692
  168    H    ARG 275           H        ARG 275  -5.171 -14.973   2.580
  169    HA   ARG 275           HA       ARG 275  -4.314 -17.188   1.101
  170   1HB   ARG 275          1HB       ARG 275  -4.501 -17.060   3.598
  171   2HB   ARG 275          2HB       ARG 275  -6.244 -17.210   3.431
  172   1HG   ARG 275          1HG       ARG 275  -4.365 -19.277   2.337
  173   2HG   ARG 275          2HG       ARG 275  -4.922 -19.308   4.009
  174   1HD   ARG 275          1HD       ARG 275  -7.234 -19.422   3.250
  175   2HD   ARG 275          2HD       ARG 275  -6.701 -19.339   1.572
  176    HE   ARG 275           HE       ARG 275  -6.852 -21.657   3.158
  177   1HH1  ARG 275          1HH1      ARG 275  -4.759 -20.117   0.831
  178   2HH1  ARG 275          2HH1      ARG 275  -4.084 -21.607   0.262
  179   1HH2  ARG 275          1HH2      ARG 275  -5.963 -23.619   2.416
  180   2HH2  ARG 275          2HH2      ARG 275  -4.764 -23.596   1.166
  181    H    ASN 276           H        ASN 276  -7.605 -16.039   1.805
  182    HA   ASN 276           HA       ASN 276  -8.946 -18.055   0.363
  183   1HB   ASN 276          1HB       ASN 276  -9.826 -15.240   1.036
  184   2HB   ASN 276          2HB       ASN 276 -10.887 -16.506   0.429
  185   1HD2  ASN 276          1HD2      ASN 276  -8.721 -18.077   2.300
  186   2HD2  ASN 276          2HD2      ASN 276  -9.561 -18.059   3.807
  187    H    SER 277           H        SER 277  -7.925 -14.781  -0.544
  188    HA   SER 277           HA       SER 277  -8.886 -15.067  -3.245
  189   1HB   SER 277          1HB       SER 277  -7.130 -12.939  -1.998
  190   2HB   SER 277          2HB       SER 277  -7.860 -12.851  -3.600
  191    HG   SER 277           HG       SER 277  -9.164 -12.885  -1.087
  192    H    ALA 278           H        ALA 278  -7.165 -17.153  -2.640
  193    HA   ALA 278           HA       ALA 278  -4.484 -16.781  -3.341
  194   1HB   ALA 278          1HB       ALA 278  -5.823 -19.322  -4.099
  195   2HB   ALA 278          2HB       ALA 278  -5.820 -18.861  -2.396
  196   3HB   ALA 278          3HB       ALA 278  -4.295 -19.052  -3.261
  197   1H    MET   1          1H        MET   1 -15.015   3.728   2.953
  198   2H    MET   1          2H        MET   1 -15.852   3.110   4.286
  199   3H    MET   1          3H        MET   1 -16.116   2.459   2.748
  200    HA   MET   1           HA       MET   1 -14.738   0.973   4.013
  201   1HB   MET   1          1HB       MET   1 -14.370   1.131   1.612
  202   2HB   MET   1          2HB       MET   1 -13.285   2.495   1.841
  203   1HG   MET   1          1HG       MET   1 -11.766   1.012   3.114
  204   2HG   MET   1          2HG       MET   1 -12.825  -0.342   2.724
  205   1HE   MET   1          1HE       MET   1 -13.671   0.464  -0.331
  206   2HE   MET   1          2HE       MET   1 -13.321  -1.150   0.286
  207   3HE   MET   1          3HE       MET   1 -12.498  -0.560  -1.158
  208    H    GLN   2           H        GLN   2 -13.322   0.703   5.624
  209    HA   GLN   2           HA       GLN   2 -11.601   2.978   6.360
  210   1HB   GLN   2          1HB       GLN   2 -12.963   0.988   8.186
  211   2HB   GLN   2          2HB       GLN   2 -11.797   2.192   8.715
  212   1HG   GLN   2          1HG       GLN   2 -13.878   3.110   9.219
  213   2HG   GLN   2          2HG       GLN   2 -13.371   3.928   7.745
  214   1HE2  GLN   2          1HE2      GLN   2 -14.292   0.736   7.162
  215   2HE2  GLN   2          2HE2      GLN   2 -15.896   1.040   6.602
  216    H    ILE   3           H        ILE   3 -10.032   1.947   4.918
  217    HA   ILE   3           HA       ILE   3  -8.904  -0.585   5.795
  218    HB   ILE   3           HB       ILE   3  -7.351  -0.301   3.885
  219   1HG1  ILE   3          1HG1      ILE   3  -8.975   2.194   3.336
  220   2HG1  ILE   3          2HG1      ILE   3  -7.301   2.170   3.882
  221   1HG2  ILE   3          1HG2      ILE   3 -10.163   0.134   2.946
  222   2HG2  ILE   3          2HG2      ILE   3  -9.675  -1.346   3.771
  223   3HG2  ILE   3          3HG2      ILE   3  -8.911  -0.891   2.247
  224   1HD1  ILE   3          1HD1      ILE   3  -7.634   2.582   1.440
  225   2HD1  ILE   3          2HD1      ILE   3  -8.213   0.922   1.307
  226   3HD1  ILE   3          3HD1      ILE   3  -6.560   1.239   1.833
  227    H    PHE   4           H        PHE   4  -6.854  -0.871   6.649
  228    HA   PHE   4           HA       PHE   4  -5.660   1.560   7.770
  229   1HB   PHE   4          1HB       PHE   4  -5.622  -1.312   8.632
  230   2HB   PHE   4          2HB       PHE   4  -4.387  -0.193   9.200
  231    HD1  PHE   4           HD1      PHE   4  -8.070  -0.686   9.049
  232    HD2  PHE   4           HD2      PHE   4  -4.788   1.194  11.001
  233    HE1  PHE   4           HE1      PHE   4  -9.584   0.118  10.816
  234    HE2  PHE   4           HE2      PHE   4  -6.290   2.003  12.767
  235    HZ   PHE   4           HZ       PHE   4  -8.694   1.461  12.681
  236    H    VAL   5           H        VAL   5  -3.753   2.282   7.144
  237    HA   VAL   5           HA       VAL   5  -2.269   0.830   5.116
  238    HB   VAL   5           HB       VAL   5  -1.726   3.545   6.337
  239   1HG1  VAL   5          1HG1      VAL   5  -0.511   2.109   3.985
  240   2HG1  VAL   5          2HG1      VAL   5   0.304   2.698   5.434
  241   3HG1  VAL   5          3HG1      VAL   5  -0.342   3.843   4.259
  242   1HG2  VAL   5          1HG2      VAL   5  -3.303   2.672   3.944
  243   2HG2  VAL   5          2HG2      VAL   5  -2.544   4.263   3.992
  244   3HG2  VAL   5          3HG2      VAL   5  -3.741   3.820   5.209
  245    H    LYS   6           H        LYS   6  -0.403  -0.249   5.456
  246    HA   LYS   6           HA       LYS   6   0.738  -0.149   8.167
  247   1HB   LYS   6          1HB       LYS   6  -0.273  -2.313   7.546
  248   2HB   LYS   6          2HB       LYS   6   0.823  -2.421   6.175
  249   1HG   LYS   6          1HG       LYS   6   2.730  -2.465   7.707
  250   2HG   LYS   6          2HG       LYS   6   1.622  -2.376   9.078
  251   1HD   LYS   6          1HD       LYS   6   0.600  -4.496   8.371
  252   2HD   LYS   6          2HD       LYS   6   1.735  -4.584   7.023
  253   1HE   LYS   6          1HE       LYS   6   3.602  -4.629   8.620
  254   2HE   LYS   6          2HE       LYS   6   2.450  -4.583   9.954
  255   1HZ   LYS   6          1HZ       LYS   6   2.038  -6.690   8.000
  256   2HZ   LYS   6          2HZ       LYS   6   1.922  -6.738   9.687
  257   3HZ   LYS   6          3HZ       LYS   6   3.437  -6.833   8.942
  258    H    THR   7           H        THR   7   2.723   0.585   8.394
  259    HA   THR   7           HA       THR   7   4.323   1.184   6.043
  260    HB   THR   7           HB       THR   7   5.795   2.399   7.602
  261    HG1  THR   7           HG1      THR   7   4.839   0.839   9.408
  262   1HG2  THR   7          1HG2      THR   7   3.982   4.017   8.462
  263   2HG2  THR   7          2HG2      THR   7   2.844   2.949   7.641
  264   3HG2  THR   7          3HG2      THR   7   4.111   3.760   6.721
  265    H    LEU   8           H        LEU   8   6.521   0.571   5.817
  266    HA   LEU   8           HA       LEU   8   7.112  -2.097   6.133
  267   1HB   LEU   8          1HB       LEU   8   9.040   0.221   6.004
  268   2HB   LEU   8          2HB       LEU   8   9.485  -1.458   5.772
  269    HG   LEU   8           HG       LEU   8   7.612   0.121   4.005
  270   1HD1  LEU   8          1HD1      LEU   8  10.506  -0.298   4.017
  271   2HD1  LEU   8          2HD1      LEU   8   9.536   0.926   3.196
  272   3HD1  LEU   8          3HD1      LEU   8   9.728  -0.674   2.480
  273   1HD2  LEU   8          1HD2      LEU   8   7.814  -2.657   4.380
  274   2HD2  LEU   8          2HD2      LEU   8   8.631  -2.299   2.859
  275   3HD2  LEU   8          3HD2      LEU   8   6.958  -1.797   3.100
  276    H    THR   9           H        THR   9   7.901   0.580   8.307
  277    HA   THR   9           HA       THR   9   9.530  -0.845  10.089
  278    HB   THR   9           HB       THR   9   9.025   0.923  11.727
  279    HG1  THR   9           HG1      THR   9   6.939   1.483  11.458
  280   1HG2  THR   9          1HG2      THR   9  10.426   2.301  10.659
  281   2HG2  THR   9          2HG2      THR   9   9.253   2.625   9.383
  282   3HG2  THR   9          3HG2      THR   9  10.296   1.207   9.282
  283    H    GLY  10           H        GLY  10   6.031  -0.150  10.244
  284   1HA   GLY  10          1HA       GLY  10   4.795  -2.285  10.948
  285   2HA   GLY  10          2HA       GLY  10   5.819  -2.180  12.371
  286    H    LYS  11           H        LYS  11   3.533  -0.172  10.494
  287    HA   LYS  11           HA       LYS  11   2.164   0.505  12.969
  288   1HB   LYS  11          1HB       LYS  11   3.919   2.218  12.763
  289   2HB   LYS  11          2HB       LYS  11   3.329   2.629  11.161
  290   1HG   LYS  11          1HG       LYS  11   2.547   4.253  12.750
  291   2HG   LYS  11          2HG       LYS  11   1.180   3.310  12.155
  292   1HD   LYS  11          1HD       LYS  11   1.219   1.951  14.172
  293   2HD   LYS  11          2HD       LYS  11   2.617   2.849  14.766
  294   1HE   LYS  11          1HE       LYS  11   1.264   4.906  14.765
  295   2HE   LYS  11          2HE       LYS  11  -0.130   3.972  14.225
  296   1HZ   LYS  11          1HZ       LYS  11  -0.328   4.203  16.547
  297   2HZ   LYS  11          2HZ       LYS  11   1.286   3.779  16.819
  298   3HZ   LYS  11          3HZ       LYS  11   0.183   2.610  16.293
  299    H    THR  12           H        THR  12   0.044   0.528  12.667
  300    HA   THR  12           HA       THR  12  -0.993   0.655   9.924
  301    HB   THR  12           HB       THR  12  -3.067  -0.330  10.918
  302    HG1  THR  12           HG1      THR  12  -1.399  -0.602  13.212
  303   1HG2  THR  12          1HG2      THR  12  -0.432  -1.695  10.842
  304   2HG2  THR  12          2HG2      THR  12  -1.886  -1.989   9.888
  305   3HG2  THR  12          3HG2      THR  12  -1.788  -2.574  11.549
  306    H    ILE  13           H        ILE  13  -2.518   2.145   9.328
  307    HA   ILE  13           HA       ILE  13  -3.476   4.007  11.399
  308    HB   ILE  13           HB       ILE  13  -2.411   4.821   8.694
  309   1HG1  ILE  13          1HG1      ILE  13  -0.629   4.277  10.295
  310   2HG1  ILE  13          2HG1      ILE  13  -0.676   6.003   9.960
  311   1HG2  ILE  13          1HG2      ILE  13  -3.823   6.533   8.910
  312   2HG2  ILE  13          2HG2      ILE  13  -2.765   7.096  10.206
  313   3HG2  ILE  13          3HG2      ILE  13  -4.188   6.123  10.589
  314   1HD1  ILE  13          1HD1      ILE  13  -2.300   5.736  12.169
  315   2HD1  ILE  13          2HD1      ILE  13  -0.621   6.279  12.162
  316   3HD1  ILE  13          3HD1      ILE  13  -1.000   4.582  12.462
  317    H    THR  14           H        THR  14  -5.563   4.624  11.230
  318    HA   THR  14           HA       THR  14  -7.346   3.224   9.555
  319    HB   THR  14           HB       THR  14  -7.848   5.848  10.983
  320    HG1  THR  14           HG1      THR  14  -7.194   4.306  12.486
  321   1HG2  THR  14          1HG2      THR  14 -10.094   5.540  10.650
  322   2HG2  THR  14          2HG2      THR  14  -9.947   3.786  10.527
  323   3HG2  THR  14          3HG2      THR  14  -9.472   4.809   9.170
  324    H    LEU  15           H        LEU  15  -8.160   3.688   7.545
  325    HA   LEU  15           HA       LEU  15  -7.737   6.366   6.461
  326   1HB   LEU  15          1HB       LEU  15  -5.741   5.131   5.819
  327   2HB   LEU  15          2HB       LEU  15  -6.725   3.847   5.141
  328    HG   LEU  15           HG       LEU  15  -7.575   5.420   3.438
  329   1HD1  LEU  15          1HD1      LEU  15  -7.247   7.617   3.530
  330   2HD1  LEU  15          2HD1      LEU  15  -5.514   7.418   3.788
  331   3HD1  LEU  15          3HD1      LEU  15  -6.622   7.370   5.159
  332   1HD2  LEU  15          1HD2      LEU  15  -5.883   4.875   2.088
  333   2HD2  LEU  15          2HD2      LEU  15  -5.162   4.130   3.515
  334   3HD2  LEU  15          3HD2      LEU  15  -4.709   5.770   3.053
  335    H    GLU  16           H        GLU  16  -9.673   6.986   5.840
  336    HA   GLU  16           HA       GLU  16 -11.628   5.040   4.903
  337   1HB   GLU  16          1HB       GLU  16 -12.221   6.788   6.594
  338   2HB   GLU  16          2HB       GLU  16 -11.956   8.012   5.363
  339   1HG   GLU  16          1HG       GLU  16 -13.887   5.818   4.810
  340   2HG   GLU  16          2HG       GLU  16 -14.356   7.108   5.912
  341    H    VAL  17           H        VAL  17 -12.136   4.750   2.815
  342    HA   VAL  17           HA       VAL  17 -11.670   6.874   0.881
  343    HB   VAL  17           HB       VAL  17 -10.429   5.349  -0.665
  344   1HG1  VAL  17          1HG1      VAL  17  -9.217   7.062   0.511
  345   2HG1  VAL  17          2HG1      VAL  17  -8.243   5.592   0.480
  346   3HG1  VAL  17          3HG1      VAL  17  -9.103   6.049   1.950
  347   1HG2  VAL  17          1HG2      VAL  17 -11.154   3.305   0.780
  348   2HG2  VAL  17          2HG2      VAL  17  -9.696   3.680   1.699
  349   3HG2  VAL  17          3HG2      VAL  17  -9.582   3.304  -0.020
  350    H    GLU  18           H        GLU  18 -13.185   6.903  -0.643
  351    HA   GLU  18           HA       GLU  18 -15.256   4.912  -0.634
  352   1HB   GLU  18          1HB       GLU  18 -14.858   7.300  -2.449
  353   2HB   GLU  18          2HB       GLU  18 -16.323   6.334  -2.331
  354   1HG   GLU  18          1HG       GLU  18 -15.121   7.981  -0.117
  355   2HG   GLU  18          2HG       GLU  18 -16.515   8.429  -1.099
  356    H    SER  19           H        SER  19 -15.758   3.437  -2.218
  357    HA   SER  19           HA       SER  19 -13.714   2.210  -3.624
  358   1HB   SER  19          1HB       SER  19 -16.671   2.153  -4.269
  359   2HB   SER  19          2HB       SER  19 -15.474   0.985  -4.826
  360    HG   SER  19           HG       SER  19 -15.166   0.329  -2.712
  361    H    SER  20           H        SER  20 -15.948   4.721  -4.677
  362    HA   SER  20           HA       SER  20 -15.421   4.680  -7.413
  363   1HB   SER  20          1HB       SER  20 -16.218   7.017  -7.424
  364   2HB   SER  20          2HB       SER  20 -17.252   5.982  -6.439
  365    HG   SER  20           HG       SER  20 -16.679   7.047  -4.706
  366    H    ASP  21           H        ASP  21 -13.768   6.447  -4.814
  367    HA   ASP  21           HA       ASP  21 -11.962   7.847  -6.458
  368   1HB   ASP  21          1HB       ASP  21 -11.664   6.967  -3.578
  369   2HB   ASP  21          2HB       ASP  21 -10.635   8.146  -4.386
  370    H    THR  22           H        THR  22 -10.141   7.261  -7.464
  371    HA   THR  22           HA       THR  22  -9.403   4.511  -7.606
  372    HB   THR  22           HB       THR  22  -7.584   5.278  -9.083
  373    HG1  THR  22           HG1      THR  22  -7.010   7.338  -9.155
  374   1HG2  THR  22          1HG2      THR  22  -8.977   6.226 -10.839
  375   2HG2  THR  22          2HG2      THR  22 -10.209   6.660  -9.654
  376   3HG2  THR  22          3HG2      THR  22  -9.858   4.963  -9.981
  377    H    ILE  23           H        ILE  23  -6.542   4.864  -7.822
  378    HA   ILE  23           HA       ILE  23  -5.858   4.476  -5.057
  379    HB   ILE  23           HB       ILE  23  -4.158   4.436  -7.550
  380   1HG1  ILE  23          1HG1      ILE  23  -5.796   2.604  -7.358
  381   2HG1  ILE  23          2HG1      ILE  23  -4.145   2.013  -7.211
  382   1HG2  ILE  23          1HG2      ILE  23  -3.380   4.586  -4.782
  383   2HG2  ILE  23          2HG2      ILE  23  -2.378   4.618  -6.234
  384   3HG2  ILE  23          3HG2      ILE  23  -2.831   3.076  -5.509
  385   1HD1  ILE  23          1HD1      ILE  23  -4.390   1.836  -4.813
  386   2HD1  ILE  23          2HD1      ILE  23  -5.679   0.947  -5.626
  387   3HD1  ILE  23          3HD1      ILE  23  -6.012   2.523  -4.906
  388    H    ASP  24           H        ASP  24  -5.037   6.844  -7.575
  389    HA   ASP  24           HA       ASP  24  -3.188   8.401  -6.294
  390   1HB   ASP  24          1HB       ASP  24  -5.496   9.376  -7.992
  391   2HB   ASP  24          2HB       ASP  24  -4.053  10.310  -7.609
  392    H    ASN  25           H        ASN  25  -6.715   8.574  -5.938
  393    HA   ASN  25           HA       ASN  25  -6.837  10.769  -4.210
  394   1HB   ASN  25          1HB       ASN  25  -8.823   9.811  -5.289
  395   2HB   ASN  25          2HB       ASN  25  -8.650   8.345  -4.331
  396   1HD2  ASN  25          1HD2      ASN  25 -10.327  11.117  -4.585
  397   2HD2  ASN  25          2HD2      ASN  25 -10.811  11.333  -2.941
  398    H    VAL  26           H        VAL  26  -6.604   7.300  -3.502
  399    HA   VAL  26           HA       VAL  26  -6.621   7.444  -0.717
  400    HB   VAL  26           HB       VAL  26  -5.083   5.484  -2.433
  401   1HG1  VAL  26          1HG1      VAL  26  -4.432   4.496  -0.557
  402   2HG1  VAL  26          2HG1      VAL  26  -6.103   4.375  -0.008
  403   3HG1  VAL  26          3HG1      VAL  26  -5.153   5.813   0.367
  404   1HG2  VAL  26          1HG2      VAL  26  -7.017   4.080  -2.382
  405   2HG2  VAL  26          2HG2      VAL  26  -7.520   5.671  -2.953
  406   3HG2  VAL  26          3HG2      VAL  26  -7.856   5.184  -1.291
  407    H    LYS  27           H        LYS  27  -3.980   7.747  -3.039
  408    HA   LYS  27           HA       LYS  27  -1.838   7.864  -1.242
  409   1HB   LYS  27          1HB       LYS  27  -2.187   9.178  -3.942
  410   2HB   LYS  27          2HB       LYS  27  -0.663   9.104  -3.069
  411   1HG   LYS  27          1HG       LYS  27  -2.242   6.707  -3.973
  412   2HG   LYS  27          2HG       LYS  27  -0.861   7.395  -4.830
  413   1HD   LYS  27          1HD       LYS  27   0.560   6.966  -2.886
  414   2HD   LYS  27          2HD       LYS  27  -0.822   6.286  -2.021
  415   1HE   LYS  27          1HE       LYS  27   0.570   4.521  -2.961
  416   2HE   LYS  27          2HE       LYS  27  -1.020   4.536  -3.720
  417   1HZ   LYS  27          1HZ       LYS  27   0.777   6.189  -5.153
  418   2HZ   LYS  27          2HZ       LYS  27  -0.086   4.838  -5.691
  419   3HZ   LYS  27          3HZ       LYS  27   1.435   4.640  -4.979
  420    H    SER  28           H        SER  28  -4.001  10.371  -2.469
  421    HA   SER  28           HA       SER  28  -2.688  12.597  -1.389
  422   1HB   SER  28          1HB       SER  28  -4.487  12.798  -3.049
  423   2HB   SER  28          2HB       SER  28  -5.653  12.199  -1.869
  424    HG   SER  28           HG       SER  28  -4.076  14.517  -1.458
  425    H    LYS  29           H        LYS  29  -5.300  10.583  -0.045
  426    HA   LYS  29           HA       LYS  29  -5.512  11.991   2.396
  427   1HB   LYS  29          1HB       LYS  29  -6.240   9.159   1.653
  428   2HB   LYS  29          2HB       LYS  29  -6.585   9.855   3.231
  429   1HG   LYS  29          1HG       LYS  29  -7.934  11.600   2.142
  430   2HG   LYS  29          2HG       LYS  29  -7.628  10.836   0.582
  431   1HD   LYS  29          1HD       LYS  29  -8.775   8.842   1.274
  432   2HD   LYS  29          2HD       LYS  29  -8.941   9.456   2.919
  433   1HE   LYS  29          1HE       LYS  29 -11.030   9.681   1.684
  434   2HE   LYS  29          2HE       LYS  29 -10.370  11.261   2.107
  435   1HZ   LYS  29          1HZ       LYS  29  -9.320  11.083  -0.248
  436   2HZ   LYS  29          2HZ       LYS  29 -10.934  11.562  -0.077
  437   3HZ   LYS  29          3HZ       LYS  29 -10.568   9.973  -0.523
  438    H    ILE  30           H        ILE  30  -3.645   9.111   1.487
  439    HA   ILE  30           HA       ILE  30  -2.584   8.525   4.004
  440    HB   ILE  30           HB       ILE  30  -1.294   8.106   1.295
  441   1HG1  ILE  30          1HG1      ILE  30  -2.928   6.237   3.030
  442   2HG1  ILE  30          2HG1      ILE  30  -3.499   7.019   1.561
  443   1HG2  ILE  30          1HG2      ILE  30   0.098   6.450   2.393
  444   2HG2  ILE  30          2HG2      ILE  30  -0.674   6.793   3.941
  445   3HG2  ILE  30          3HG2      ILE  30   0.316   8.024   3.158
  446   1HD1  ILE  30          1HD1      ILE  30  -2.932   4.780   1.025
  447   2HD1  ILE  30          2HD1      ILE  30  -1.359   4.925   1.808
  448   3HD1  ILE  30          3HD1      ILE  30  -1.692   5.819   0.324
  449    H    GLN  31           H        GLN  31  -1.443  10.700   1.464
  450    HA   GLN  31           HA       GLN  31   0.966  11.454   2.742
  451   1HB   GLN  31          1HB       GLN  31   0.541  11.799   0.333
  452   2HB   GLN  31          2HB       GLN  31  -0.691  12.989   0.729
  453   1HG   GLN  31          1HG       GLN  31   1.030  14.378   1.805
  454   2HG   GLN  31          2HG       GLN  31   2.251  13.200   1.329
  455   1HE2  GLN  31          1HE2      GLN  31  -0.020  13.256  -1.065
  456   2HE2  GLN  31          2HE2      GLN  31   0.716  14.402  -2.125
  457    H    ASP  32           H        ASP  32  -2.334  12.613   2.894
  458    HA   ASP  32           HA       ASP  32  -1.901  15.048   4.201
  459   1HB   ASP  32          1HB       ASP  32  -4.053  14.408   3.188
  460   2HB   ASP  32          2HB       ASP  32  -4.275  13.186   4.435
  461    H    LYS  33           H        LYS  33  -2.632  11.830   5.582
  462    HA   LYS  33           HA       LYS  33  -2.227  12.831   8.268
  463   1HB   LYS  33          1HB       LYS  33  -2.795  10.061   7.215
  464   2HB   LYS  33          2HB       LYS  33  -2.569  10.420   8.919
  465   1HG   LYS  33          1HG       LYS  33  -4.885  10.355   8.595
  466   2HG   LYS  33          2HG       LYS  33  -4.480  12.070   8.679
  467   1HD   LYS  33          1HD       LYS  33  -4.523  12.198   6.237
  468   2HD   LYS  33          2HD       LYS  33  -4.915  10.478   6.155
  469   1HE   LYS  33          1HE       LYS  33  -6.913  11.852   5.880
  470   2HE   LYS  33          2HE       LYS  33  -6.999  10.887   7.353
  471   1HZ   LYS  33          1HZ       LYS  33  -7.733  13.203   7.656
  472   2HZ   LYS  33          2HZ       LYS  33  -6.178  13.739   7.262
  473   3HZ   LYS  33          3HZ       LYS  33  -6.423  12.802   8.648
  474    H    GLU  34           H        GLU  34  -0.687  10.228   6.373
  475    HA   GLU  34           HA       GLU  34   1.434   9.805   8.147
  476   1HB   GLU  34          1HB       GLU  34   1.377   9.297   5.170
  477   2HB   GLU  34          2HB       GLU  34   2.508   8.589   6.315
  478   1HG   GLU  34          1HG       GLU  34  -0.472   8.163   6.307
  479   2HG   GLU  34          2HG       GLU  34   0.732   7.035   5.689
  480    H    GLY  35           H        GLY  35   1.161  11.986   5.377
  481   1HA   GLY  35          1HA       GLY  35   2.403  13.889   4.922
  482   2HA   GLY  35          2HA       GLY  35   3.318  13.598   6.395
  483    H    ILE  36           H        ILE  36   2.833  11.630   3.482
  484    HA   ILE  36           HA       ILE  36   5.721  11.778   2.943
  485    HB   ILE  36           HB       ILE  36   4.077   9.239   2.935
  486   1HG1  ILE  36          1HG1      ILE  36   6.387  10.063   4.708
  487   2HG1  ILE  36          2HG1      ILE  36   4.696  10.041   5.196
  488   1HG2  ILE  36          1HG2      ILE  36   7.021   9.195   2.629
  489   2HG2  ILE  36          2HG2      ILE  36   6.072   9.714   1.237
  490   3HG2  ILE  36          3HG2      ILE  36   5.793   8.127   1.951
  491   1HD1  ILE  36          1HD1      ILE  36   4.622   7.761   5.318
  492   2HD1  ILE  36          2HD1      ILE  36   6.298   8.060   5.777
  493   3HD1  ILE  36          3HD1      ILE  36   5.911   7.545   4.135
  494    HA   PRO  37           HA       PRO  37   4.371  12.849  -1.156
  495   1HB   PRO  37          1HB       PRO  37   6.867  11.429  -1.953
  496   2HB   PRO  37          2HB       PRO  37   6.305  13.047  -2.388
  497   1HG   PRO  37          1HG       PRO  37   8.246  12.734  -0.600
  498   2HG   PRO  37          2HG       PRO  37   6.997  13.973  -0.373
  499   1HD   PRO  37          1HD       PRO  37   7.306  11.321   0.965
  500   2HD   PRO  37          2HD       PRO  37   6.737  12.863   1.635
  501    HA   PRO  38           HA       PRO  38   2.249   9.170  -2.482
  502   1HB   PRO  38          1HB       PRO  38   2.278  10.529  -5.127
  503   2HB   PRO  38          2HB       PRO  38   0.915   9.875  -4.212
  504   1HG   PRO  38          1HG       PRO  38   1.325  12.503  -4.356
  505   2HG   PRO  38          2HG       PRO  38   0.756  11.748  -2.856
  506   1HD   PRO  38          1HD       PRO  38   3.480  12.748  -3.563
  507   2HD   PRO  38          2HD       PRO  38   2.623  12.806  -2.009
  508    H    ASP  39           H        ASP  39   4.674  10.553  -4.695
  509    HA   ASP  39           HA       ASP  39   5.194   8.154  -6.089
  510   1HB   ASP  39          1HB       ASP  39   6.973  10.573  -5.707
  511   2HB   ASP  39          2HB       ASP  39   7.219   9.304  -6.903
  512    H    GLN  40           H        GLN  40   6.663   9.633  -3.247
  513    HA   GLN  40           HA       GLN  40   8.884   7.963  -2.972
  514   1HB   GLN  40          1HB       GLN  40   8.523  10.048  -1.692
  515   2HB   GLN  40          2HB       GLN  40   7.244   9.256  -0.784
  516   1HG   GLN  40          1HG       GLN  40   9.181   9.257   0.573
  517   2HG   GLN  40          2HG       GLN  40   8.939   7.605   0.010
  518   1HE2  GLN  40          1HE2      GLN  40  11.222   9.814   0.603
  519   2HE2  GLN  40          2HE2      GLN  40  12.437   9.324  -0.523
  520    H    GLN  41           H        GLN  41   5.672   7.676  -1.460
  521    HA   GLN  41           HA       GLN  41   6.292   5.056  -0.414
  522   1HB   GLN  41          1HB       GLN  41   3.995   5.120   0.473
  523   2HB   GLN  41          2HB       GLN  41   4.914   6.554   0.908
  524   1HG   GLN  41          1HG       GLN  41   3.791   7.845  -0.784
  525   2HG   GLN  41          2HG       GLN  41   2.950   6.409  -1.368
  526   1HE2  GLN  41          1HE2      GLN  41   2.546   9.119   0.364
  527   2HE2  GLN  41          2HE2      GLN  41   1.270   8.627   1.418
  528    H    ARG  42           H        ARG  42   5.321   3.110  -0.997
  529    HA   ARG  42           HA       ARG  42   3.740   3.109  -3.472
  530   1HB   ARG  42          1HB       ARG  42   6.183   1.440  -2.896
  531   2HB   ARG  42          2HB       ARG  42   5.010   1.004  -4.129
  532   1HG   ARG  42          1HG       ARG  42   5.434   3.148  -5.259
  533   2HG   ARG  42          2HG       ARG  42   6.657   3.524  -4.044
  534   1HD   ARG  42          1HD       ARG  42   7.955   1.587  -4.713
  535   2HD   ARG  42          2HD       ARG  42   6.708   1.123  -5.869
  536    HE   ARG  42           HE       ARG  42   7.703   2.532  -7.345
  537   1HH1  ARG  42          1HH1      ARG  42   8.383   3.700  -4.132
  538   2HH1  ARG  42          2HH1      ARG  42   9.349   5.028  -4.683
  539   1HH2  ARG  42          1HH2      ARG  42   8.975   4.272  -8.074
  540   2HH2  ARG  42          2HH2      ARG  42   9.685   5.353  -6.923
  541    H    LEU  43           H        LEU  43   1.845   2.272  -2.966
  542    HA   LEU  43           HA       LEU  43   1.517   0.500  -0.724
  543   1HB   LEU  43          1HB       LEU  43  -0.342   1.795  -2.679
  544   2HB   LEU  43          2HB       LEU  43  -0.917   0.492  -1.658
  545    HG   LEU  43           HG       LEU  43  -1.451   2.704  -0.727
  546   1HD1  LEU  43          1HD1      LEU  43  -1.311   1.022   0.894
  547   2HD1  LEU  43          2HD1      LEU  43  -0.321   2.336   1.530
  548   3HD1  LEU  43          3HD1      LEU  43   0.448   0.937   0.781
  549   1HD2  LEU  43          1HD2      LEU  43   1.070   3.490   0.291
  550   2HD2  LEU  43          2HD2      LEU  43   0.011   4.369  -0.812
  551   3HD2  LEU  43          3HD2      LEU  43   1.241   3.277  -1.451
  552    H    ILE  44           H        ILE  44   0.973  -1.616  -0.711
  553    HA   ILE  44           HA       ILE  44   0.865  -3.042  -3.275
  554    HB   ILE  44           HB       ILE  44   2.446  -3.908  -0.847
  555   1HG1  ILE  44          1HG1      ILE  44   3.362  -3.118  -3.622
  556   2HG1  ILE  44          2HG1      ILE  44   3.533  -2.132  -2.175
  557   1HG2  ILE  44          1HG2      ILE  44   1.826  -5.290  -3.444
  558   2HG2  ILE  44          2HG2      ILE  44   1.543  -5.865  -1.801
  559   3HG2  ILE  44          3HG2      ILE  44   3.189  -5.752  -2.424
  560   1HD1  ILE  44          1HD1      ILE  44   5.566  -3.035  -2.051
  561   2HD1  ILE  44          2HD1      ILE  44   5.146  -4.362  -3.133
  562   3HD1  ILE  44          3HD1      ILE  44   4.738  -4.457  -1.420
  563    H    PHE  45           H        PHE  45  -0.587  -4.670  -3.383
  564    HA   PHE  45           HA       PHE  45  -1.820  -5.757  -0.998
  565   1HB   PHE  45          1HB       PHE  45  -3.125  -3.690  -1.448
  566   2HB   PHE  45          2HB       PHE  45  -3.487  -4.293  -3.061
  567    HD1  PHE  45           HD1      PHE  45  -5.743  -4.738  -3.146
  568    HD2  PHE  45           HD2      PHE  45  -3.520  -5.986   0.264
  569    HE1  PHE  45           HE1      PHE  45  -7.737  -5.879  -2.268
  570    HE2  PHE  45           HE2      PHE  45  -5.510  -7.131   1.146
  571    HZ   PHE  45           HZ       PHE  45  -7.622  -7.079  -0.120
  572    H    ALA  46           H        ALA  46  -2.646  -7.784  -1.332
  573    HA   ALA  46           HA       ALA  46  -2.828  -9.823  -2.332
  574   1HB   ALA  46          1HB       ALA  46  -3.719  -9.496  -4.856
  575   2HB   ALA  46          2HB       ALA  46  -4.119  -7.918  -4.177
  576   3HB   ALA  46          3HB       ALA  46  -4.752  -9.385  -3.431
  577    H    GLY  47           H        GLY  47  -0.280  -8.564  -2.417
  578   1HA   GLY  47          1HA       GLY  47   1.791  -8.871  -3.347
  579   2HA   GLY  47          2HA       GLY  47   1.099 -10.265  -4.162
  580    H    LYS  48           H        LYS  48   0.120  -6.887  -4.544
  581    HA   LYS  48           HA       LYS  48   1.465  -6.696  -7.112
  582   1HB   LYS  48          1HB       LYS  48  -1.548  -6.645  -6.869
  583   2HB   LYS  48          2HB       LYS  48  -0.667  -6.097  -8.287
  584   1HG   LYS  48          1HG       LYS  48   0.224  -8.337  -8.617
  585   2HG   LYS  48          2HG       LYS  48  -0.623  -8.894  -7.173
  586   1HD   LYS  48          1HD       LYS  48  -2.765  -8.346  -8.214
  587   2HD   LYS  48          2HD       LYS  48  -1.923  -7.768  -9.654
  588   1HE   LYS  48          1HE       LYS  48  -2.771 -10.023  -9.995
  589   2HE   LYS  48          2HE       LYS  48  -1.008 -10.006 -10.016
  590   1HZ   LYS  48          1HZ       LYS  48  -2.161 -10.488  -7.415
  591   2HZ   LYS  48          2HZ       LYS  48  -0.902 -11.293  -8.206
  592   3HZ   LYS  48          3HZ       LYS  48  -2.509 -11.690  -8.554
  593    H    GLN  49           H        GLN  49   2.020  -4.658  -7.590
  594    HA   GLN  49           HA       GLN  49   1.683  -2.595  -5.682
  595   1HB   GLN  49          1HB       GLN  49   2.656  -2.502  -8.545
  596   2HB   GLN  49          2HB       GLN  49   2.757  -1.155  -7.421
  597   1HG   GLN  49          1HG       GLN  49   4.044  -3.829  -6.947
  598   2HG   GLN  49          2HG       GLN  49   4.859  -2.462  -7.702
  599   1HE2  GLN  49          1HE2      GLN  49   2.853  -1.048  -5.588
  600   2HE2  GLN  49          2HE2      GLN  49   3.872  -0.968  -4.197
  601    H    LEU  50           H        LEU  50   0.188  -1.014  -5.505
  602    HA   LEU  50           HA       LEU  50  -2.190  -1.149  -7.068
  603   1HB   LEU  50          1HB       LEU  50  -1.210   0.808  -5.001
  604   2HB   LEU  50          2HB       LEU  50  -2.739   1.017  -5.828
  605    HG   LEU  50           HG       LEU  50  -3.116   0.027  -3.661
  606   1HD1  LEU  50          1HD1      LEU  50  -3.642  -2.425  -5.054
  607   2HD1  LEU  50          2HD1      LEU  50  -4.006  -1.041  -6.084
  608   3HD1  LEU  50          3HD1      LEU  50  -4.766  -1.186  -4.499
  609   1HD2  LEU  50          1HD2      LEU  50  -2.127  -1.933  -2.873
  610   2HD2  LEU  50          2HD2      LEU  50  -0.793  -1.039  -3.603
  611   3HD2  LEU  50          3HD2      LEU  50  -1.531  -2.385  -4.471
  612    H    GLU  51           H        GLU  51  -2.604  -0.242  -8.967
  613    HA   GLU  51           HA       GLU  51  -0.705   1.491 -10.231
  614   1HB   GLU  51          1HB       GLU  51  -3.477   0.657 -11.107
  615   2HB   GLU  51          2HB       GLU  51  -2.302   1.491 -12.115
  616   1HG   GLU  51          1HG       GLU  51  -0.793  -0.416 -11.946
  617   2HG   GLU  51          2HG       GLU  51  -1.959  -1.251 -10.921
  618    H    ASP  52           H        ASP  52  -0.732   3.661 -10.422
  619    HA   ASP  52           HA       ASP  52  -2.518   5.174  -8.779
  620   1HB   ASP  52          1HB       ASP  52  -0.393   6.082 -10.733
  621   2HB   ASP  52          2HB       ASP  52  -1.227   7.125  -9.586
  622    H    GLY  53           H        GLY  53  -4.203   3.969 -10.460
  623   1HA   GLY  53          1HA       GLY  53  -5.679   6.042 -11.598
  624   2HA   GLY  53          2HA       GLY  53  -4.745   5.301 -12.888
  625    H    ARG  54           H        ARG  54  -6.284   3.812 -10.055
  626    HA   ARG  54           HA       ARG  54  -8.226   2.490 -11.788
  627   1HB   ARG  54          1HB       ARG  54  -6.348   1.010  -9.939
  628   2HB   ARG  54          2HB       ARG  54  -7.698   0.292 -10.799
  629   1HG   ARG  54          1HG       ARG  54  -5.331   1.596 -12.122
  630   2HG   ARG  54          2HG       ARG  54  -5.510  -0.139 -11.859
  631   1HD   ARG  54          1HD       ARG  54  -7.355   1.604 -13.490
  632   2HD   ARG  54          2HD       ARG  54  -6.143   0.499 -14.135
  633    HE   ARG  54           HE       ARG  54  -7.851  -0.945 -12.454
  634   1HH1  ARG  54          1HH1      ARG  54  -7.929   0.737 -15.506
  635   2HH1  ARG  54          2HH1      ARG  54  -9.185  -0.255 -16.166
  636   1HH2  ARG  54          1HH2      ARG  54  -9.501  -2.257 -13.317
  637   2HH2  ARG  54          2HH2      ARG  54 -10.076  -1.961 -14.923
  638    H    THR  55           H        THR  55 -10.167   2.288 -10.845
  639    HA   THR  55           HA       THR  55 -10.633   3.443  -8.282
  640    HB   THR  55           HB       THR  55 -12.984   2.800  -8.617
  641    HG1  THR  55           HG1      THR  55 -12.278   1.709 -11.128
  642   1HG2  THR  55          1HG2      THR  55 -12.132   4.847  -9.669
  643   2HG2  THR  55          2HG2      THR  55 -13.398   4.100 -10.643
  644   3HG2  THR  55          3HG2      THR  55 -11.706   3.927 -11.112
  645    H    LEU  56           H        LEU  56 -10.999   2.517  -6.336
  646    HA   LEU  56           HA       LEU  56 -10.006  -0.057  -5.801
  647   1HB   LEU  56          1HB       LEU  56 -11.812   1.661  -4.100
  648   2HB   LEU  56          2HB       LEU  56 -10.920   0.262  -3.536
  649    HG   LEU  56           HG       LEU  56  -9.736   2.860  -4.520
  650   1HD1  LEU  56          1HD1      LEU  56  -8.991   3.127  -2.230
  651   2HD1  LEU  56          2HD1      LEU  56  -9.742   1.594  -1.783
  652   3HD1  LEU  56          3HD1      LEU  56 -10.746   2.956  -2.283
  653   1HD2  LEU  56          1HD2      LEU  56  -7.627   1.696  -3.521
  654   2HD2  LEU  56          2HD2      LEU  56  -8.132   1.333  -5.171
  655   3HD2  LEU  56          3HD2      LEU  56  -8.516   0.212  -3.864
  656    H    SER  57           H        SER  57 -13.180   1.074  -6.633
  657    HA   SER  57           HA       SER  57 -14.827  -0.883  -5.616
  658   1HB   SER  57          1HB       SER  57 -16.334  -0.403  -7.518
  659   2HB   SER  57          2HB       SER  57 -15.688   1.072  -6.799
  660    HG   SER  57           HG       SER  57 -15.158   1.491  -8.796
  661    H    ASP  58           H        ASP  58 -12.956  -0.990  -8.636
  662    HA   ASP  58           HA       ASP  58 -13.885  -3.473  -9.544
  663   1HB   ASP  58          1HB       ASP  58 -11.243  -2.074  -9.980
  664   2HB   ASP  58          2HB       ASP  58 -11.707  -3.552 -10.817
  665    H    TYR  59           H        TYR  59 -11.302  -2.622  -7.313
  666    HA   TYR  59           HA       TYR  59 -10.205  -5.225  -7.073
  667   1HB   TYR  59          1HB       TYR  59 -10.098  -2.849  -5.206
  668   2HB   TYR  59          2HB       TYR  59  -9.180  -4.329  -4.965
  669    HD1  TYR  59           HD1      TYR  59  -9.810  -2.054  -7.880
  670    HD2  TYR  59           HD2      TYR  59  -6.954  -4.073  -5.458
  671    HE1  TYR  59           HE1      TYR  59  -7.998  -1.154  -9.276
  672    HE2  TYR  59           HE2      TYR  59  -5.134  -3.177  -6.847
  673    HH   TYR  59           HH       TYR  59  -5.602  -0.680  -9.105
  674    H    ASN  60           H        ASN  60 -12.874  -3.580  -5.553
  675    HA   ASN  60           HA       ASN  60 -14.517  -4.269  -4.145
  676   1HB   ASN  60          1HB       ASN  60 -13.469  -7.011  -4.880
  677   2HB   ASN  60          2HB       ASN  60 -14.926  -6.733  -3.931
  678   1HD2  ASN  60          1HD2      ASN  60 -16.698  -6.920  -5.067
  679   2HD2  ASN  60          2HD2      ASN  60 -16.901  -6.493  -6.728
  680    H    ILE  61           H        ILE  61 -12.108  -3.423  -3.056
  681    HA   ILE  61           HA       ILE  61 -11.048  -5.123  -1.079
  682    HB   ILE  61           HB       ILE  61 -11.154  -2.104  -1.135
  683   1HG1  ILE  61          1HG1      ILE  61  -8.984  -4.023  -2.011
  684   2HG1  ILE  61          2HG1      ILE  61 -10.048  -3.131  -3.093
  685   1HG2  ILE  61          1HG2      ILE  61  -9.786  -2.006   0.666
  686   2HG2  ILE  61          2HG2      ILE  61  -8.994  -3.536   0.287
  687   3HG2  ILE  61          3HG2      ILE  61 -10.583  -3.532   1.054
  688   1HD1  ILE  61          1HD1      ILE  61  -7.981  -1.989  -3.041
  689   2HD1  ILE  61          2HD1      ILE  61  -7.923  -2.030  -1.278
  690   3HD1  ILE  61          3HD1      ILE  61  -9.117  -1.024  -2.100
  691    H    GLN  62           H        GLN  62 -11.748  -5.689   0.887
  692    HA   GLN  62           HA       GLN  62 -14.393  -5.028   1.709
  693   1HB   GLN  62          1HB       GLN  62 -12.192  -6.467   3.205
  694   2HB   GLN  62          2HB       GLN  62 -13.881  -6.415   3.687
  695   1HG   GLN  62          1HG       GLN  62 -12.874  -7.595   1.109
  696   2HG   GLN  62          2HG       GLN  62 -13.221  -8.516   2.570
  697   1HE2  GLN  62          1HE2      GLN  62 -15.453  -6.187   2.677
  698   2HE2  GLN  62          2HE2      GLN  62 -16.738  -6.937   1.801
  699    H    LYS  63           H        LYS  63 -13.534  -5.039   4.626
  700    HA   LYS  63           HA       LYS  63 -12.784  -2.197   4.812
  701   1HB   LYS  63          1HB       LYS  63 -14.200  -2.079   6.845
  702   2HB   LYS  63          2HB       LYS  63 -15.119  -2.429   5.387
  703   1HG   LYS  63          1HG       LYS  63 -15.224  -4.779   5.991
  704   2HG   LYS  63          2HG       LYS  63 -14.251  -4.466   7.430
  705   1HD   LYS  63          1HD       LYS  63 -16.009  -2.963   8.269
  706   2HD   LYS  63          2HD       LYS  63 -16.983  -3.325   6.842
  707   1HE   LYS  63          1HE       LYS  63 -17.699  -4.647   8.768
  708   2HE   LYS  63          2HE       LYS  63 -17.069  -5.674   7.481
  709   1HZ   LYS  63          1HZ       LYS  63 -15.485  -6.440   8.814
  710   2HZ   LYS  63          2HZ       LYS  63 -16.290  -5.695  10.102
  711   3HZ   LYS  63          3HZ       LYS  63 -15.028  -4.890   9.315
  712    H    GLU  64           H        GLU  64 -11.424  -1.581   6.494
  713    HA   GLU  64           HA       GLU  64  -9.721  -1.779   7.981
  714   1HB   GLU  64          1HB       GLU  64 -11.108  -4.355   8.749
  715   2HB   GLU  64          2HB       GLU  64  -9.849  -3.555   9.681
  716   1HG   GLU  64          1HG       GLU  64 -11.300  -1.625  10.002
  717   2HG   GLU  64          2HG       GLU  64 -12.560  -2.408   9.050
  718    H    SER  65           H        SER  65  -9.410  -2.778   5.307
  719    HA   SER  65           HA       SER  65  -7.903  -5.218   5.404
  720   1HB   SER  65          1HB       SER  65  -8.130  -3.123   3.227
  721   2HB   SER  65          2HB       SER  65  -7.357  -4.697   3.041
  722    HG   SER  65           HG       SER  65  -9.922  -4.774   4.047
  723    H    THR  66           H        THR  66  -5.747  -5.494   5.610
  724    HA   THR  66           HA       THR  66  -4.184  -3.190   6.426
  725    HB   THR  66           HB       THR  66  -3.412  -6.114   6.321
  726    HG1  THR  66           HG1      THR  66  -3.958  -4.607   8.654
  727   1HG2  THR  66          1HG2      THR  66  -1.498  -4.524   6.235
  728   2HG2  THR  66          2HG2      THR  66  -1.527  -5.509   7.698
  729   3HG2  THR  66          3HG2      THR  66  -2.058  -3.829   7.757
  730    H    LEU  67           H        LEU  67  -3.766  -2.025   4.556
  731    HA   LEU  67           HA       LEU  67  -2.602  -3.346   2.256
  732   1HB   LEU  67          1HB       LEU  67  -3.234  -0.463   2.854
  733   2HB   LEU  67          2HB       LEU  67  -2.409  -0.965   1.392
  734    HG   LEU  67           HG       LEU  67  -4.392  -2.393   0.841
  735   1HD1  LEU  67          1HD1      LEU  67  -5.396  -2.722   2.966
  736   2HD1  LEU  67          2HD1      LEU  67  -6.522  -1.765   2.003
  737   3HD1  LEU  67          3HD1      LEU  67  -5.536  -0.986   3.240
  738   1HD2  LEU  67          1HD2      LEU  67  -4.455  -0.511  -0.423
  739   2HD2  LEU  67          2HD2      LEU  67  -4.391   0.565   0.973
  740   3HD2  LEU  67          3HD2      LEU  67  -5.905  -0.229   0.540
  741    H    HIS  68           H        HIS  68  -0.495  -3.434   1.727
  742    HA   HIS  68           HA       HIS  68   1.418  -2.639   3.736
  743   1HB   HIS  68          1HB       HIS  68   1.610  -4.186   1.163
  744   2HB   HIS  68          2HB       HIS  68   3.046  -3.717   2.071
  745    HD1  HIS  68           HD1      HIS  68  -0.268  -5.206   3.237
  746    HD2  HIS  68           HD2      HIS  68   3.815  -5.925   3.403
  747    HE1  HIS  68           HE1      HIS  68   0.004  -7.227   4.712
  748    HE2  HIS  68           HE2      HIS  68   2.488  -7.536   4.924
  749    H    LEU  69           H        LEU  69   3.082  -1.175   3.532
  750    HA   LEU  69           HA       LEU  69   3.058   0.535   1.134
  751   1HB   LEU  69          1HB       LEU  69   1.853   1.527   3.142
  752   2HB   LEU  69          2HB       LEU  69   3.404   1.581   3.943
  753    HG   LEU  69           HG       LEU  69   2.847   2.996   1.339
  754   1HD1  LEU  69          1HD1      LEU  69   1.517   4.330   2.554
  755   2HD1  LEU  69          2HD1      LEU  69   3.023   4.940   3.242
  756   3HD1  LEU  69          3HD1      LEU  69   2.111   3.688   4.086
  757   1HD2  LEU  69          1HD2      LEU  69   5.162   2.724   1.638
  758   2HD2  LEU  69          2HD2      LEU  69   5.058   3.066   3.363
  759   3HD2  LEU  69          3HD2      LEU  69   4.808   4.361   2.192
  760    H    VAL  70           H        VAL  70   5.039   0.948   0.304
  761    HA   VAL  70           HA       VAL  70   7.378   0.186   1.932
  762    HB   VAL  70           HB       VAL  70   7.292   0.133  -1.082
  763   1HG1  VAL  70          1HG1      VAL  70   9.515   0.227  -0.237
  764   2HG1  VAL  70          2HG1      VAL  70   9.218  -1.442  -0.737
  765   3HG1  VAL  70          3HG1      VAL  70   9.173  -1.009   0.975
  766   1HG2  VAL  70          1HG2      VAL  70   6.555  -2.017   0.878
  767   2HG2  VAL  70          2HG2      VAL  70   7.146  -2.396  -0.741
  768   3HG2  VAL  70          3HG2      VAL  70   5.665  -1.458  -0.539
  769    H    LEU  71           H        LEU  71   8.728   1.795   2.386
  770    HA   LEU  71           HA       LEU  71   8.402   4.358   1.081
  771   1HB   LEU  71          1HB       LEU  71  10.152   3.458   3.366
  772   2HB   LEU  71          2HB       LEU  71  10.145   5.093   2.738
  773    HG   LEU  71           HG       LEU  71   7.704   5.221   3.323
  774   1HD1  LEU  71          1HD1      LEU  71   8.301   2.476   4.262
  775   2HD1  LEU  71          2HD1      LEU  71   6.818   3.148   3.584
  776   3HD1  LEU  71          3HD1      LEU  71   7.244   3.469   5.265
  777   1HD2  LEU  71          1HD2      LEU  71   8.226   6.085   5.339
  778   2HD2  LEU  71          2HD2      LEU  71   9.878   5.771   4.806
  779   3HD2  LEU  71          3HD2      LEU  71   9.061   4.625   5.870
  780    H    ARG  72           H        ARG  72   9.496   4.912  -0.662
  781    HA   ARG  72           HA       ARG  72  11.699   3.379  -1.642
  782   1HB   ARG  72          1HB       ARG  72  10.153   4.462  -3.185
  783   2HB   ARG  72          2HB       ARG  72  10.582   6.041  -2.545
  784   1HG   ARG  72          1HG       ARG  72  12.875   5.736  -3.365
  785   2HG   ARG  72          2HG       ARG  72  12.410   4.174  -4.040
  786   1HD   ARG  72          1HD       ARG  72  10.795   5.263  -5.495
  787   2HD   ARG  72          2HD       ARG  72  11.196   6.830  -4.792
  788    HE   ARG  72           HE       ARG  72  13.545   5.682  -5.782
  789   1HH1  ARG  72          1HH1      ARG  72  10.528   6.968  -6.961
  790   2HH1  ARG  72          2HH1      ARG  72  11.193   7.486  -8.474
  791   1HH2  ARG  72          1HH2      ARG  72  14.429   6.364  -7.769
  792   2HH2  ARG  72          2HH2      ARG  72  13.411   7.143  -8.933
  793    H    LEU  73           H        LEU  73  13.864   3.820  -1.601
  794    HA   LEU  73           HA       LEU  73  14.937   6.332  -0.827
  795   1HB   LEU  73          1HB       LEU  73  15.993   5.564   1.296
  796   2HB   LEU  73          2HB       LEU  73  14.255   5.766   1.378
  797    HG   LEU  73           HG       LEU  73  14.192   3.197   0.927
  798   1HD1  LEU  73          1HD1      LEU  73  16.970   3.611   0.969
  799   2HD1  LEU  73          2HD1      LEU  73  16.102   2.078   0.908
  800   3HD1  LEU  73          3HD1      LEU  73  16.565   2.767   2.464
  801   1HD2  LEU  73          1HD2      LEU  73  14.828   2.983   3.524
  802   2HD2  LEU  73          2HD2      LEU  73  13.313   3.680   2.950
  803   3HD2  LEU  73          3HD2      LEU  73  14.652   4.734   3.403
  804    H    ARG  74           H        ARG  74  17.023   6.524  -1.422
  805    HA   ARG  74           HA       ARG  74  18.172   4.388  -2.942
  806   1HB   ARG  74          1HB       ARG  74  19.921   5.996  -3.487
  807   2HB   ARG  74          2HB       ARG  74  18.343   6.749  -3.624
  808   1HG   ARG  74          1HG       ARG  74  18.651   7.792  -1.427
  809   2HG   ARG  74          2HG       ARG  74  20.257   7.070  -1.322
  810   1HD   ARG  74          1HD       ARG  74  20.913   8.286  -3.358
  811   2HD   ARG  74          2HD       ARG  74  19.317   9.032  -3.411
  812    HE   ARG  74           HE       ARG  74  20.475   9.534  -0.904
  813   1HH1  ARG  74          1HH1      ARG  74  20.857  10.405  -4.255
  814   2HH1  ARG  74          2HH1      ARG  74  21.559  11.950  -3.907
  815   1HH2  ARG  74          1HH2      ARG  74  21.399  11.567  -0.436
  816   2HH2  ARG  74          2HH2      ARG  74  21.868  12.610  -1.737
  817    H    GLY  75           H        GLY  75  20.980   5.346  -2.058
  818   1HA   GLY  75          1HA       GLY  75  21.425   4.624   0.605
  819   2HA   GLY  75          2HA       GLY  75  21.553   3.169  -0.371
  820    H    GLY  76           H        GLY  76  22.506   6.486  -1.183
  821   1HA   GLY  76          1HA       GLY  76  25.252   6.213  -0.670
  822   2HA   GLY  76          2HA       GLY  76  24.954   5.723  -2.332
  Start of MODEL   15
    1   1H    TYR 255          1H        TYR 255  26.137  -1.142  -3.953
    2   2H    TYR 255          2H        TYR 255  26.816  -2.210  -2.832
    3   3H    TYR 255          3H        TYR 255  27.280  -0.584  -2.839
    4    HA   TYR 255           HA       TYR 255  25.440  -1.626  -1.200
    5   1HB   TYR 255          1HB       TYR 255  26.616   0.571  -1.085
    6   2HB   TYR 255          2HB       TYR 255  25.491   1.204  -2.282
    7    HD1  TYR 255           HD1      TYR 255  24.133   2.759  -1.241
    8    HD2  TYR 255           HD2      TYR 255  24.956  -0.903   0.763
    9    HE1  TYR 255           HE1      TYR 255  22.581   3.399   0.555
   10    HE2  TYR 255           HE2      TYR 255  23.404  -0.274   2.564
   11    HH   TYR 255           HH       TYR 255  21.227   1.440   2.606
   12    HA   PRO 256           HA       PRO 256  22.332  -2.041  -4.776
   13   1HB   PRO 256          1HB       PRO 256  21.739  -4.410  -3.064
   14   2HB   PRO 256          2HB       PRO 256  21.785  -4.278  -4.826
   15   1HG   PRO 256          1HG       PRO 256  23.773  -5.457  -3.512
   16   2HG   PRO 256          2HG       PRO 256  24.103  -4.412  -4.907
   17   1HD   PRO 256          1HD       PRO 256  24.442  -3.851  -1.993
   18   2HD   PRO 256          2HD       PRO 256  25.443  -3.336  -3.367
   19    H    GLU 257           H        GLU 257  20.384  -1.127  -4.609
   20    HA   GLU 257           HA       GLU 257  19.454  -0.050  -2.198
   21   1HB   GLU 257          1HB       GLU 257  17.353   0.433  -3.506
   22   2HB   GLU 257          2HB       GLU 257  18.841   1.049  -4.202
   23   1HG   GLU 257          1HG       GLU 257  17.595   0.196  -5.993
   24   2HG   GLU 257          2HG       GLU 257  18.850  -0.999  -5.679
   25    H    ASP 258           H        ASP 258  18.017  -0.685  -0.695
   26    HA   ASP 258           HA       ASP 258  17.172  -3.474  -0.780
   27   1HB   ASP 258          1HB       ASP 258  16.612  -3.137   1.614
   28   2HB   ASP 258          2HB       ASP 258  18.290  -2.753   1.247
   29    H    GLU 259           H        GLU 259  15.883  -0.989  -2.150
   30    HA   GLU 259           HA       GLU 259  13.280  -0.777  -1.009
   31   1HB   GLU 259          1HB       GLU 259  14.491   0.055  -3.628
   32   2HB   GLU 259          2HB       GLU 259  12.762   0.208  -3.349
   33   1HG   GLU 259          1HG       GLU 259  13.947   2.289  -2.911
   34   2HG   GLU 259          2HG       GLU 259  13.161   1.663  -1.464
   35    H    GLU 260           H        GLU 260  14.593  -2.545  -3.789
   36    HA   GLU 260           HA       GLU 260  12.168  -3.662  -4.657
   37   1HB   GLU 260          1HB       GLU 260  14.993  -4.697  -4.954
   38   2HB   GLU 260          2HB       GLU 260  13.603  -5.331  -5.823
   39   1HG   GLU 260          1HG       GLU 260  14.609  -2.499  -6.008
   40   2HG   GLU 260          2HG       GLU 260  14.961  -3.780  -7.165
   41    H    GLU 261           H        GLU 261  14.672  -4.952  -2.488
   42    HA   GLU 261           HA       GLU 261  13.446  -7.436  -2.028
   43   1HB   GLU 261          1HB       GLU 261  14.899  -7.627  -0.082
   44   2HB   GLU 261          2HB       GLU 261  15.791  -6.978  -1.449
   45   1HG   GLU 261          1HG       GLU 261  15.620  -4.740  -0.520
   46   2HG   GLU 261          2HG       GLU 261  14.678  -5.362   0.832
   47    H    LEU 262           H        LEU 262  13.185  -4.351  -0.297
   48    HA   LEU 262           HA       LEU 262  11.549  -5.240   1.801
   49   1HB   LEU 262          1HB       LEU 262  12.717  -3.047   1.702
   50   2HB   LEU 262          2HB       LEU 262  11.570  -2.520   0.487
   51    HG   LEU 262           HG       LEU 262   9.742  -2.780   2.145
   52   1HD1  LEU 262          1HD1      LEU 262  10.256  -4.220   3.802
   53   2HD1  LEU 262          2HD1      LEU 262  10.857  -2.760   4.590
   54   3HD1  LEU 262          3HD1      LEU 262  11.977  -3.835   3.752
   55   1HD2  LEU 262          1HD2      LEU 262  11.648  -1.013   3.534
   56   2HD2  LEU 262          2HD2      LEU 262  10.037  -0.676   2.901
   57   3HD2  LEU 262          3HD2      LEU 262  11.425  -0.706   1.812
   58    H    ILE 263           H        ILE 263  10.742  -3.881  -1.364
   59    HA   ILE 263           HA       ILE 263   7.974  -3.809  -1.135
   60    HB   ILE 263           HB       ILE 263   9.861  -4.017  -3.427
   61   1HG1  ILE 263          1HG1      ILE 263   7.680  -2.034  -2.793
   62   2HG1  ILE 263          2HG1      ILE 263   9.356  -1.871  -2.283
   63   1HG2  ILE 263          1HG2      ILE 263   8.304  -5.299  -4.496
   64   2HG2  ILE 263          2HG2      ILE 263   7.634  -3.703  -4.832
   65   3HG2  ILE 263          3HG2      ILE 263   6.969  -4.681  -3.524
   66   1HD1  ILE 263          1HD1      ILE 263   9.756  -0.803  -4.172
   67   2HD1  ILE 263          2HD1      ILE 263   8.134  -1.159  -4.769
   68   3HD1  ILE 263          3HD1      ILE 263   9.446  -2.306  -5.041
   69    H    ARG 264           H        ARG 264  10.017  -6.470  -2.418
   70    HA   ARG 264           HA       ARG 264   7.820  -8.176  -2.882
   71   1HB   ARG 264          1HB       ARG 264   9.446 -10.005  -3.048
   72   2HB   ARG 264          2HB       ARG 264   9.888  -8.613  -4.020
   73   1HG   ARG 264          1HG       ARG 264  11.893  -9.301  -3.090
   74   2HG   ARG 264          2HG       ARG 264  11.399  -7.966  -2.052
   75   1HD   ARG 264          1HD       ARG 264  10.558  -9.525  -0.399
   76   2HD   ARG 264          2HD       ARG 264  10.933 -10.885  -1.454
   77    HE   ARG 264           HE       ARG 264  13.293  -9.469  -1.056
   78   1HH1  ARG 264          1HH1      ARG 264  11.005 -11.286   0.847
   79   2HH1  ARG 264          2HH1      ARG 264  12.190 -11.824   1.991
   80   1HH2  ARG 264          1HH2      ARG 264  14.858 -10.176   0.445
   81   2HH2  ARG 264          2HH2      ARG 264  14.378 -11.192   1.763
   82    H    LYS 265           H        LYS 265   9.742  -7.526  -0.025
   83    HA   LYS 265           HA       LYS 265   9.016  -9.743   1.526
   84   1HB   LYS 265          1HB       LYS 265   9.495  -6.871   2.354
   85   2HB   LYS 265          2HB       LYS 265   9.266  -8.185   3.497
   86   1HG   LYS 265          1HG       LYS 265  11.259  -9.296   2.620
   87   2HG   LYS 265          2HG       LYS 265  11.491  -7.970   1.482
   88   1HD   LYS 265          1HD       LYS 265  11.685  -6.409   3.388
   89   2HD   LYS 265          2HD       LYS 265  11.537  -7.778   4.492
   90   1HE   LYS 265          1HE       LYS 265  13.559  -8.768   3.512
   91   2HE   LYS 265          2HE       LYS 265  13.711  -7.373   2.445
   92   1HZ   LYS 265          1HZ       LYS 265  15.144  -6.965   4.235
   93   2HZ   LYS 265          2HZ       LYS 265  14.009  -7.458   5.388
   94   3HZ   LYS 265          3HZ       LYS 265  13.786  -6.006   4.550
   95    H    ALA 266           H        ALA 266   7.439  -6.652   0.936
   96    HA   ALA 266           HA       ALA 266   5.166  -7.072   2.562
   97   1HB   ALA 266          1HB       ALA 266   4.347  -5.118   1.665
   98   2HB   ALA 266          2HB       ALA 266   4.988  -5.458   0.056
   99   3HB   ALA 266          3HB       ALA 266   6.070  -4.922   1.344
  100    H    ILE 267           H        ILE 267   5.953  -7.835  -0.774
  101    HA   ILE 267           HA       ILE 267   3.432  -8.637  -1.661
  102    HB   ILE 267           HB       ILE 267   6.159  -9.576  -2.530
  103   1HG1  ILE 267          1HG1      ILE 267   4.254  -7.519  -3.673
  104   2HG1  ILE 267          2HG1      ILE 267   5.758  -7.174  -2.825
  105   1HG2  ILE 267          1HG2      ILE 267   5.188 -11.087  -3.833
  106   2HG2  ILE 267          2HG2      ILE 267   4.239  -9.815  -4.604
  107   3HG2  ILE 267          3HG2      ILE 267   3.609 -10.645  -3.181
  108   1HD1  ILE 267          1HD1      ILE 267   5.315  -8.177  -5.581
  109   2HD1  ILE 267          2HD1      ILE 267   6.778  -8.672  -4.730
  110   3HD1  ILE 267          3HD1      ILE 267   6.442  -6.959  -4.983
  111    H    GLU 268           H        GLU 268   6.084 -10.643  -0.379
  112    HA   GLU 268           HA       GLU 268   4.701 -13.080  -0.484
  113   1HB   GLU 268          1HB       GLU 268   6.945 -12.268   1.369
  114   2HB   GLU 268          2HB       GLU 268   6.431 -13.917   1.047
  115   1HG   GLU 268          1HG       GLU 268   7.622 -12.000  -0.945
  116   2HG   GLU 268          2HG       GLU 268   8.427 -13.383  -0.207
  117    H    LEU 269           H        LEU 269   5.125 -10.779   2.195
  118    HA   LEU 269           HA       LEU 269   3.811 -12.221   4.177
  119   1HB   LEU 269          1HB       LEU 269   3.990  -9.242   3.745
  120   2HB   LEU 269          2HB       LEU 269   3.337  -9.974   5.198
  121    HG   LEU 269           HG       LEU 269   6.168 -10.343   4.209
  122   1HD1  LEU 269          1HD1      LEU 269   5.251  -8.044   5.189
  123   2HD1  LEU 269          2HD1      LEU 269   6.859  -8.661   5.569
  124   3HD1  LEU 269          3HD1      LEU 269   5.535  -8.889   6.711
  125   1HD2  LEU 269          1HD2      LEU 269   6.517 -11.782   5.908
  126   2HD2  LEU 269          2HD2      LEU 269   4.774 -12.030   5.802
  127   3HD2  LEU 269          3HD2      LEU 269   5.436 -10.917   6.999
  128    H    SER 270           H        SER 270   2.497  -9.971   1.775
  129    HA   SER 270           HA       SER 270  -0.161 -10.005   2.692
  130   1HB   SER 270          1HB       SER 270   0.894  -9.556  -0.111
  131   2HB   SER 270          2HB       SER 270  -0.742  -9.180   0.432
  132    HG   SER 270           HG       SER 270   1.392  -8.121   1.887
  133    H    LEU 271           H        LEU 271   1.547 -12.017   0.328
  134    HA   LEU 271           HA       LEU 271  -0.615 -13.514  -0.606
  135   1HB   LEU 271          1HB       LEU 271   2.239 -14.410  -0.191
  136   2HB   LEU 271          2HB       LEU 271   1.052 -15.238  -1.180
  137    HG   LEU 271           HG       LEU 271   2.123 -12.464  -1.703
  138   1HD1  LEU 271          1HD1      LEU 271   3.212 -13.546  -3.645
  139   2HD1  LEU 271          2HD1      LEU 271   2.718 -15.114  -3.007
  140   3HD1  LEU 271          3HD1      LEU 271   3.838 -14.103  -2.093
  141   1HD2  LEU 271          1HD2      LEU 271   0.043 -14.153  -3.019
  142   2HD2  LEU 271          2HD2      LEU 271   1.019 -13.048  -3.988
  143   3HD2  LEU 271          3HD2      LEU 271   0.031 -12.425  -2.667
  144    H    LYS 272           H        LYS 272   1.494 -14.045   2.183
  145    HA   LYS 272           HA       LYS 272   0.445 -16.521   2.983
  146   1HB   LYS 272          1HB       LYS 272   2.571 -15.590   3.819
  147   2HB   LYS 272          2HB       LYS 272   1.677 -14.361   4.703
  148   1HG   LYS 272          1HG       LYS 272   2.347 -16.109   6.209
  149   2HG   LYS 272          2HG       LYS 272   0.593 -16.138   6.023
  150   1HD   LYS 272          1HD       LYS 272   0.784 -17.981   4.431
  151   2HD   LYS 272          2HD       LYS 272   2.542 -17.942   4.586
  152   1HE   LYS 272          1HE       LYS 272   2.332 -18.486   6.969
  153   2HE   LYS 272          2HE       LYS 272   0.578 -18.543   6.797
  154   1HZ   LYS 272          1HZ       LYS 272   0.730 -20.637   6.139
  155   2HZ   LYS 272          2HZ       LYS 272   2.405 -20.599   6.365
  156   3HZ   LYS 272          3HZ       LYS 272   1.749 -20.208   4.857
  157    H    GLU 273           H        GLU 273  -0.577 -13.221   3.643
  158    HA   GLU 273           HA       GLU 273  -2.326 -13.640   5.752
  159   1HB   GLU 273          1HB       GLU 273  -2.632 -11.709   3.445
  160   2HB   GLU 273          2HB       GLU 273  -3.516 -11.622   4.962
  161   1HG   GLU 273          1HG       GLU 273  -0.528 -11.399   4.677
  162   2HG   GLU 273          2HG       GLU 273  -1.641 -10.047   4.864
  163    H    SER 274           H        SER 274  -3.080 -13.712   2.262
  164    HA   SER 274           HA       SER 274  -5.771 -14.541   2.639
  165   1HB   SER 274          1HB       SER 274  -5.051 -13.422   0.579
  166   2HB   SER 274          2HB       SER 274  -3.994 -14.782   0.196
  167    HG   SER 274           HG       SER 274  -6.555 -14.493  -0.398
  168    H    ARG 275           H        ARG 275  -6.581 -16.505   3.040
  169    HA   ARG 275           HA       ARG 275  -4.805 -18.722   3.422
  170   1HB   ARG 275          1HB       ARG 275  -6.712 -18.352   4.915
  171   2HB   ARG 275          2HB       ARG 275  -7.821 -18.593   3.572
  172   1HG   ARG 275          1HG       ARG 275  -7.083 -20.897   3.349
  173   2HG   ARG 275          2HG       ARG 275  -5.919 -20.664   4.654
  174   1HD   ARG 275          1HD       ARG 275  -7.761 -20.190   6.200
  175   2HD   ARG 275          2HD       ARG 275  -8.918 -20.435   4.894
  176    HE   ARG 275           HE       ARG 275  -7.330 -22.727   5.102
  177   1HH1  ARG 275          1HH1      ARG 275  -9.740 -21.001   6.933
  178   2HH1  ARG 275          2HH1      ARG 275 -10.331 -22.418   7.735
  179   1HH2  ARG 275          1HH2      ARG 275  -8.101 -24.599   6.154
  180   2HH2  ARG 275          2HH2      ARG 275  -9.398 -24.463   7.294
  181    H    ASN 276           H        ASN 276  -7.635 -18.219   1.296
  182    HA   ASN 276           HA       ASN 276  -7.186 -20.614  -0.168
  183   1HB   ASN 276          1HB       ASN 276  -9.406 -19.596  -0.020
  184   2HB   ASN 276          2HB       ASN 276  -8.828 -18.179  -0.892
  185   1HD2  ASN 276          1HD2      ASN 276  -9.415 -18.149  -2.923
  186   2HD2  ASN 276          2HD2      ASN 276  -9.631 -19.522  -3.949
  187    H    SER 277           H        SER 277  -6.858 -17.204  -1.173
  188    HA   SER 277           HA       SER 277  -4.345 -17.477  -2.362
  189   1HB   SER 277          1HB       SER 277  -5.473 -18.955  -3.967
  190   2HB   SER 277          2HB       SER 277  -6.639 -17.684  -4.331
  191    HG   SER 277           HG       SER 277  -4.199 -18.076  -5.369
  192    H    ALA 278           H        ALA 278  -3.535 -15.501  -2.849
  193    HA   ALA 278           HA       ALA 278  -4.909 -13.191  -2.066
  194   1HB   ALA 278          1HB       ALA 278  -2.318 -13.772  -2.563
  195   2HB   ALA 278          2HB       ALA 278  -2.944 -12.134  -2.370
  196   3HB   ALA 278          3HB       ALA 278  -2.712 -12.806  -3.985
  197   1H    MET   1          1H        MET   1 -14.414   4.216   2.981
  198   2H    MET   1          2H        MET   1 -15.966   3.574   3.182
  199   3H    MET   1          3H        MET   1 -15.041   3.143   1.832
  200    HA   MET   1           HA       MET   1 -15.138   1.931   4.366
  201   1HB   MET   1          1HB       MET   1 -15.166   0.783   2.209
  202   2HB   MET   1          2HB       MET   1 -13.549   1.374   1.853
  203   1HG   MET   1          1HG       MET   1 -12.661   0.087   3.725
  204   2HG   MET   1          2HG       MET   1 -14.282  -0.499   4.092
  205   1HE   MET   1          1HE       MET   1 -11.601  -0.106   1.503
  206   2HE   MET   1          2HE       MET   1 -12.786  -0.293   0.211
  207   3HE   MET   1          3HE       MET   1 -11.631  -1.584   0.542
  208    H    GLN   2           H        GLN   2 -13.693   1.718   5.964
  209    HA   GLN   2           HA       GLN   2 -11.449   3.520   6.037
  210   1HB   GLN   2          1HB       GLN   2 -12.432   1.485   8.043
  211   2HB   GLN   2          2HB       GLN   2 -11.150   2.651   8.340
  212   1HG   GLN   2          1HG       GLN   2 -12.728   4.480   8.011
  213   2HG   GLN   2          2HG       GLN   2 -14.014   3.317   7.698
  214   1HE2  GLN   2          1HE2      GLN   2 -12.123   1.916   9.972
  215   2HE2  GLN   2          2HE2      GLN   2 -12.934   2.447  11.400
  216    H    ILE   3           H        ILE   3  -9.287   3.012   6.134
  217    HA   ILE   3           HA       ILE   3  -8.432   0.236   5.966
  218    HB   ILE   3           HB       ILE   3  -7.015   0.639   3.982
  219   1HG1  ILE   3          1HG1      ILE   3  -8.618   3.187   3.677
  220   2HG1  ILE   3          2HG1      ILE   3  -6.934   3.113   4.183
  221   1HG2  ILE   3          1HG2      ILE   3  -8.612  -0.117   2.595
  222   2HG2  ILE   3          2HG2      ILE   3  -9.671   1.261   2.896
  223   3HG2  ILE   3          3HG2      ILE   3  -9.623  -0.080   4.040
  224   1HD1  ILE   3          1HD1      ILE   3  -6.195   2.523   2.082
  225   2HD1  ILE   3          2HD1      ILE   3  -7.513   3.637   1.721
  226   3HD1  ILE   3          3HD1      ILE   3  -7.768   1.897   1.590
  227    H    PHE   4           H        PHE   4  -6.415  -0.086   6.820
  228    HA   PHE   4           HA       PHE   4  -5.144   2.280   7.982
  229   1HB   PHE   4          1HB       PHE   4  -5.330  -0.556   8.734
  230   2HB   PHE   4          2HB       PHE   4  -3.747   0.167   8.996
  231    HD1  PHE   4           HD1      PHE   4  -3.434   1.927  10.620
  232    HD2  PHE   4           HD2      PHE   4  -7.260   0.167   9.992
  233    HE1  PHE   4           HE1      PHE   4  -4.221   2.894  12.739
  234    HE2  PHE   4           HE2      PHE   4  -8.056   1.137  12.109
  235    HZ   PHE   4           HZ       PHE   4  -6.536   2.501  13.486
  236    H    VAL   5           H        VAL   5  -3.456   3.156   7.032
  237    HA   VAL   5           HA       VAL   5  -1.939   1.727   5.021
  238    HB   VAL   5           HB       VAL   5  -1.501   4.500   6.159
  239   1HG1  VAL   5          1HG1      VAL   5  -0.535   3.601   3.482
  240   2HG1  VAL   5          2HG1      VAL   5   0.387   3.181   4.925
  241   3HG1  VAL   5          3HG1      VAL   5   0.085   4.874   4.534
  242   1HG2  VAL   5          1HG2      VAL   5  -3.671   4.370   5.105
  243   2HG2  VAL   5          2HG2      VAL   5  -2.967   3.613   3.676
  244   3HG2  VAL   5          3HG2      VAL   5  -2.572   5.286   4.074
  245    H    LYS   6           H        LYS   6   0.121   0.883   5.328
  246    HA   LYS   6           HA       LYS   6   1.436   1.444   7.877
  247   1HB   LYS   6          1HB       LYS   6   0.095  -0.521   8.324
  248   2HB   LYS   6          2HB       LYS   6   0.754  -1.331   6.909
  249   1HG   LYS   6          1HG       LYS   6   2.976  -1.313   7.940
  250   2HG   LYS   6          2HG       LYS   6   2.299  -0.521   9.364
  251   1HD   LYS   6          1HD       LYS   6   0.837  -2.451   9.738
  252   2HD   LYS   6          2HD       LYS   6   1.518  -3.241   8.313
  253   1HE   LYS   6          1HE       LYS   6   2.535  -4.088  10.365
  254   2HE   LYS   6          2HE       LYS   6   3.720  -3.255   9.360
  255   1HZ   LYS   6          1HZ       LYS   6   3.045  -2.736  12.021
  256   2HZ   LYS   6          2HZ       LYS   6   2.571  -1.393  11.110
  257   3HZ   LYS   6          3HZ       LYS   6   4.174  -1.927  11.054
  258    H    THR   7           H        THR   7   3.539   1.623   7.767
  259    HA   THR   7           HA       THR   7   4.881   1.096   5.230
  260    HB   THR   7           HB       THR   7   6.773   2.344   6.189
  261    HG1  THR   7           HG1      THR   7   6.610   1.896   8.367
  262   1HG2  THR   7          1HG2      THR   7   5.163   4.454   6.851
  263   2HG2  THR   7          2HG2      THR   7   4.071   3.443   5.905
  264   3HG2  THR   7          3HG2      THR   7   5.595   3.989   5.206
  265    H    LEU   8           H        LEU   8   6.745  -0.219   5.071
  266    HA   LEU   8           HA       LEU   8   6.731  -2.483   6.826
  267   1HB   LEU   8          1HB       LEU   8   8.513  -1.745   4.509
  268   2HB   LEU   8          2HB       LEU   8   8.650  -3.251   5.396
  269    HG   LEU   8           HG       LEU   8   6.217  -2.361   3.842
  270   1HD1  LEU   8          1HD1      LEU   8   7.403  -3.053   2.081
  271   2HD1  LEU   8          2HD1      LEU   8   7.159  -4.678   2.720
  272   3HD1  LEU   8          3HD1      LEU   8   8.641  -3.798   3.093
  273   1HD2  LEU   8          1HD2      LEU   8   5.801  -3.805   5.854
  274   2HD2  LEU   8          2HD2      LEU   8   6.786  -5.047   5.080
  275   3HD2  LEU   8          3HD2      LEU   8   5.292  -4.503   4.316
  276    H    THR   9           H        THR   9   7.249  -0.463   8.481
  277    HA   THR   9           HA       THR   9   9.954  -1.042   9.377
  278    HB   THR   9           HB       THR   9  10.429   1.349   9.847
  279    HG1  THR   9           HG1      THR   9   7.915   1.698   9.291
  280   1HG2  THR   9          1HG2      THR   9  11.114   1.948   7.628
  281   2HG2  THR   9          2HG2      THR   9   9.905   0.882   6.913
  282   3HG2  THR   9          3HG2      THR   9  11.273   0.198   7.791
  283    H    GLY  10           H        GLY  10   6.977   0.821  10.044
  284   1HA   GLY  10          1HA       GLY  10   6.098  -0.386  12.275
  285   2HA   GLY  10          2HA       GLY  10   7.414   0.589  12.906
  286    H    LYS  11           H        LYS  11   4.626   1.035  10.685
  287    HA   LYS  11           HA       LYS  11   3.595   3.137  12.367
  288   1HB   LYS  11          1HB       LYS  11   5.360   4.281  11.049
  289   2HB   LYS  11          2HB       LYS  11   4.520   3.825   9.576
  290   1HG   LYS  11          1HG       LYS  11   4.023   6.118  10.140
  291   2HG   LYS  11          2HG       LYS  11   2.570   5.130  10.296
  292   1HD   LYS  11          1HD       LYS  11   2.869   5.032  12.705
  293   2HD   LYS  11          2HD       LYS  11   4.362   5.962  12.574
  294   1HE   LYS  11          1HE       LYS  11   1.604   6.918  11.812
  295   2HE   LYS  11          2HE       LYS  11   2.490   7.373  13.267
  296   1HZ   LYS  11          1HZ       LYS  11   2.619   9.029  11.452
  297   2HZ   LYS  11          2HZ       LYS  11   3.447   7.898  10.506
  298   3HZ   LYS  11          3HZ       LYS  11   4.136   8.461  11.944
  299    H    THR  12           H        THR  12   1.453   3.304  12.196
  300    HA   THR  12           HA       THR  12   0.084   2.345   9.799
  301    HB   THR  12           HB       THR  12  -1.602   1.253  11.314
  302    HG1  THR  12           HG1      THR  12   0.242   2.111  13.182
  303   1HG2  THR  12          1HG2      THR  12  -0.270  -0.799  11.642
  304   2HG2  THR  12          2HG2      THR  12   1.193   0.124  11.298
  305   3HG2  THR  12          3HG2      THR  12  -0.029  -0.091  10.045
  306    H    ILE  13           H        ILE  13  -1.781   3.477   9.306
  307    HA   ILE  13           HA       ILE  13  -2.895   5.328  11.271
  308    HB   ILE  13           HB       ILE  13  -1.850   6.261   8.596
  309   1HG1  ILE  13          1HG1      ILE  13  -1.019   7.021  11.406
  310   2HG1  ILE  13          2HG1      ILE  13  -0.111   5.963  10.331
  311   1HG2  ILE  13          1HG2      ILE  13  -3.772   7.416  10.511
  312   2HG2  ILE  13          2HG2      ILE  13  -3.619   7.653   8.770
  313   3HG2  ILE  13          3HG2      ILE  13  -2.551   8.518   9.876
  314   1HD1  ILE  13          1HD1      ILE  13   0.399   7.726   8.867
  315   2HD1  ILE  13          2HD1      ILE  13   0.675   8.347  10.495
  316   3HD1  ILE  13          3HD1      ILE  13  -0.788   8.793   9.616
  317    H    THR  14           H        THR  14  -5.033   5.724  11.007
  318    HA   THR  14           HA       THR  14  -6.540   4.085   9.227
  319    HB   THR  14           HB       THR  14  -7.502   6.430  10.883
  320    HG1  THR  14           HG1      THR  14  -6.704   4.990  12.331
  321   1HG2  THR  14          1HG2      THR  14  -9.080   5.724   9.137
  322   2HG2  THR  14          2HG2      THR  14  -9.686   5.349  10.750
  323   3HG2  THR  14          3HG2      THR  14  -9.005   4.070   9.744
  324    H    LEU  15           H        LEU  15  -7.730   4.657   7.407
  325    HA   LEU  15           HA       LEU  15  -7.697   7.410   6.482
  326   1HB   LEU  15          1HB       LEU  15  -5.571   6.174   5.694
  327   2HB   LEU  15          2HB       LEU  15  -6.645   5.282   4.635
  328    HG   LEU  15           HG       LEU  15  -5.569   7.107   3.439
  329   1HD1  LEU  15          1HD1      LEU  15  -7.544   8.213   2.526
  330   2HD1  LEU  15          2HD1      LEU  15  -8.500   7.639   3.894
  331   3HD1  LEU  15          3HD1      LEU  15  -7.817   6.485   2.747
  332   1HD2  LEU  15          1HD2      LEU  15  -6.428   9.474   4.124
  333   2HD2  LEU  15          2HD2      LEU  15  -5.040   8.761   4.945
  334   3HD2  LEU  15          3HD2      LEU  15  -6.629   8.726   5.709
  335    H    GLU  16           H        GLU  16  -9.645   7.855   5.729
  336    HA   GLU  16           HA       GLU  16 -11.438   5.667   5.030
  337   1HB   GLU  16          1HB       GLU  16 -12.169   7.372   6.658
  338   2HB   GLU  16          2HB       GLU  16 -12.017   8.609   5.421
  339   1HG   GLU  16          1HG       GLU  16 -13.809   6.251   5.009
  340   2HG   GLU  16          2HG       GLU  16 -14.341   7.637   5.957
  341    H    VAL  17           H        VAL  17 -12.158   5.246   3.058
  342    HA   VAL  17           HA       VAL  17 -12.191   7.193   0.941
  343    HB   VAL  17           HB       VAL  17 -10.849   5.601  -0.592
  344   1HG1  VAL  17          1HG1      VAL  17  -9.587   7.423  -0.550
  345   2HG1  VAL  17          2HG1      VAL  17  -8.691   6.694   0.784
  346   3HG1  VAL  17          3HG1      VAL  17 -10.045   7.773   1.116
  347   1HG2  VAL  17          1HG2      VAL  17 -10.217   4.555   2.105
  348   2HG2  VAL  17          2HG2      VAL  17  -8.886   4.686   0.956
  349   3HG2  VAL  17          3HG2      VAL  17 -10.306   3.719   0.555
  350    H    GLU  18           H        GLU  18 -13.885   6.790  -0.309
  351    HA   GLU  18           HA       GLU  18 -15.493   4.476   0.072
  352   1HB   GLU  18          1HB       GLU  18 -15.634   6.605  -2.071
  353   2HB   GLU  18          2HB       GLU  18 -16.886   5.418  -1.735
  354   1HG   GLU  18          1HG       GLU  18 -17.181   6.357   0.498
  355   2HG   GLU  18          2HG       GLU  18 -15.923   7.546   0.162
  356    H    SER  19           H        SER  19 -15.811   2.708  -1.233
  357    HA   SER  19           HA       SER  19 -13.700   1.601  -2.602
  358   1HB   SER  19          1HB       SER  19 -15.606   0.274  -1.868
  359   2HB   SER  19          2HB       SER  19 -16.653   1.094  -3.026
  360    HG   SER  19           HG       SER  19 -16.096  -0.579  -4.205
  361    H    SER  20           H        SER  20 -16.225   3.706  -3.814
  362    HA   SER  20           HA       SER  20 -15.769   3.370  -6.565
  363   1HB   SER  20          1HB       SER  20 -16.824   5.788  -5.080
  364   2HB   SER  20          2HB       SER  20 -16.949   5.526  -6.820
  365    HG   SER  20           HG       SER  20 -18.469   4.066  -6.509
  366    H    ASP  21           H        ASP  21 -14.253   5.498  -4.185
  367    HA   ASP  21           HA       ASP  21 -12.876   7.156  -5.980
  368   1HB   ASP  21          1HB       ASP  21 -12.208   6.357  -3.144
  369   2HB   ASP  21          2HB       ASP  21 -11.360   7.615  -4.039
  370    H    THR  22           H        THR  22 -11.103   6.924  -7.152
  371    HA   THR  22           HA       THR  22  -9.919   4.367  -7.507
  372    HB   THR  22           HB       THR  22  -8.364   5.514  -9.046
  373    HG1  THR  22           HG1      THR  22  -8.958   7.630  -7.567
  374   1HG2  THR  22          1HG2      THR  22 -10.611   6.843 -10.106
  375   2HG2  THR  22          2HG2      THR  22 -11.225   5.442  -9.229
  376   3HG2  THR  22          3HG2      THR  22 -10.025   5.227 -10.504
  377    H    ILE  23           H        ILE  23  -7.677   3.827  -7.238
  378    HA   ILE  23           HA       ILE  23  -6.682   4.139  -4.697
  379    HB   ILE  23           HB       ILE  23  -5.119   3.607  -7.226
  380   1HG1  ILE  23          1HG1      ILE  23  -6.922   1.988  -6.788
  381   2HG1  ILE  23          2HG1      ILE  23  -5.335   1.250  -6.601
  382   1HG2  ILE  23          1HG2      ILE  23  -3.246   3.370  -6.045
  383   2HG2  ILE  23          2HG2      ILE  23  -4.067   2.484  -4.761
  384   3HG2  ILE  23          3HG2      ILE  23  -4.078   4.248  -4.762
  385   1HD1  ILE  23          1HD1      ILE  23  -7.255   2.072  -4.446
  386   2HD1  ILE  23          2HD1      ILE  23  -5.578   1.628  -4.129
  387   3HD1  ILE  23          3HD1      ILE  23  -6.683   0.451  -4.839
  388    H    ASP  24           H        ASP  24  -6.040   6.127  -7.544
  389    HA   ASP  24           HA       ASP  24  -3.915   7.651  -6.615
  390   1HB   ASP  24          1HB       ASP  24  -4.729   7.748  -8.925
  391   2HB   ASP  24          2HB       ASP  24  -6.206   8.538  -8.381
  392    H    ASN  25           H        ASN  25  -7.401   8.296  -6.264
  393    HA   ASN  25           HA       ASN  25  -7.199  10.709  -4.872
  394   1HB   ASN  25          1HB       ASN  25  -9.312   9.833  -5.809
  395   2HB   ASN  25          2HB       ASN  25  -9.324   8.570  -4.582
  396   1HD2  ASN  25          1HD2      ASN  25 -10.588  11.466  -5.381
  397   2HD2  ASN  25          2HD2      ASN  25 -11.010  12.053  -3.812
  398    H    VAL  26           H        VAL  26  -7.318   7.376  -3.701
  399    HA   VAL  26           HA       VAL  26  -7.329   7.864  -0.960
  400    HB   VAL  26           HB       VAL  26  -5.878   5.604  -2.351
  401   1HG1  VAL  26          1HG1      VAL  26  -7.098   5.745   0.403
  402   2HG1  VAL  26          2HG1      VAL  26  -5.376   5.871   0.045
  403   3HG1  VAL  26          3HG1      VAL  26  -6.241   4.373  -0.299
  404   1HG2  VAL  26          1HG2      VAL  26  -8.726   5.571  -1.380
  405   2HG2  VAL  26          2HG2      VAL  26  -7.894   4.366  -2.363
  406   3HG2  VAL  26          3HG2      VAL  26  -8.285   5.944  -3.046
  407    H    LYS  27           H        LYS  27  -4.669   7.674  -3.270
  408    HA   LYS  27           HA       LYS  27  -2.539   7.869  -1.456
  409   1HB   LYS  27          1HB       LYS  27  -2.678   8.894  -4.300
  410   2HB   LYS  27          2HB       LYS  27  -1.206   8.625  -3.377
  411   1HG   LYS  27          1HG       LYS  27  -3.175   6.518  -4.239
  412   2HG   LYS  27          2HG       LYS  27  -1.581   6.814  -4.936
  413   1HD   LYS  27          1HD       LYS  27  -0.540   6.253  -2.794
  414   2HD   LYS  27          2HD       LYS  27  -2.133   5.969  -2.091
  415   1HE   LYS  27          1HE       LYS  27  -1.092   3.866  -2.716
  416   2HE   LYS  27          2HE       LYS  27  -2.515   4.168  -3.709
  417   1HZ   LYS  27          1HZ       LYS  27  -0.414   3.350  -4.861
  418   2HZ   LYS  27          2HZ       LYS  27   0.188   4.915  -4.636
  419   3HZ   LYS  27          3HZ       LYS  27  -1.212   4.672  -5.553
  420    H    SER  28           H        SER  28  -4.481  10.327  -3.091
  421    HA   SER  28           HA       SER  28  -3.035  12.595  -2.351
  422   1HB   SER  28          1HB       SER  28  -6.037  12.319  -2.664
  423   2HB   SER  28          2HB       SER  28  -5.140  13.837  -2.675
  424    HG   SER  28           HG       SER  28  -5.268  11.822  -4.610
  425    H    LYS  29           H        LYS  29  -5.759  11.011  -0.679
  426    HA   LYS  29           HA       LYS  29  -5.796  12.709   1.559
  427   1HB   LYS  29          1HB       LYS  29  -6.620   9.822   1.250
  428   2HB   LYS  29          2HB       LYS  29  -6.868  10.733   2.733
  429   1HG   LYS  29          1HG       LYS  29  -8.212  12.370   1.435
  430   2HG   LYS  29          2HG       LYS  29  -8.059  11.312   0.031
  431   1HD   LYS  29          1HD       LYS  29  -9.187   9.526   1.212
  432   2HD   LYS  29          2HD       LYS  29  -9.254  10.501   2.680
  433   1HE   LYS  29          1HE       LYS  29 -11.400  10.512   1.526
  434   2HE   LYS  29          2HE       LYS  29 -10.683  12.123   1.541
  435   1HZ   LYS  29          1HZ       LYS  29  -9.990  11.840  -0.722
  436   2HZ   LYS  29          2HZ       LYS  29 -11.645  11.504  -0.621
  437   3HZ   LYS  29          3HZ       LYS  29 -10.531  10.237  -0.746
  438    H    ILE  30           H        ILE  30  -3.958   9.788   0.859
  439    HA   ILE  30           HA       ILE  30  -2.780   9.447   3.392
  440    HB   ILE  30           HB       ILE  30  -1.742   8.677   0.657
  441   1HG1  ILE  30          1HG1      ILE  30  -3.132   7.033   2.785
  442   2HG1  ILE  30          2HG1      ILE  30  -3.907   7.664   1.336
  443   1HG2  ILE  30          1HG2      ILE  30  -0.110   7.331   1.675
  444   2HG2  ILE  30          2HG2      ILE  30  -0.839   7.503   3.271
  445   3HG2  ILE  30          3HG2      ILE  30  -0.017   8.874   2.525
  446   1HD1  ILE  30          1HD1      ILE  30  -2.562   6.277  -0.064
  447   2HD1  ILE  30          2HD1      ILE  30  -3.269   5.273   1.203
  448   3HD1  ILE  30          3HD1      ILE  30  -1.578   5.764   1.307
  449    H    GLN  31           H        GLN  31  -1.890  11.374   0.590
  450    HA   GLN  31           HA       GLN  31   0.676  12.155   1.417
  451   1HB   GLN  31          1HB       GLN  31  -0.134  12.472  -0.874
  452   2HB   GLN  31          2HB       GLN  31  -1.320  13.639  -0.305
  453   1HG   GLN  31          1HG       GLN  31   0.533  15.085   0.462
  454   2HG   GLN  31          2HG       GLN  31   1.673  13.936  -0.238
  455   1HE2  GLN  31          1HE2      GLN  31   0.200  16.781  -0.765
  456   2HE2  GLN  31          2HE2      GLN  31   0.204  16.815  -2.492
  457    H    ASP  32           H        ASP  32  -2.500  13.682   1.891
  458    HA   ASP  32           HA       ASP  32  -1.569  15.946   3.248
  459   1HB   ASP  32          1HB       ASP  32  -4.235  14.531   3.336
  460   2HB   ASP  32          2HB       ASP  32  -3.925  16.116   4.015
  461    H    LYS  33           H        LYS  33  -2.646  12.778   4.433
  462    HA   LYS  33           HA       LYS  33  -2.518  13.456   7.184
  463   1HB   LYS  33          1HB       LYS  33  -2.468  10.777   5.793
  464   2HB   LYS  33          2HB       LYS  33  -2.584  10.976   7.535
  465   1HG   LYS  33          1HG       LYS  33  -4.573  12.065   5.555
  466   2HG   LYS  33          2HG       LYS  33  -4.752  10.544   6.429
  467   1HD   LYS  33          1HD       LYS  33  -4.493  13.270   7.699
  468   2HD   LYS  33          2HD       LYS  33  -6.002  12.383   7.483
  469   1HE   LYS  33          1HE       LYS  33  -3.633  11.479   9.118
  470   2HE   LYS  33          2HE       LYS  33  -5.141  12.134   9.757
  471   1HZ   LYS  33          1HZ       LYS  33  -4.683   9.541   8.417
  472   2HZ   LYS  33          2HZ       LYS  33  -6.232  10.215   8.509
  473   3HZ   LYS  33          3HZ       LYS  33  -5.387   9.843   9.926
  474    H    GLU  34           H        GLU  34  -0.449  11.104   5.482
  475    HA   GLU  34           HA       GLU  34   1.561  11.224   7.488
  476   1HB   GLU  34          1HB       GLU  34   1.632  10.014   4.723
  477   2HB   GLU  34          2HB       GLU  34   2.857   9.769   5.960
  478   1HG   GLU  34          1HG       GLU  34   1.147   8.756   7.414
  479   2HG   GLU  34          2HG       GLU  34  -0.032   8.941   6.116
  480    H    GLY  35           H        GLY  35   1.295  12.644   4.249
  481   1HA   GLY  35          1HA       GLY  35   2.347  14.652   3.593
  482   2HA   GLY  35          2HA       GLY  35   3.433  14.505   4.967
  483    H    ILE  36           H        ILE  36   2.635  12.292   2.304
  484    HA   ILE  36           HA       ILE  36   5.413  12.434   1.371
  485    HB   ILE  36           HB       ILE  36   3.949   9.856   1.962
  486   1HG1  ILE  36          1HG1      ILE  36   6.437  11.024   3.231
  487   2HG1  ILE  36          2HG1      ILE  36   4.839  11.009   3.968
  488   1HG2  ILE  36          1HG2      ILE  36   6.807   9.799   1.271
  489   2HG2  ILE  36          2HG2      ILE  36   5.718  10.233  -0.047
  490   3HG2  ILE  36          3HG2      ILE  36   5.501   8.707   0.809
  491   1HD1  ILE  36          1HD1      ILE  36   5.668   9.166   4.958
  492   2HD1  ILE  36          2HD1      ILE  36   6.805   8.838   3.651
  493   3HD1  ILE  36          3HD1      ILE  36   5.105   8.402   3.472
  494    HA   PRO  37           HA       PRO  37   3.419  12.783  -2.594
  495   1HB   PRO  37          1HB       PRO  37   5.880  11.424  -3.569
  496   2HB   PRO  37          2HB       PRO  37   5.143  12.937  -4.106
  497   1HG   PRO  37          1HG       PRO  37   7.346  12.957  -2.612
  498   2HG   PRO  37          2HG       PRO  37   6.065  14.159  -2.363
  499   1HD   PRO  37          1HD       PRO  37   6.732  11.731  -0.751
  500   2HD   PRO  37          2HD       PRO  37   6.174  13.328  -0.210
  501    HA   PRO  38           HA       PRO  38   1.475   8.808  -3.032
  502   1HB   PRO  38          1HB       PRO  38   1.011   9.722  -5.824
  503   2HB   PRO  38          2HB       PRO  38  -0.144   9.133  -4.625
  504   1HG   PRO  38          1HG       PRO  38   0.000  11.725  -5.217
  505   2HG   PRO  38          2HG       PRO  38  -0.277  11.183  -3.551
  506   1HD   PRO  38          1HD       PRO  38   2.217  12.233  -4.817
  507   2HD   PRO  38          2HD       PRO  38   1.588  12.491  -3.176
  508    H    ASP  39           H        ASP  39   3.391   9.946  -5.820
  509    HA   ASP  39           HA       ASP  39   3.901   7.407  -6.901
  510   1HB   ASP  39          1HB       ASP  39   5.525   9.949  -7.124
  511   2HB   ASP  39          2HB       ASP  39   5.730   8.527  -8.143
  512    H    GLN  40           H        GLN  40   5.833   9.406  -4.694
  513    HA   GLN  40           HA       GLN  40   8.114   7.858  -4.530
  514   1HB   GLN  40          1HB       GLN  40   7.876  10.078  -3.504
  515   2HB   GLN  40          2HB       GLN  40   6.778   9.409  -2.306
  516   1HG   GLN  40          1HG       GLN  40   8.929   9.683  -1.312
  517   2HG   GLN  40          2HG       GLN  40   8.610   7.960  -1.496
  518   1HE2  GLN  40          1HE2      GLN  40  10.917  10.239  -1.779
  519   2HE2  GLN  40          2HE2      GLN  40  11.945   9.490  -2.947
  520    H    GLN  41           H        GLN  41   5.162   7.575  -2.564
  521    HA   GLN  41           HA       GLN  41   6.183   5.218  -1.232
  522   1HB   GLN  41          1HB       GLN  41   3.995   5.244  -0.056
  523   2HB   GLN  41          2HB       GLN  41   4.886   6.754   0.085
  524   1HG   GLN  41          1HG       GLN  41   3.488   7.730  -1.675
  525   2HG   GLN  41          2HG       GLN  41   2.583   6.221  -1.780
  526   1HE2  GLN  41          1HE2      GLN  41   2.506   9.237  -0.562
  527   2HE2  GLN  41          2HE2      GLN  41   1.455   8.996   0.788
  528    H    ARG  42           H        ARG  42   5.670   3.145  -1.616
  529    HA   ARG  42           HA       ARG  42   3.786   2.585  -3.813
  530   1HB   ARG  42          1HB       ARG  42   6.309   1.168  -2.969
  531   2HB   ARG  42          2HB       ARG  42   5.110   0.401  -3.999
  532   1HG   ARG  42          1HG       ARG  42   5.409   2.115  -5.679
  533   2HG   ARG  42          2HG       ARG  42   6.546   2.970  -4.635
  534   1HD   ARG  42          1HD       ARG  42   8.105   1.145  -4.747
  535   2HD   ARG  42          2HD       ARG  42   6.943   0.149  -5.622
  536    HE   ARG  42           HE       ARG  42   8.715   2.055  -6.739
  537   1HH1  ARG  42          1HH1      ARG  42   5.484   0.786  -7.066
  538   2HH1  ARG  42          2HH1      ARG  42   5.371   1.158  -8.753
  539   1HH2  ARG  42          1HH2      ARG  42   8.572   2.549  -8.960
  540   2HH2  ARG  42          2HH2      ARG  42   7.126   2.161  -9.830
  541    H    LEU  43           H        LEU  43   2.057   1.352  -3.376
  542    HA   LEU  43           HA       LEU  43   1.872   0.203  -0.689
  543   1HB   LEU  43          1HB       LEU  43  -0.216   1.026  -2.687
  544   2HB   LEU  43          2HB       LEU  43  -0.606   0.054  -1.281
  545    HG   LEU  43           HG       LEU  43  -1.111   2.399  -0.873
  546   1HD1  LEU  43          1HD1      LEU  43   0.795   2.637   1.037
  547   2HD1  LEU  43          2HD1      LEU  43   0.876   0.910   0.692
  548   3HD1  LEU  43          3HD1      LEU  43  -0.651   1.639   1.187
  549   1HD2  LEU  43          1HD2      LEU  43   0.872   3.092  -2.449
  550   2HD2  LEU  43          2HD2      LEU  43   1.777   3.125  -0.936
  551   3HD2  LEU  43          3HD2      LEU  43   0.351   4.144  -1.133
  552    H    ILE  44           H        ILE  44   1.551  -1.892  -0.294
  553    HA   ILE  44           HA       ILE  44   1.366  -3.721  -2.599
  554    HB   ILE  44           HB       ILE  44   2.729  -4.271   0.038
  555   1HG1  ILE  44          1HG1      ILE  44   3.923  -2.591  -1.377
  556   2HG1  ILE  44          2HG1      ILE  44   4.836  -4.070  -1.107
  557   1HG2  ILE  44          1HG2      ILE  44   3.556  -6.289  -1.056
  558   2HG2  ILE  44          2HG2      ILE  44   2.641  -5.879  -2.507
  559   3HG2  ILE  44          3HG2      ILE  44   1.793  -6.258  -1.007
  560   1HD1  ILE  44          1HD1      ILE  44   4.718  -4.701  -3.283
  561   2HD1  ILE  44          2HD1      ILE  44   4.670  -2.949  -3.479
  562   3HD1  ILE  44          3HD1      ILE  44   3.178  -3.887  -3.558
  563    H    PHE  45           H        PHE  45  -0.095  -5.362  -2.497
  564    HA   PHE  45           HA       PHE  45  -1.393  -6.132  -0.059
  565   1HB   PHE  45          1HB       PHE  45  -2.631  -4.062  -0.577
  566   2HB   PHE  45          2HB       PHE  45  -3.024  -4.699  -2.171
  567    HD1  PHE  45           HD1      PHE  45  -5.281  -5.117  -2.261
  568    HD2  PHE  45           HD2      PHE  45  -3.116  -6.231   1.228
  569    HE1  PHE  45           HE1      PHE  45  -7.308  -6.166  -1.342
  570    HE2  PHE  45           HE2      PHE  45  -5.138  -7.283   2.153
  571    HZ   PHE  45           HZ       PHE  45  -7.238  -7.251   0.867
  572    H    ALA  46           H        ALA  46  -2.124  -8.180  -0.212
  573    HA   ALA  46           HA       ALA  46  -2.387 -10.276  -1.072
  574   1HB   ALA  46          1HB       ALA  46  -4.367  -8.866  -2.044
  575   2HB   ALA  46          2HB       ALA  46  -4.066 -10.502  -2.629
  576   3HB   ALA  46          3HB       ALA  46  -3.526  -9.114  -3.574
  577    H    GLY  47           H        GLY  47   0.118  -9.010  -1.562
  578   1HA   GLY  47          1HA       GLY  47   2.054  -9.389  -2.724
  579   2HA   GLY  47          2HA       GLY  47   1.254 -10.797  -3.407
  580    H    LYS  48           H        LYS  48   0.239  -7.431  -3.750
  581    HA   LYS  48           HA       LYS  48   1.275  -7.257  -6.451
  582   1HB   LYS  48          1HB       LYS  48  -1.703  -7.254  -5.917
  583   2HB   LYS  48          2HB       LYS  48  -0.961  -6.770  -7.434
  584   1HG   LYS  48          1HG       LYS  48  -0.080  -9.021  -7.737
  585   2HG   LYS  48          2HG       LYS  48  -0.792  -9.512  -6.199
  586   1HD   LYS  48          1HD       LYS  48  -2.208 -10.223  -8.035
  587   2HD   LYS  48          2HD       LYS  48  -3.027  -8.978  -7.088
  588   1HE   LYS  48          1HE       LYS  48  -2.367  -7.296  -8.745
  589   2HE   LYS  48          2HE       LYS  48  -1.562  -8.547  -9.691
  590   1HZ   LYS  48          1HZ       LYS  48  -4.145  -7.757  -9.974
  591   2HZ   LYS  48          2HZ       LYS  48  -4.289  -9.188  -9.083
  592   3HZ   LYS  48          3HZ       LYS  48  -3.485  -9.196 -10.571
  593    H    GLN  49           H        GLN  49   1.638  -5.189  -7.061
  594    HA   GLN  49           HA       GLN  49   1.364  -3.123  -5.111
  595   1HB   GLN  49          1HB       GLN  49   2.303  -3.115  -7.978
  596   2HB   GLN  49          2HB       GLN  49   2.256  -1.663  -6.991
  597   1HG   GLN  49          1HG       GLN  49   4.479  -2.508  -6.977
  598   2HG   GLN  49          2HG       GLN  49   3.782  -2.768  -5.382
  599   1HE2  GLN  49          1HE2      GLN  49   5.529  -4.141  -7.828
  600   2HE2  GLN  49          2HE2      GLN  49   5.336  -5.806  -7.414
  601    H    LEU  50           H        LEU  50  -0.167  -1.595  -4.899
  602    HA   LEU  50           HA       LEU  50  -2.606  -1.835  -6.348
  603   1HB   LEU  50          1HB       LEU  50  -1.597   0.167  -4.345
  604   2HB   LEU  50          2HB       LEU  50  -3.166   0.334  -5.107
  605    HG   LEU  50           HG       LEU  50  -3.806  -1.886  -4.175
  606   1HD1  LEU  50          1HD1      LEU  50  -2.180  -3.228  -3.476
  607   2HD1  LEU  50          2HD1      LEU  50  -2.048  -2.190  -2.055
  608   3HD1  LEU  50          3HD1      LEU  50  -1.006  -1.911  -3.451
  609   1HD2  LEU  50          1HD2      LEU  50  -4.417   0.208  -3.061
  610   2HD2  LEU  50          2HD2      LEU  50  -2.915   0.151  -2.139
  611   3HD2  LEU  50          3HD2      LEU  50  -4.142  -1.094  -1.903
  612    H    GLU  51           H        GLU  51  -3.197  -0.938  -8.200
  613    HA   GLU  51           HA       GLU  51  -1.462   1.031  -9.457
  614   1HB   GLU  51          1HB       GLU  51  -3.894  -0.415 -10.525
  615   2HB   GLU  51          2HB       GLU  51  -2.853   0.648 -11.461
  616   1HG   GLU  51          1HG       GLU  51  -0.974  -0.868 -11.098
  617   2HG   GLU  51          2HG       GLU  51  -2.017  -1.934 -10.158
  618    H    ASP  52           H        ASP  52  -1.940   3.133  -9.702
  619    HA   ASP  52           HA       ASP  52  -3.896   4.379  -8.161
  620   1HB   ASP  52          1HB       ASP  52  -2.464   5.433 -10.608
  621   2HB   ASP  52          2HB       ASP  52  -3.361   6.419  -9.458
  622    H    GLY  53           H        GLY  53  -3.905   3.670 -11.649
  623   1HA   GLY  53          1HA       GLY  53  -6.523   4.799 -12.021
  624   2HA   GLY  53          2HA       GLY  53  -5.590   3.913 -13.214
  625    H    ARG  54           H        ARG  54  -6.791   2.916 -10.001
  626    HA   ARG  54           HA       ARG  54  -8.634   1.064 -11.291
  627   1HB   ARG  54          1HB       ARG  54  -6.397   0.214  -9.461
  628   2HB   ARG  54          2HB       ARG  54  -7.800  -0.788  -9.787
  629   1HG   ARG  54          1HG       ARG  54  -5.857   0.206 -11.860
  630   2HG   ARG  54          2HG       ARG  54  -5.868  -1.412 -11.155
  631   1HD   ARG  54          1HD       ARG  54  -8.200  -1.683 -12.006
  632   2HD   ARG  54          2HD       ARG  54  -8.024  -0.140 -12.837
  633    HE   ARG  54           HE       ARG  54  -7.117  -2.631 -13.756
  634   1HH1  ARG  54          1HH1      ARG  54  -6.034   0.675 -13.517
  635   2HH1  ARG  54          2HH1      ARG  54  -5.004   0.570 -14.905
  636   1HH2  ARG  54          1HH2      ARG  54  -5.761  -2.774 -15.575
  637   2HH2  ARG  54          2HH2      ARG  54  -4.844  -1.391 -16.069
  638    H    THR  55           H        THR  55 -10.443   0.700 -10.168
  639    HA   THR  55           HA       THR  55 -10.966   2.304  -7.848
  640    HB   THR  55           HB       THR  55 -13.241   1.361  -7.954
  641    HG1  THR  55           HG1      THR  55 -12.786   0.038 -10.340
  642   1HG2  THR  55          1HG2      THR  55 -12.299   2.112 -10.718
  643   2HG2  THR  55          2HG2      THR  55 -12.496   3.278  -9.410
  644   3HG2  THR  55          3HG2      THR  55 -13.891   2.381 -10.009
  645    H    LEU  56           H        LEU  56 -11.514   1.618  -5.781
  646    HA   LEU  56           HA       LEU  56 -10.042  -0.464  -4.669
  647   1HB   LEU  56          1HB       LEU  56 -12.588   0.734  -3.572
  648   2HB   LEU  56          2HB       LEU  56 -11.374  -0.135  -2.654
  649    HG   LEU  56           HG       LEU  56 -10.992   2.542  -3.999
  650   1HD1  LEU  56          1HD1      LEU  56 -11.571   1.685  -1.199
  651   2HD1  LEU  56          2HD1      LEU  56 -12.246   3.024  -2.128
  652   3HD1  LEU  56          3HD1      LEU  56 -10.605   3.131  -1.493
  653   1HD2  LEU  56          1HD2      LEU  56  -8.956   1.134  -3.974
  654   2HD2  LEU  56          2HD2      LEU  56  -9.098   1.016  -2.221
  655   3HD2  LEU  56          3HD2      LEU  56  -8.816   2.583  -2.979
  656    H    SER  57           H        SER  57 -13.390  -0.383  -5.771
  657    HA   SER  57           HA       SER  57 -14.329  -2.782  -4.782
  658   1HB   SER  57          1HB       SER  57 -15.943  -2.748  -6.636
  659   2HB   SER  57          2HB       SER  57 -15.746  -1.140  -5.937
  660    HG   SER  57           HG       SER  57 -14.454  -2.091  -8.280
  661    H    ASP  58           H        ASP  58 -12.363  -2.209  -7.658
  662    HA   ASP  58           HA       ASP  58 -12.550  -4.687  -8.882
  663   1HB   ASP  58          1HB       ASP  58 -11.419  -2.782  -9.915
  664   2HB   ASP  58          2HB       ASP  58 -10.138  -2.870  -8.710
  665    H    TYR  59           H        TYR  59 -10.206  -3.646  -6.414
  666    HA   TYR  59           HA       TYR  59  -8.980  -6.221  -6.233
  667   1HB   TYR  59          1HB       TYR  59  -8.816  -3.853  -4.357
  668   2HB   TYR  59          2HB       TYR  59  -7.792  -5.282  -4.279
  669    HD1  TYR  59           HD1      TYR  59  -5.711  -5.147  -5.249
  670    HD2  TYR  59           HD2      TYR  59  -8.827  -2.677  -6.761
  671    HE1  TYR  59           HE1      TYR  59  -4.116  -4.089  -6.792
  672    HE2  TYR  59           HE2      TYR  59  -7.242  -1.616  -8.309
  673    HH   TYR  59           HH       TYR  59  -5.042  -1.346  -8.795
  674    H    ASN  60           H        ASN  60 -11.725  -4.738  -4.774
  675    HA   ASN  60           HA       ASN  60 -13.279  -5.481  -3.288
  676   1HB   ASN  60          1HB       ASN  60 -11.916  -8.152  -3.715
  677   2HB   ASN  60          2HB       ASN  60 -13.446  -7.925  -2.874
  678   1HD2  ASN  60          1HD2      ASN  60 -15.156  -8.334  -4.052
  679   2HD2  ASN  60          2HD2      ASN  60 -15.287  -8.152  -5.765
  680    H    ILE  61           H        ILE  61 -10.983  -4.263  -2.318
  681    HA   ILE  61           HA       ILE  61  -9.700  -5.630  -0.225
  682    HB   ILE  61           HB       ILE  61 -10.213  -2.661  -0.469
  683   1HG1  ILE  61          1HG1      ILE  61  -7.853  -4.315  -1.400
  684   2HG1  ILE  61          2HG1      ILE  61  -9.092  -3.633  -2.449
  685   1HG2  ILE  61          1HG2      ILE  61  -9.031  -2.372   1.392
  686   2HG2  ILE  61          2HG2      ILE  61  -7.741  -3.422   0.803
  687   3HG2  ILE  61          3HG2      ILE  61  -9.125  -4.114   1.649
  688   1HD1  ILE  61          1HD1      ILE  61  -7.402  -2.105  -2.663
  689   2HD1  ILE  61          2HD1      ILE  61  -6.888  -2.272  -0.984
  690   3HD1  ILE  61          3HD1      ILE  61  -8.359  -1.380  -1.372
  691    H    GLN  62           H        GLN  62 -10.381  -6.217   1.731
  692    HA   GLN  62           HA       GLN  62 -13.048  -5.576   2.589
  693   1HB   GLN  62          1HB       GLN  62 -12.608  -7.065   4.474
  694   2HB   GLN  62          2HB       GLN  62 -12.147  -7.820   2.957
  695   1HG   GLN  62          1HG       GLN  62 -10.209  -6.472   4.818
  696   2HG   GLN  62          2HG       GLN  62 -10.568  -8.197   4.843
  697   1HE2  GLN  62          1HE2      GLN  62  -8.360  -6.073   3.864
  698   2HE2  GLN  62          2HE2      GLN  62  -7.728  -6.879   2.474
  699    H    LYS  63           H        LYS  63 -13.674  -4.435   4.414
  700    HA   LYS  63           HA       LYS  63 -12.372  -2.072   4.981
  701   1HB   LYS  63          1HB       LYS  63 -13.855  -1.889   6.941
  702   2HB   LYS  63          2HB       LYS  63 -14.719  -2.415   5.503
  703   1HG   LYS  63          1HG       LYS  63 -14.628  -4.729   6.311
  704   2HG   LYS  63          2HG       LYS  63 -13.802  -4.173   7.766
  705   1HD   LYS  63          1HD       LYS  63 -16.550  -3.287   6.891
  706   2HD   LYS  63          2HD       LYS  63 -16.228  -4.522   8.109
  707   1HE   LYS  63          1HE       LYS  63 -15.026  -2.848   9.456
  708   2HE   LYS  63          2HE       LYS  63 -15.402  -1.622   8.247
  709   1HZ   LYS  63          1HZ       LYS  63 -17.537  -3.171   9.579
  710   2HZ   LYS  63          2HZ       LYS  63 -17.653  -1.686   8.777
  711   3HZ   LYS  63          3HZ       LYS  63 -16.893  -1.774  10.285
  712    H    GLU  64           H        GLU  64 -11.085  -1.314   6.635
  713    HA   GLU  64           HA       GLU  64  -9.422  -1.328   8.176
  714   1HB   GLU  64          1HB       GLU  64 -10.730  -3.904   9.067
  715   2HB   GLU  64          2HB       GLU  64  -9.502  -3.029   9.971
  716   1HG   GLU  64          1HG       GLU  64 -12.228  -1.972   9.252
  717   2HG   GLU  64          2HG       GLU  64 -11.757  -2.618  10.822
  718    H    SER  65           H        SER  65  -8.816  -2.287   5.643
  719    HA   SER  65           HA       SER  65  -7.185  -4.669   5.971
  720   1HB   SER  65          1HB       SER  65  -8.454  -4.415   3.898
  721   2HB   SER  65          2HB       SER  65  -7.629  -2.894   3.560
  722    HG   SER  65           HG       SER  65  -6.858  -5.321   2.895
  723    H    THR  66           H        THR  66  -4.985  -4.739   5.981
  724    HA   THR  66           HA       THR  66  -3.620  -2.214   6.503
  725    HB   THR  66           HB       THR  66  -2.614  -5.056   6.759
  726    HG1  THR  66           HG1      THR  66  -2.888  -4.623   9.010
  727   1HG2  THR  66          1HG2      THR  66  -0.775  -3.516   6.377
  728   2HG2  THR  66          2HG2      THR  66  -0.779  -4.035   8.062
  729   3HG2  THR  66          3HG2      THR  66  -1.387  -2.436   7.630
  730    H    LEU  67           H        LEU  67  -2.469  -1.200   4.996
  731    HA   LEU  67           HA       LEU  67  -1.660  -2.695   2.598
  732   1HB   LEU  67          1HB       LEU  67  -2.259   0.214   3.048
  733   2HB   LEU  67          2HB       LEU  67  -1.403  -0.346   1.625
  734    HG   LEU  67           HG       LEU  67  -3.730  -0.029   1.097
  735   1HD1  LEU  67          1HD1      LEU  67  -3.501  -2.992   1.267
  736   2HD1  LEU  67          2HD1      LEU  67  -2.355  -2.080   0.285
  737   3HD1  LEU  67          3HD1      LEU  67  -4.082  -1.980  -0.056
  738   1HD2  LEU  67          1HD2      LEU  67  -5.321  -0.371   2.599
  739   2HD2  LEU  67          2HD2      LEU  67  -4.154  -1.116   3.691
  740   3HD2  LEU  67          3HD2      LEU  67  -5.015  -2.106   2.513
  741    H    HIS  68           H        HIS  68   0.450  -2.953   2.131
  742    HA   HIS  68           HA       HIS  68   2.402  -1.954   4.021
  743   1HB   HIS  68          1HB       HIS  68   2.704  -3.693   1.571
  744   2HB   HIS  68          2HB       HIS  68   4.012  -3.299   2.679
  745    HD1  HIS  68           HD1      HIS  68   3.213  -3.954   5.339
  746    HD2  HIS  68           HD2      HIS  68   1.665  -6.110   2.142
  747    HE1  HIS  68           HE1      HIS  68   2.422  -6.131   6.317
  748    HE2  HIS  68           HE2      HIS  68   1.606  -7.466   4.344
  749    H    LEU  69           H        LEU  69   4.010  -0.464   3.636
  750    HA   LEU  69           HA       LEU  69   3.858   0.958   1.056
  751   1HB   LEU  69          1HB       LEU  69   2.915   2.189   3.039
  752   2HB   LEU  69          2HB       LEU  69   4.527   2.195   3.726
  753    HG   LEU  69           HG       LEU  69   3.976   3.410   1.028
  754   1HD1  LEU  69          1HD1      LEU  69   4.202   5.429   2.990
  755   2HD1  LEU  69          2HD1      LEU  69   2.952   4.308   3.530
  756   3HD1  LEU  69          3HD1      LEU  69   2.829   5.069   1.944
  757   1HD2  LEU  69          1HD2      LEU  69   6.328   2.908   1.860
  758   2HD2  LEU  69          2HD2      LEU  69   6.052   4.160   3.070
  759   3HD2  LEU  69          3HD2      LEU  69   6.002   4.565   1.355
  760    H    VAL  70           H        VAL  70   5.733   1.493   0.035
  761    HA   VAL  70           HA       VAL  70   8.285   0.961   1.385
  762    HB   VAL  70           HB       VAL  70   7.705  -0.006  -1.421
  763   1HG1  VAL  70          1HG1      VAL  70   9.840  -1.134  -1.254
  764   2HG1  VAL  70          2HG1      VAL  70  10.042  -0.554   0.403
  765   3HG1  VAL  70          3HG1      VAL  70  10.044   0.592  -0.936
  766   1HG2  VAL  70          1HG2      VAL  70   7.706  -1.518   1.181
  767   2HG2  VAL  70          2HG2      VAL  70   7.901  -2.302  -0.389
  768   3HG2  VAL  70          3HG2      VAL  70   6.419  -1.417  -0.022
  769    H    LEU  71           H        LEU  71   9.583   2.668   1.150
  770    HA   LEU  71           HA       LEU  71   8.878   4.816  -0.609
  771   1HB   LEU  71          1HB       LEU  71  11.275   4.422   1.181
  772   2HB   LEU  71          2HB       LEU  71  10.933   5.897   0.301
  773    HG   LEU  71           HG       LEU  71  10.256   6.223   2.564
  774   1HD1  LEU  71          1HD1      LEU  71   8.605   6.638   0.448
  775   2HD1  LEU  71          2HD1      LEU  71   8.320   7.229   2.085
  776   3HD1  LEU  71          3HD1      LEU  71   7.559   5.733   1.543
  777   1HD2  LEU  71          1HD2      LEU  71   8.583   3.729   2.298
  778   2HD2  LEU  71          2HD2      LEU  71   8.646   4.795   3.702
  779   3HD2  LEU  71          3HD2      LEU  71  10.075   3.877   3.226
  780    H    ARG  72           H        ARG  72   9.629   5.291  -2.570
  781    HA   ARG  72           HA       ARG  72  11.309   3.444  -3.964
  782   1HB   ARG  72          1HB       ARG  72  10.261   6.161  -4.777
  783   2HB   ARG  72          2HB       ARG  72  11.111   5.060  -5.849
  784   1HG   ARG  72          1HG       ARG  72   9.317   3.405  -5.542
  785   2HG   ARG  72          2HG       ARG  72   8.456   4.559  -4.518
  786   1HD   ARG  72          1HD       ARG  72   8.352   6.136  -6.386
  787   2HD   ARG  72          2HD       ARG  72   9.215   4.989  -7.408
  788    HE   ARG  72           HE       ARG  72   6.918   3.744  -6.385
  789   1HH1  ARG  72          1HH1      ARG  72   7.830   6.264  -8.613
  790   2HH1  ARG  72          2HH1      ARG  72   6.418   6.081  -9.599
  791   1HH2  ARG  72          1HH2      ARG  72   5.054   3.499  -7.680
  792   2HH2  ARG  72          2HH2      ARG  72   4.842   4.511  -9.070
  793    H    LEU  73           H        LEU  73  13.120   3.671  -2.400
  794    HA   LEU  73           HA       LEU  73  15.264   4.265  -1.965
  795   1HB   LEU  73          1HB       LEU  73  14.944   5.875  -4.495
  796   2HB   LEU  73          2HB       LEU  73  16.448   5.762  -3.604
  797    HG   LEU  73           HG       LEU  73  16.368   3.270  -3.959
  798   1HD1  LEU  73          1HD1      LEU  73  13.880   4.052  -5.308
  799   2HD1  LEU  73          2HD1      LEU  73  14.348   2.515  -4.583
  800   3HD1  LEU  73          3HD1      LEU  73  14.903   2.931  -6.204
  801   1HD2  LEU  73          1HD2      LEU  73  17.543   5.123  -5.400
  802   2HD2  LEU  73          2HD2      LEU  73  16.386   4.598  -6.624
  803   3HD2  LEU  73          3HD2      LEU  73  17.521   3.440  -5.929
  804    H    ARG  74           H        ARG  74  16.087   5.604  -0.495
  805    HA   ARG  74           HA       ARG  74  14.569   7.726   0.532
  806   1HB   ARG  74          1HB       ARG  74  17.490   7.069   0.949
  807   2HB   ARG  74          2HB       ARG  74  16.563   8.200   1.927
  808   1HG   ARG  74          1HG       ARG  74  15.087   6.387   2.633
  809   2HG   ARG  74          2HG       ARG  74  16.009   5.252   1.645
  810   1HD   ARG  74          1HD       ARG  74  17.088   6.854   3.962
  811   2HD   ARG  74          2HD       ARG  74  16.659   5.144   4.005
  812    HE   ARG  74           HE       ARG  74  18.510   5.534   1.946
  813   1HH1  ARG  74          1HH1      ARG  74  18.346   5.678   5.424
  814   2HH1  ARG  74          2HH1      ARG  74  20.014   5.269   5.648
  815   1HH2  ARG  74          1HH2      ARG  74  20.708   4.993   2.233
  816   2HH2  ARG  74          2HH2      ARG  74  21.355   4.880   3.835
  817    H    GLY  75           H        GLY  75  14.552   9.868   0.171
  818   1HA   GLY  75          1HA       GLY  75  15.629  10.916  -2.211
  819   2HA   GLY  75          2HA       GLY  75  14.920  11.859  -0.909
  820    H    GLY  76           H        GLY  76  17.481  11.921  -2.699
  821   1HA   GLY  76          1HA       GLY  76  19.612  12.744  -2.475
  822   2HA   GLY  76          2HA       GLY  76  19.077  13.395  -0.933
  Start of MODEL   16
    1   1H    TYR 255          1H        TYR 255  25.477   4.792   6.787
    2   2H    TYR 255          2H        TYR 255  24.033   5.343   7.475
    3   3H    TYR 255          3H        TYR 255  25.200   6.453   6.958
    4    HA   TYR 255           HA       TYR 255  24.188   6.579   5.020
    5   1HB   TYR 255          1HB       TYR 255  24.972   3.661   4.939
    6   2HB   TYR 255          2HB       TYR 255  24.344   4.528   3.544
    7    HD1  TYR 255           HD1      TYR 255  26.927   5.264   6.164
    8    HD2  TYR 255           HD2      TYR 255  25.984   5.038   2.021
    9    HE1  TYR 255           HE1      TYR 255  29.200   6.018   5.611
   10    HE2  TYR 255           HE2      TYR 255  28.257   5.791   1.458
   11    HH   TYR 255           HH       TYR 255  30.532   5.767   2.558
   12    HA   PRO 256           HA       PRO 256  19.921   5.568   5.741
   13   1HB   PRO 256          1HB       PRO 256  18.913   6.403   3.349
   14   2HB   PRO 256          2HB       PRO 256  19.368   7.509   4.649
   15   1HG   PRO 256          1HG       PRO 256  20.900   6.733   2.199
   16   2HG   PRO 256          2HG       PRO 256  20.701   8.334   2.935
   17   1HD   PRO 256          1HD       PRO 256  22.934   6.860   3.283
   18   2HD   PRO 256          2HD       PRO 256  22.301   7.931   4.550
   19    H    GLU 257           H        GLU 257  18.789   3.732   5.513
   20    HA   GLU 257           HA       GLU 257  19.729   1.603   3.931
   21   1HB   GLU 257          1HB       GLU 257  18.429   1.331   6.027
   22   2HB   GLU 257          2HB       GLU 257  16.999   1.919   5.193
   23   1HG   GLU 257          1HG       GLU 257  16.920  -0.473   5.322
   24   2HG   GLU 257          2HG       GLU 257  17.149   0.012   3.643
   25    H    ASP 258           H        ASP 258  19.177   0.848   1.960
   26    HA   ASP 258           HA       ASP 258  18.026   2.563   0.064
   27   1HB   ASP 258          1HB       ASP 258  19.609   0.768  -0.515
   28   2HB   ASP 258          2HB       ASP 258  18.398  -0.437  -0.091
   29    H    GLU 259           H        GLU 259  16.669  -0.164   1.859
   30    HA   GLU 259           HA       GLU 259  14.225  -0.397   0.542
   31   1HB   GLU 259          1HB       GLU 259  15.230  -1.920   2.316
   32   2HB   GLU 259          2HB       GLU 259  14.633  -0.777   3.509
   33   1HG   GLU 259          1HG       GLU 259  12.917  -2.240   1.520
   34   2HG   GLU 259          2HG       GLU 259  13.170  -2.733   3.192
   35    H    GLU 260           H        GLU 260  15.139   1.622   3.309
   36    HA   GLU 260           HA       GLU 260  12.642   2.749   3.838
   37   1HB   GLU 260          1HB       GLU 260  15.371   4.010   4.165
   38   2HB   GLU 260          2HB       GLU 260  13.891   4.569   4.931
   39   1HG   GLU 260          1HG       GLU 260  15.152   1.872   5.374
   40   2HG   GLU 260          2HG       GLU 260  15.330   3.265   6.438
   41    H    GLU 261           H        GLU 261  15.160   3.690   1.556
   42    HA   GLU 261           HA       GLU 261  14.156   6.158   0.752
   43   1HB   GLU 261          1HB       GLU 261  16.367   5.371   0.100
   44   2HB   GLU 261          2HB       GLU 261  15.652   4.090  -0.869
   45   1HG   GLU 261          1HG       GLU 261  14.664   5.749  -2.353
   46   2HG   GLU 261          2HG       GLU 261  15.354   7.043  -1.374
   47    H    LEU 262           H        LEU 262  13.447   2.917  -0.518
   48    HA   LEU 262           HA       LEU 262  11.711   3.762  -2.569
   49   1HB   LEU 262          1HB       LEU 262  11.951   1.154  -1.082
   50   2HB   LEU 262          2HB       LEU 262  10.834   1.387  -2.414
   51    HG   LEU 262           HG       LEU 262  13.817   1.771  -2.657
   52   1HD1  LEU 262          1HD1      LEU 262  14.109  -0.403  -3.158
   53   2HD1  LEU 262          2HD1      LEU 262  12.532  -0.545  -3.937
   54   3HD1  LEU 262          3HD1      LEU 262  12.659  -0.623  -2.179
   55   1HD2  LEU 262          1HD2      LEU 262  11.590   1.568  -4.684
   56   2HD2  LEU 262          2HD2      LEU 262  13.311   1.581  -5.076
   57   3HD2  LEU 262          3HD2      LEU 262  12.568   2.990  -4.320
   58    H    ILE 263           H        ILE 263  11.056   2.677   0.759
   59    HA   ILE 263           HA       ILE 263   8.270   2.810   0.643
   60    HB   ILE 263           HB       ILE 263  10.240   2.980   2.865
   61   1HG1  ILE 263          1HG1      ILE 263   7.913   1.146   2.294
   62   2HG1  ILE 263          2HG1      ILE 263   9.604   0.806   1.940
   63   1HG2  ILE 263          1HG2      ILE 263   8.305   3.077   4.479
   64   2HG2  ILE 263          2HG2      ILE 263   7.308   3.599   3.121
   65   3HG2  ILE 263          3HG2      ILE 263   8.674   4.585   3.641
   66   1HD1  ILE 263          1HD1      ILE 263   9.240   1.502   4.714
   67   2HD1  ILE 263          2HD1      ILE 263   9.955   0.059   3.995
   68   3HD1  ILE 263          3HD1      ILE 263   8.211   0.149   4.243
   69    H    ARG 264           H        ARG 264  10.529   5.325   1.833
   70    HA   ARG 264           HA       ARG 264   8.508   7.243   2.224
   71   1HB   ARG 264          1HB       ARG 264  10.330   8.903   2.315
   72   2HB   ARG 264          2HB       ARG 264  10.604   7.512   3.350
   73   1HG   ARG 264          1HG       ARG 264  12.680   7.852   2.419
   74   2HG   ARG 264          2HG       ARG 264  12.001   6.616   1.362
   75   1HD   ARG 264          1HD       ARG 264  11.424   8.279  -0.286
   76   2HD   ARG 264          2HD       ARG 264  11.942   9.575   0.790
   77    HE   ARG 264           HE       ARG 264  13.585   8.112  -0.962
   78   1HH1  ARG 264          1HH1      ARG 264  13.569   9.386   2.285
   79   2HH1  ARG 264          2HH1      ARG 264  15.292   9.537   2.371
   80   1HH2  ARG 264          1HH2      ARG 264  15.855   8.309  -0.854
   81   2HH2  ARG 264          2HH2      ARG 264  16.591   8.926   0.587
   82    H    LYS 265           H        LYS 265  10.378   6.347  -0.595
   83    HA   LYS 265           HA       LYS 265   9.918   8.565  -2.224
   84   1HB   LYS 265          1HB       LYS 265  11.384   6.713  -2.898
   85   2HB   LYS 265          2HB       LYS 265   9.997   5.636  -2.994
   86   1HG   LYS 265          1HG       LYS 265   9.075   7.009  -4.811
   87   2HG   LYS 265          2HG       LYS 265  10.499   8.047  -4.730
   88   1HD   LYS 265          1HD       LYS 265  10.545   5.088  -5.326
   89   2HD   LYS 265          2HD       LYS 265  10.629   6.365  -6.540
   90   1HE   LYS 265          1HE       LYS 265  12.608   5.923  -4.307
   91   2HE   LYS 265          2HE       LYS 265  12.846   5.474  -5.996
   92   1HZ   LYS 265          1HZ       LYS 265  13.670   7.490  -6.311
   93   2HZ   LYS 265          2HZ       LYS 265  13.260   7.980  -4.745
   94   3HZ   LYS 265          3HZ       LYS 265  12.140   8.144  -6.002
   95    H    ALA 266           H        ALA 266   7.999   5.631  -1.745
   96    HA   ALA 266           HA       ALA 266   5.820   6.396  -3.372
   97   1HB   ALA 266          1HB       ALA 266   6.294   4.066  -2.615
   98   2HB   ALA 266          2HB       ALA 266   4.625   4.575  -2.351
   99   3HB   ALA 266          3HB       ALA 266   5.758   4.530  -1.000
  100    H    ILE 267           H        ILE 267   6.638   6.914   0.006
  101    HA   ILE 267           HA       ILE 267   4.194   7.859   0.946
  102    HB   ILE 267           HB       ILE 267   6.983   8.624   1.796
  103   1HG1  ILE 267          1HG1      ILE 267   4.960   6.696   2.961
  104   2HG1  ILE 267          2HG1      ILE 267   6.408   6.247   2.069
  105   1HG2  ILE 267          1HG2      ILE 267   4.710   8.953   3.657
  106   2HG2  ILE 267          2HG2      ILE 267   4.845  10.139   2.359
  107   3HG2  ILE 267          3HG2      ILE 267   6.184   9.906   3.484
  108   1HD1  ILE 267          1HD1      ILE 267   7.412   6.095   4.039
  109   2HD1  ILE 267          2HD1      ILE 267   6.080   6.908   4.863
  110   3HD1  ILE 267          3HD1      ILE 267   7.358   7.857   4.102
  111    H    GLU 268           H        GLU 268   6.883   9.650  -0.530
  112    HA   GLU 268           HA       GLU 268   5.674  12.196  -0.328
  113   1HB   GLU 268          1HB       GLU 268   7.790  11.208  -2.243
  114   2HB   GLU 268          2HB       GLU 268   7.365  12.895  -1.994
  115   1HG   GLU 268          1HG       GLU 268   8.065  12.718   0.345
  116   2HG   GLU 268          2HG       GLU 268   8.511  11.034   0.076
  117    H    LEU 269           H        LEU 269   5.791   9.797  -2.938
  118    HA   LEU 269           HA       LEU 269   4.487  11.273  -4.914
  119   1HB   LEU 269          1HB       LEU 269   4.372   8.297  -4.412
  120   2HB   LEU 269          2HB       LEU 269   3.891   9.088  -5.900
  121    HG   LEU 269           HG       LEU 269   6.691   9.055  -4.769
  122   1HD1  LEU 269          1HD1      LEU 269   6.187   6.875  -5.548
  123   2HD1  LEU 269          2HD1      LEU 269   7.126   7.659  -6.817
  124   3HD1  LEU 269          3HD1      LEU 269   5.378   7.501  -6.984
  125   1HD2  LEU 269          1HD2      LEU 269   5.903   9.928  -7.525
  126   2HD2  LEU 269          2HD2      LEU 269   7.393  10.249  -6.638
  127   3HD2  LEU 269          3HD2      LEU 269   5.899  11.063  -6.176
  128    H    SER 270           H        SER 270   3.153   9.210  -2.362
  129    HA   SER 270           HA       SER 270   0.451   9.443  -3.175
  130   1HB   SER 270          1HB       SER 270   1.161   7.615  -1.740
  131   2HB   SER 270          2HB       SER 270   1.635   8.754  -0.477
  132    HG   SER 270           HG       SER 270  -0.346   8.238   0.149
  133    H    LEU 271           H        LEU 271   2.419  11.230  -0.828
  134    HA   LEU 271           HA       LEU 271   0.391  12.798   0.280
  135   1HB   LEU 271          1HB       LEU 271   3.324  13.361  -0.117
  136   2HB   LEU 271          2HB       LEU 271   2.258  14.435   0.768
  137    HG   LEU 271           HG       LEU 271   2.819  11.561   1.508
  138   1HD1  LEU 271          1HD1      LEU 271   4.319  13.953   1.964
  139   2HD1  LEU 271          2HD1      LEU 271   4.672  12.302   2.471
  140   3HD1  LEU 271          3HD1      LEU 271   3.689  13.348   3.496
  141   1HD2  LEU 271          1HD2      LEU 271   0.946  11.749   2.700
  142   2HD2  LEU 271          2HD2      LEU 271   0.806  13.470   2.343
  143   3HD2  LEU 271          3HD2      LEU 271   1.801  12.928   3.694
  144    H    LYS 272           H        LYS 272   2.339  13.309  -2.632
  145    HA   LYS 272           HA       LYS 272   1.583  15.926  -3.208
  146   1HB   LYS 272          1HB       LYS 272   2.209  13.655  -5.103
  147   2HB   LYS 272          2HB       LYS 272   2.073  15.340  -5.587
  148   1HG   LYS 272          1HG       LYS 272   4.064  14.270  -3.597
  149   2HG   LYS 272          2HG       LYS 272   4.401  14.614  -5.294
  150   1HD   LYS 272          1HD       LYS 272   3.832  16.968  -4.929
  151   2HD   LYS 272          2HD       LYS 272   3.489  16.623  -3.232
  152   1HE   LYS 272          1HE       LYS 272   5.813  15.932  -2.905
  153   2HE   LYS 272          2HE       LYS 272   6.154  16.265  -4.602
  154   1HZ   LYS 272          1HZ       LYS 272   5.502  18.196  -2.457
  155   2HZ   LYS 272          2HZ       LYS 272   5.396  18.609  -4.094
  156   3HZ   LYS 272          3HZ       LYS 272   6.881  18.140  -3.435
  157    H    GLU 273           H        GLU 273   0.011  12.878  -4.127
  158    HA   GLU 273           HA       GLU 273  -2.096  14.095  -5.589
  159   1HB   GLU 273          1HB       GLU 273  -1.441  11.743  -5.899
  160   2HB   GLU 273          2HB       GLU 273  -1.986  11.377  -4.269
  161   1HG   GLU 273          1HG       GLU 273  -4.268  11.953  -4.889
  162   2HG   GLU 273          2HG       GLU 273  -3.731  12.353  -6.520
  163    H    SER 274           H        SER 274  -1.810  12.910  -2.268
  164    HA   SER 274           HA       SER 274  -4.502  13.627  -1.570
  165   1HB   SER 274          1HB       SER 274  -2.163  12.813   0.171
  166   2HB   SER 274          2HB       SER 274  -3.832  12.971   0.718
  167    HG   SER 274           HG       SER 274  -3.472  11.370  -1.499
  168    H    ARG 275           H        ARG 275  -3.773  15.889  -2.550
  169    HA   ARG 275           HA       ARG 275  -2.263  17.699  -1.101
  170   1HB   ARG 275          1HB       ARG 275  -3.220  18.058  -3.382
  171   2HB   ARG 275          2HB       ARG 275  -4.791  18.317  -2.640
  172   1HG   ARG 275          1HG       ARG 275  -2.437  19.985  -1.849
  173   2HG   ARG 275          2HG       ARG 275  -3.363  20.354  -3.303
  174   1HD   ARG 275          1HD       ARG 275  -4.501  20.126  -0.517
  175   2HD   ARG 275          2HD       ARG 275  -4.130  21.637  -1.346
  176    HE   ARG 275           HE       ARG 275  -5.847  20.120  -2.961
  177   1HH1  ARG 275          1HH1      ARG 275  -5.873  21.875   0.050
  178   2HH1  ARG 275          2HH1      ARG 275  -7.560  22.256  -0.040
  179   1HH2  ARG 275          1HH2      ARG 275  -8.065  20.615  -3.087
  180   2HH2  ARG 275          2HH2      ARG 275  -8.807  21.537  -1.822
  181    H    ASN 276           H        ASN 276  -5.640  16.752  -0.669
  182    HA   ASN 276           HA       ASN 276  -5.613  17.465   2.083
  183   1HB   ASN 276          1HB       ASN 276  -5.831  19.726   1.055
  184   2HB   ASN 276          2HB       ASN 276  -7.324  19.201   0.289
  185   1HD2  ASN 276          1HD2      ASN 276  -7.044  17.740   3.278
  186   2HD2  ASN 276          2HD2      ASN 276  -8.005  18.841   4.197
  187    H    SER 277           H        SER 277  -7.635  16.905  -0.774
  188    HA   SER 277           HA       SER 277  -8.948  14.699   0.518
  189   1HB   SER 277          1HB       SER 277 -10.582  17.142  -0.215
  190   2HB   SER 277          2HB       SER 277 -11.236  15.592   0.315
  191    HG   SER 277           HG       SER 277 -10.636  16.004   2.320
  192    H    ALA 278           H        ALA 278  -7.388  14.599  -1.663
  193    HA   ALA 278           HA       ALA 278  -9.097  13.477  -3.631
  194   1HB   ALA 278          1HB       ALA 278  -8.263  15.045  -5.489
  195   2HB   ALA 278          2HB       ALA 278  -7.919  16.179  -4.183
  196   3HB   ALA 278          3HB       ALA 278  -9.568  15.611  -4.446
  197   1H    MET   1          1H        MET   1 -15.190  -2.561  -1.912
  198   2H    MET   1          2H        MET   1 -16.231  -2.626  -3.244
  199   3H    MET   1          3H        MET   1 -16.557  -1.565  -1.968
  200    HA   MET   1           HA       MET   1 -15.591  -0.531  -4.021
  201   1HB   MET   1          1HB       MET   1 -15.644   0.550  -1.818
  202   2HB   MET   1          2HB       MET   1 -14.145  -0.256  -1.377
  203   1HG   MET   1          1HG       MET   1 -12.952   0.961  -3.097
  204   2HG   MET   1          2HG       MET   1 -14.452   1.726  -3.618
  205   1HE   MET   1          1HE       MET   1 -11.739   1.828  -0.425
  206   2HE   MET   1          2HE       MET   1 -13.115   0.735  -0.268
  207   3HE   MET   1          3HE       MET   1 -13.052   2.217   0.687
  208    H    GLN   2           H        GLN   2 -14.026  -0.578  -5.522
  209    HA   GLN   2           HA       GLN   2 -11.922  -2.577  -5.240
  210   1HB   GLN   2          1HB       GLN   2 -11.551  -2.231  -7.643
  211   2HB   GLN   2          2HB       GLN   2 -13.230  -2.616  -7.293
  212   1HG   GLN   2          1HG       GLN   2 -13.804  -0.243  -7.471
  213   2HG   GLN   2          2HG       GLN   2 -12.122   0.128  -7.843
  214   1HE2  GLN   2          1HE2      GLN   2 -15.064  -0.311  -9.172
  215   2HE2  GLN   2          2HE2      GLN   2 -14.608  -0.794 -10.767
  216    H    ILE   3           H        ILE   3  -9.727  -2.149  -5.533
  217    HA   ILE   3           HA       ILE   3  -8.857   0.627  -5.708
  218    HB   ILE   3           HB       ILE   3  -7.337   0.381  -3.764
  219   1HG1  ILE   3          1HG1      ILE   3  -8.981  -2.087  -3.155
  220   2HG1  ILE   3          2HG1      ILE   3  -7.317  -2.103  -3.730
  221   1HG2  ILE   3          1HG2      ILE   3  -9.963   1.117  -3.786
  222   2HG2  ILE   3          2HG2      ILE   3  -8.859   1.339  -2.428
  223   3HG2  ILE   3          3HG2      ILE   3  -9.928  -0.063  -2.476
  224   1HD1  ILE   3          1HD1      ILE   3  -6.665  -0.858  -1.686
  225   2HD1  ILE   3          2HD1      ILE   3  -7.326  -2.462  -1.371
  226   3HD1  ILE   3          3HD1      ILE   3  -8.322  -1.031  -1.107
  227    H    PHE   4           H        PHE   4  -6.894   0.858  -6.698
  228    HA   PHE   4           HA       PHE   4  -5.735  -1.581  -7.791
  229   1HB   PHE   4          1HB       PHE   4  -5.549   1.316  -8.492
  230   2HB   PHE   4          2HB       PHE   4  -4.267   0.228  -9.012
  231    HD1  PHE   4           HD1      PHE   4  -7.826   1.065  -9.359
  232    HD2  PHE   4           HD2      PHE   4  -4.634  -1.407 -10.705
  233    HE1  PHE   4           HE1      PHE   4  -9.179   0.375 -11.297
  234    HE2  PHE   4           HE2      PHE   4  -5.974  -2.100 -12.643
  235    HZ   PHE   4           HZ       PHE   4  -8.252  -1.206 -12.944
  236    H    VAL   5           H        VAL   5  -3.929  -2.484  -7.111
  237    HA   VAL   5           HA       VAL   5  -2.393  -1.205  -5.007
  238    HB   VAL   5           HB       VAL   5  -2.074  -3.944  -6.250
  239   1HG1  VAL   5          1HG1      VAL   5  -1.004  -3.854  -3.650
  240   2HG1  VAL   5          2HG1      VAL   5  -0.377  -2.442  -4.500
  241   3HG1  VAL   5          3HG1      VAL   5  -0.135  -4.054  -5.172
  242   1HG2  VAL   5          1HG2      VAL   5  -2.986  -4.578  -3.902
  243   2HG2  VAL   5          2HG2      VAL   5  -4.112  -4.060  -5.157
  244   3HG2  VAL   5          3HG2      VAL   5  -3.616  -2.930  -3.896
  245    H    LYS   6           H        LYS   6  -0.465  -0.271  -5.278
  246    HA   LYS   6           HA       LYS   6   0.889  -0.571  -7.879
  247   1HB   LYS   6          1HB       LYS   6  -0.149   1.632  -7.704
  248   2HB   LYS   6          2HB       LYS   6   0.636   1.904  -6.156
  249   1HG   LYS   6          1HG       LYS   6   1.802   3.134  -7.840
  250   2HG   LYS   6          2HG       LYS   6   2.830   1.805  -7.303
  251   1HD   LYS   6          1HD       LYS   6   2.215   0.511  -9.268
  252   2HD   LYS   6          2HD       LYS   6   1.123   1.795  -9.791
  253   1HE   LYS   6          1HE       LYS   6   4.114   2.032  -9.476
  254   2HE   LYS   6          2HE       LYS   6   3.246   1.875 -11.002
  255   1HZ   LYS   6          1HZ       LYS   6   3.858   4.181 -10.478
  256   2HZ   LYS   6          2HZ       LYS   6   2.897   4.118  -9.088
  257   3HZ   LYS   6          3HZ       LYS   6   2.183   3.979 -10.615
  258    H    THR   7           H        THR   7   2.796  -1.550  -7.654
  259    HA   THR   7           HA       THR   7   4.116  -1.536  -5.054
  260    HB   THR   7           HB       THR   7   5.601  -3.260  -6.024
  261    HG1  THR   7           HG1      THR   7   4.457  -2.370  -8.331
  262   1HG2  THR   7          1HG2      THR   7   3.333  -3.751  -4.959
  263   2HG2  THR   7          2HG2      THR   7   4.033  -5.016  -5.971
  264   3HG2  THR   7          3HG2      THR   7   2.743  -3.994  -6.604
  265    H    LEU   8           H        LEU   8   6.743  -2.039  -6.037
  266    HA   LEU   8           HA       LEU   8   7.597   0.692  -6.486
  267   1HB   LEU   8          1HB       LEU   8   9.145  -1.853  -6.012
  268   2HB   LEU   8          2HB       LEU   8   9.868  -0.262  -6.163
  269    HG   LEU   8           HG       LEU   8   7.859  -0.985  -4.030
  270   1HD1  LEU   8          1HD1      LEU   8  10.227  -0.631  -2.747
  271   2HD1  LEU   8          2HD1      LEU   8  10.745  -1.459  -4.215
  272   3HD1  LEU   8          3HD1      LEU   8   9.535  -2.197  -3.166
  273   1HD2  LEU   8          1HD2      LEU   8   9.711   1.369  -4.371
  274   2HD2  LEU   8          2HD2      LEU   8   8.690   1.064  -2.965
  275   3HD2  LEU   8          3HD2      LEU   8   7.956   1.384  -4.536
  276    H    THR   9           H        THR   9   7.663  -2.409  -8.166
  277    HA   THR   9           HA       THR   9   9.235  -1.448 -10.362
  278    HB   THR   9           HB       THR   9   9.279  -3.811  -9.763
  279    HG1  THR   9           HG1      THR   9   9.289  -2.924 -12.105
  280   1HG2  THR   9          1HG2      THR   9   7.466  -5.142  -9.557
  281   2HG2  THR   9          2HG2      THR   9   6.642  -4.407 -10.931
  282   3HG2  THR   9          3HG2      THR   9   6.608  -3.614  -9.356
  283    H    GLY  10           H        GLY  10   6.912   0.175  -9.851
  284   1HA   GLY  10          1HA       GLY  10   5.170   1.188 -10.951
  285   2HA   GLY  10          2HA       GLY  10   6.050   0.744 -12.404
  286    H    LYS  11           H        LYS  11   4.616  -1.507 -10.098
  287    HA   LYS  11           HA       LYS  11   2.971  -2.575 -12.272
  288   1HB   LYS  11          1HB       LYS  11   4.442  -4.138 -11.056
  289   2HB   LYS  11          2HB       LYS  11   3.606  -3.751  -9.559
  290   1HG   LYS  11          1HG       LYS  11   1.553  -4.701 -10.421
  291   2HG   LYS  11          2HG       LYS  11   2.327  -5.014 -11.975
  292   1HD   LYS  11          1HD       LYS  11   2.225  -7.043 -10.620
  293   2HD   LYS  11          2HD       LYS  11   3.895  -6.546 -10.890
  294   1HE   LYS  11          1HE       LYS  11   3.931  -5.511  -8.663
  295   2HE   LYS  11          2HE       LYS  11   2.272  -6.043  -8.396
  296   1HZ   LYS  11          1HZ       LYS  11   4.363  -7.436  -7.597
  297   2HZ   LYS  11          2HZ       LYS  11   4.205  -8.090  -9.149
  298   3HZ   LYS  11          3HZ       LYS  11   2.911  -8.171  -8.063
  299    H    THR  12           H        THR  12   0.773  -2.637 -12.215
  300    HA   THR  12           HA       THR  12  -0.591  -1.698  -9.793
  301    HB   THR  12           HB       THR  12  -1.174  -0.617 -12.559
  302    HG1  THR  12           HG1      THR  12   0.381   0.723 -12.032
  303   1HG2  THR  12          1HG2      THR  12  -2.337   0.949 -10.520
  304   2HG2  THR  12          2HG2      THR  12  -2.742  -0.730 -10.164
  305   3HG2  THR  12          3HG2      THR  12  -3.159  -0.035 -11.731
  306    H    ILE  13           H        ILE  13  -2.376  -2.858  -9.315
  307    HA   ILE  13           HA       ILE  13  -3.799  -4.275 -11.436
  308    HB   ILE  13           HB       ILE  13  -2.423  -5.680  -9.159
  309   1HG1  ILE  13          1HG1      ILE  13  -2.426  -6.076 -12.157
  310   2HG1  ILE  13          2HG1      ILE  13  -1.113  -5.407 -11.194
  311   1HG2  ILE  13          1HG2      ILE  13  -3.632  -7.733  -9.961
  312   2HG2  ILE  13          2HG2      ILE  13  -4.698  -6.661 -10.870
  313   3HG2  ILE  13          3HG2      ILE  13  -4.631  -6.554  -9.110
  314   1HD1  ILE  13          1HD1      ILE  13  -2.104  -8.226 -11.301
  315   2HD1  ILE  13          2HD1      ILE  13  -1.086  -7.639  -9.986
  316   3HD1  ILE  13          3HD1      ILE  13  -0.490  -7.606 -11.645
  317    H    THR  14           H        THR  14  -5.911  -4.623 -11.047
  318    HA   THR  14           HA       THR  14  -7.249  -3.146  -9.075
  319    HB   THR  14           HB       THR  14  -8.330  -5.521 -10.608
  320    HG1  THR  14           HG1      THR  14  -7.886  -4.193 -12.224
  321   1HG2  THR  14          1HG2      THR  14 -10.501  -4.338 -10.317
  322   2HG2  THR  14          2HG2      THR  14  -9.692  -3.194  -9.247
  323   3HG2  THR  14          3HG2      THR  14  -9.798  -4.897  -8.800
  324    H    LEU  15           H        LEU  15  -8.218  -3.709  -7.150
  325    HA   LEU  15           HA       LEU  15  -8.070  -6.453  -6.208
  326   1HB   LEU  15          1HB       LEU  15  -5.899  -5.504  -5.567
  327   2HB   LEU  15          2HB       LEU  15  -6.714  -4.190  -4.738
  328    HG   LEU  15           HG       LEU  15  -7.736  -5.868  -3.197
  329   1HD1  LEU  15          1HD1      LEU  15  -7.269  -8.097  -3.266
  330   2HD1  LEU  15          2HD1      LEU  15  -5.711  -7.862  -4.060
  331   3HD1  LEU  15          3HD1      LEU  15  -7.204  -7.732  -4.991
  332   1HD2  LEU  15          1HD2      LEU  15  -5.921  -4.739  -2.287
  333   2HD2  LEU  15          2HD2      LEU  15  -4.772  -5.492  -3.394
  334   3HD2  LEU  15          3HD2      LEU  15  -5.482  -6.436  -2.084
  335    H    GLU  16           H        GLU  16 -10.128  -6.755  -5.693
  336    HA   GLU  16           HA       GLU  16 -11.800  -4.640  -4.691
  337   1HB   GLU  16          1HB       GLU  16 -12.718  -6.325  -6.198
  338   2HB   GLU  16          2HB       GLU  16 -12.325  -7.596  -5.050
  339   1HG   GLU  16          1HG       GLU  16 -14.685  -7.063  -4.979
  340   2HG   GLU  16          2HG       GLU  16 -13.906  -6.654  -3.452
  341    H    VAL  17           H        VAL  17 -12.338  -4.206  -2.635
  342    HA   VAL  17           HA       VAL  17 -11.995  -6.193  -0.548
  343    HB   VAL  17           HB       VAL  17 -10.651  -4.668   0.892
  344   1HG1  VAL  17          1HG1      VAL  17  -8.481  -5.075  -0.254
  345   2HG1  VAL  17          2HG1      VAL  17  -9.382  -5.587  -1.682
  346   3HG1  VAL  17          3HG1      VAL  17  -9.525  -6.495  -0.176
  347   1HG2  VAL  17          1HG2      VAL  17 -10.003  -2.619   0.273
  348   2HG2  VAL  17          2HG2      VAL  17 -11.237  -2.759  -0.978
  349   3HG2  VAL  17          3HG2      VAL  17  -9.558  -3.150  -1.349
  350    H    GLU  18           H        GLU  18 -13.546  -5.998   0.934
  351    HA   GLU  18           HA       GLU  18 -15.489  -3.911   0.708
  352   1HB   GLU  18          1HB       GLU  18 -15.203  -6.074   2.802
  353   2HB   GLU  18          2HB       GLU  18 -16.617  -5.055   2.571
  354   1HG   GLU  18          1HG       GLU  18 -16.944  -6.002   0.348
  355   2HG   GLU  18          2HG       GLU  18 -15.520  -7.018   0.570
  356    H    SER  19           H        SER  19 -15.868  -2.191   2.036
  357    HA   SER  19           HA       SER  19 -13.768  -0.934   3.318
  358   1HB   SER  19          1HB       SER  19 -16.727  -0.594   3.867
  359   2HB   SER  19          2HB       SER  19 -15.464   0.549   4.323
  360    HG   SER  19           HG       SER  19 -15.165   0.049   1.751
  361    H    SER  20           H        SER  20 -16.165  -3.152   4.631
  362    HA   SER  20           HA       SER  20 -15.631  -2.790   7.357
  363   1HB   SER  20          1HB       SER  20 -17.595  -4.009   6.584
  364   2HB   SER  20          2HB       SER  20 -16.570  -5.271   5.902
  365    HG   SER  20           HG       SER  20 -17.537  -5.569   8.111
  366    H    ASP  21           H        ASP  21 -14.193  -5.035   5.007
  367    HA   ASP  21           HA       ASP  21 -12.576  -6.467   6.770
  368   1HB   ASP  21          1HB       ASP  21 -12.113  -5.779   3.863
  369   2HB   ASP  21          2HB       ASP  21 -11.167  -6.959   4.765
  370    H    THR  22           H        THR  22 -10.686  -6.099   7.756
  371    HA   THR  22           HA       THR  22  -9.685  -3.435   7.910
  372    HB   THR  22           HB       THR  22  -7.984  -4.369   9.427
  373    HG1  THR  22           HG1      THR  22  -7.453  -6.384   9.062
  374   1HG2  THR  22          1HG2      THR  22  -9.579  -4.175  10.967
  375   2HG2  THR  22          2HG2      THR  22 -10.067  -5.838  10.643
  376   3HG2  THR  22          3HG2      THR  22 -10.820  -4.511   9.759
  377    H    ILE  23           H        ILE  23  -6.864  -4.166   8.192
  378    HA   ILE  23           HA       ILE  23  -6.094  -3.820   5.431
  379    HB   ILE  23           HB       ILE  23  -4.382  -3.979   7.916
  380   1HG1  ILE  23          1HG1      ILE  23  -5.943  -2.079   7.947
  381   2HG1  ILE  23          2HG1      ILE  23  -4.281  -1.532   7.755
  382   1HG2  ILE  23          1HG2      ILE  23  -3.716  -3.933   5.114
  383   2HG2  ILE  23          2HG2      ILE  23  -2.664  -4.121   6.517
  384   3HG2  ILE  23          3HG2      ILE  23  -3.079  -2.509   5.936
  385   1HD1  ILE  23          1HD1      ILE  23  -4.670  -1.258   5.349
  386   2HD1  ILE  23          2HD1      ILE  23  -5.763  -0.274   6.323
  387   3HD1  ILE  23          3HD1      ILE  23  -6.345  -1.762   5.576
  388    H    ASP  24           H        ASP  24  -5.628  -6.246   7.970
  389    HA   ASP  24           HA       ASP  24  -3.857  -7.948   6.708
  390   1HB   ASP  24          1HB       ASP  24  -6.133  -8.573   8.590
  391   2HB   ASP  24          2HB       ASP  24  -4.947  -9.771   8.080
  392    H    ASN  25           H        ASN  25  -7.372  -7.769   6.331
  393    HA   ASN  25           HA       ASN  25  -7.730 -10.063   4.774
  394   1HB   ASN  25          1HB       ASN  25  -9.582  -8.727   5.739
  395   2HB   ASN  25          2HB       ASN  25  -9.244  -7.449   4.576
  396   1HD2  ASN  25          1HD2      ASN  25 -11.239  -9.923   5.213
  397   2HD2  ASN  25          2HD2      ASN  25 -11.741 -10.337   3.612
  398    H    VAL  26           H        VAL  26  -7.005  -6.727   3.820
  399    HA   VAL  26           HA       VAL  26  -7.011  -7.093   1.047
  400    HB   VAL  26           HB       VAL  26  -5.320  -5.178   2.666
  401   1HG1  VAL  26          1HG1      VAL  26  -4.375  -4.703   0.702
  402   2HG1  VAL  26          2HG1      VAL  26  -5.922  -3.985   0.255
  403   3HG1  VAL  26          3HG1      VAL  26  -5.562  -5.653  -0.192
  404   1HG2  VAL  26          1HG2      VAL  26  -7.492  -3.882   1.419
  405   2HG2  VAL  26          2HG2      VAL  26  -7.213  -4.121   3.143
  406   3HG2  VAL  26          3HG2      VAL  26  -8.139  -5.309   2.228
  407    H    LYS  27           H        LYS  27  -4.406  -7.426   3.428
  408    HA   LYS  27           HA       LYS  27  -2.330  -7.973   1.611
  409   1HB   LYS  27          1HB       LYS  27  -2.668  -8.846   4.483
  410   2HB   LYS  27          2HB       LYS  27  -1.176  -8.993   3.566
  411   1HG   LYS  27          1HG       LYS  27  -2.583  -6.430   4.285
  412   2HG   LYS  27          2HG       LYS  27  -1.104  -7.059   5.013
  413   1HD   LYS  27          1HD       LYS  27   0.014  -6.902   2.824
  414   2HD   LYS  27          2HD       LYS  27  -1.462  -6.220   2.135
  415   1HE   LYS  27          1HE       LYS  27   0.082  -4.439   2.663
  416   2HE   LYS  27          2HE       LYS  27  -1.311  -4.354   3.740
  417   1HZ   LYS  27          1HZ       LYS  27  -0.030  -5.368   5.481
  418   2HZ   LYS  27          2HZ       LYS  27   0.818  -4.029   4.893
  419   3HZ   LYS  27          3HZ       LYS  27   1.294  -5.591   4.451
  420    H    SER  28           H        SER  28  -4.654 -10.076   3.234
  421    HA   SER  28           HA       SER  28  -3.559 -12.545   2.519
  422   1HB   SER  28          1HB       SER  28  -5.375 -12.318   4.159
  423   2HB   SER  28          2HB       SER  28  -6.477 -11.811   2.878
  424    HG   SER  28           HG       SER  28  -6.005 -13.902   1.893
  425    H    LYS  29           H        LYS  29  -5.958 -10.526   0.846
  426    HA   LYS  29           HA       LYS  29  -6.350 -12.252  -1.345
  427   1HB   LYS  29          1HB       LYS  29  -6.616  -9.241  -1.276
  428   2HB   LYS  29          2HB       LYS  29  -7.328 -10.317  -2.471
  429   1HG   LYS  29          1HG       LYS  29  -8.630 -11.384  -0.636
  430   2HG   LYS  29          2HG       LYS  29  -8.010 -10.143   0.454
  431   1HD   LYS  29          1HD       LYS  29 -10.204  -9.503  -0.324
  432   2HD   LYS  29          2HD       LYS  29  -8.999  -8.414  -1.015
  433   1HE   LYS  29          1HE       LYS  29 -10.656  -9.077  -2.683
  434   2HE   LYS  29          2HE       LYS  29  -9.049  -9.667  -3.105
  435   1HZ   LYS  29          1HZ       LYS  29 -10.510 -11.446  -3.481
  436   2HZ   LYS  29          2HZ       LYS  29 -11.329 -11.213  -2.021
  437   3HZ   LYS  29          3HZ       LYS  29  -9.749 -11.815  -2.016
  438    H    ILE  30           H        ILE  30  -4.105  -9.563  -0.825
  439    HA   ILE  30           HA       ILE  30  -2.996  -9.480  -3.402
  440    HB   ILE  30           HB       ILE  30  -1.731  -8.774  -0.747
  441   1HG1  ILE  30          1HG1      ILE  30  -3.034  -7.051  -2.868
  442   2HG1  ILE  30          2HG1      ILE  30  -3.751  -7.480  -1.318
  443   1HG2  ILE  30          1HG2      ILE  30   0.154  -8.141  -1.772
  444   2HG2  ILE  30          2HG2      ILE  30  -0.713  -7.448  -3.142
  445   3HG2  ILE  30          3HG2      ILE  30  -0.382  -9.180  -3.092
  446   1HD1  ILE  30          1HD1      ILE  30  -2.356  -5.206  -1.830
  447   2HD1  ILE  30          2HD1      ILE  30  -1.118  -6.232  -1.106
  448   3HD1  ILE  30          3HD1      ILE  30  -2.612  -5.900  -0.230
  449    H    GLN  31           H        GLN  31  -2.072 -11.326  -0.527
  450    HA   GLN  31           HA       GLN  31   0.262 -12.488  -1.572
  451   1HB   GLN  31          1HB       GLN  31  -0.235 -12.509   0.814
  452   2HB   GLN  31          2HB       GLN  31  -1.647 -13.518   0.535
  453   1HG   GLN  31          1HG       GLN  31  -0.194 -15.321  -0.260
  454   2HG   GLN  31          2HG       GLN  31   1.216 -14.309   0.043
  455   1HE2  GLN  31          1HE2      GLN  31  -0.968 -13.585   2.395
  456   2HE2  GLN  31          2HE2      GLN  31  -0.433 -14.670   3.626
  457    H    ASP  32           H        ASP  32  -3.111 -13.555  -1.591
  458    HA   ASP  32           HA       ASP  32  -2.658 -16.079  -2.752
  459   1HB   ASP  32          1HB       ASP  32  -4.752 -15.501  -1.617
  460   2HB   ASP  32          2HB       ASP  32  -5.125 -14.334  -2.882
  461    H    LYS  33           H        LYS  33  -3.425 -12.933  -4.212
  462    HA   LYS  33           HA       LYS  33  -3.511 -13.981  -6.877
  463   1HB   LYS  33          1HB       LYS  33  -4.773 -11.965  -6.143
  464   2HB   LYS  33          2HB       LYS  33  -3.248 -11.106  -5.981
  465   1HG   LYS  33          1HG       LYS  33  -4.214 -10.475  -8.053
  466   2HG   LYS  33          2HG       LYS  33  -2.841 -11.524  -8.408
  467   1HD   LYS  33          1HD       LYS  33  -4.696 -12.132  -9.826
  468   2HD   LYS  33          2HD       LYS  33  -4.411 -13.424  -8.659
  469   1HE   LYS  33          1HE       LYS  33  -6.244 -12.572  -7.275
  470   2HE   LYS  33          2HE       LYS  33  -6.524 -11.279  -8.440
  471   1HZ   LYS  33          1HZ       LYS  33  -7.985 -12.707  -9.311
  472   2HZ   LYS  33          2HZ       LYS  33  -7.304 -14.054  -8.548
  473   3HZ   LYS  33          3HZ       LYS  33  -6.637 -13.472  -9.989
  474    H    GLU  34           H        GLU  34  -1.317 -11.540  -5.471
  475    HA   GLU  34           HA       GLU  34   0.586 -11.802  -7.545
  476   1HB   GLU  34          1HB       GLU  34   0.822 -10.545  -4.812
  477   2HB   GLU  34          2HB       GLU  34   2.034 -10.403  -6.077
  478   1HG   GLU  34          1HG       GLU  34   0.380  -9.318  -7.525
  479   2HG   GLU  34          2HG       GLU  34  -0.811  -9.432  -6.230
  480    H    GLY  35           H        GLY  35   0.395 -13.231  -4.308
  481   1HA   GLY  35          1HA       GLY  35   1.415 -15.222  -3.632
  482   2HA   GLY  35          2HA       GLY  35   2.332 -15.233  -5.131
  483    H    ILE  36           H        ILE  36   2.049 -12.944  -2.419
  484    HA   ILE  36           HA       ILE  36   4.904 -13.272  -1.862
  485    HB   ILE  36           HB       ILE  36   3.600 -10.594  -2.393
  486   1HG1  ILE  36          1HG1      ILE  36   5.847 -12.022  -3.835
  487   2HG1  ILE  36          2HG1      ILE  36   4.199 -11.857  -4.430
  488   1HG2  ILE  36          1HG2      ILE  36   5.347 -10.827  -0.487
  489   2HG2  ILE  36          2HG2      ILE  36   5.510  -9.519  -1.658
  490   3HG2  ILE  36          3HG2      ILE  36   6.508 -10.965  -1.808
  491   1HD1  ILE  36          1HD1      ILE  36   6.343  -9.800  -4.199
  492   2HD1  ILE  36          2HD1      ILE  36   4.649  -9.312  -4.189
  493   3HD1  ILE  36          3HD1      ILE  36   5.304 -10.195  -5.568
  494    HA   PRO  37           HA       PRO  37   3.511 -13.419   2.351
  495   1HB   PRO  37          1HB       PRO  37   6.068 -11.968   2.861
  496   2HB   PRO  37          2HB       PRO  37   5.427 -13.422   3.634
  497   1HG   PRO  37          1HG       PRO  37   7.377 -13.599   1.837
  498   2HG   PRO  37          2HG       PRO  37   6.071 -14.798   1.879
  499   1HD   PRO  37          1HD       PRO  37   6.521 -12.548  -0.024
  500   2HD   PRO  37          2HD       PRO  37   5.833 -14.157  -0.319
  501    HA   PRO  38           HA       PRO  38   1.649  -9.401   2.848
  502   1HB   PRO  38          1HB       PRO  38   0.789  -9.735   5.433
  503   2HB   PRO  38          2HB       PRO  38  -0.054 -10.373   4.018
  504   1HG   PRO  38          1HG       PRO  38   1.816 -11.762   5.895
  505   2HG   PRO  38          2HG       PRO  38   0.297 -12.346   5.188
  506   1HD   PRO  38          1HD       PRO  38   2.687 -13.108   4.225
  507   2HD   PRO  38          2HD       PRO  38   1.290 -12.852   3.159
  508    H    ASP  39           H        ASP  39   3.590 -10.646   5.572
  509    HA   ASP  39           HA       ASP  39   4.132  -8.170   6.759
  510   1HB   ASP  39          1HB       ASP  39   6.004  -9.320   7.878
  511   2HB   ASP  39          2HB       ASP  39   4.529 -10.281   7.919
  512    H    GLN  40           H        GLN  40   5.884  -9.973   4.278
  513    HA   GLN  40           HA       GLN  40   8.149  -8.349   4.103
  514   1HB   GLN  40          1HB       GLN  40   7.984 -10.553   3.044
  515   2HB   GLN  40          2HB       GLN  40   6.782  -9.933   1.921
  516   1HG   GLN  40          1HG       GLN  40   8.435  -8.413   0.975
  517   2HG   GLN  40          2HG       GLN  40   9.642  -9.012   2.113
  518   1HE2  GLN  40          1HE2      GLN  40  10.998 -10.389   1.243
  519   2HE2  GLN  40          2HE2      GLN  40  10.646 -11.523  -0.013
  520    H    GLN  41           H        GLN  41   4.990  -8.068   2.558
  521    HA   GLN  41           HA       GLN  41   5.788  -5.792   0.975
  522   1HB   GLN  41          1HB       GLN  41   3.031  -6.919   1.485
  523   2HB   GLN  41          2HB       GLN  41   3.455  -5.743   0.250
  524   1HG   GLN  41          1HG       GLN  41   4.859  -7.390  -0.859
  525   2HG   GLN  41          2HG       GLN  41   4.471  -8.571   0.392
  526   1HE2  GLN  41          1HE2      GLN  41   2.965  -9.962  -0.149
  527   2HE2  GLN  41          2HE2      GLN  41   1.666  -9.689  -1.254
  528    H    ARG  42           H        ARG  42   5.803  -3.749   1.633
  529    HA   ARG  42           HA       ARG  42   4.493  -3.047   4.151
  530   1HB   ARG  42          1HB       ARG  42   6.594  -1.701   2.466
  531   2HB   ARG  42          2HB       ARG  42   5.747  -0.828   3.735
  532   1HG   ARG  42          1HG       ARG  42   7.856  -1.634   4.563
  533   2HG   ARG  42          2HG       ARG  42   6.540  -2.482   5.374
  534   1HD   ARG  42          1HD       ARG  42   6.852  -4.387   3.857
  535   2HD   ARG  42          2HD       ARG  42   8.186  -3.538   3.077
  536    HE   ARG  42           HE       ARG  42   9.515  -4.318   4.745
  537   1HH1  ARG  42          1HH1      ARG  42   6.265  -4.087   5.992
  538   2HH1  ARG  42          2HH1      ARG  42   6.689  -4.685   7.560
  539   1HH2  ARG  42          1HH2      ARG  42  10.075  -5.107   6.806
  540   2HH2  ARG  42          2HH2      ARG  42   8.853  -5.263   8.023
  541    H    LEU  43           H        LEU  43   2.507  -2.245   4.075
  542    HA   LEU  43           HA       LEU  43   1.462  -1.165   1.600
  543   1HB   LEU  43          1HB       LEU  43   0.239  -2.748   3.176
  544   2HB   LEU  43          2HB       LEU  43   0.024  -1.370   4.234
  545    HG   LEU  43           HG       LEU  43  -1.268  -0.221   2.524
  546   1HD1  LEU  43          1HD1      LEU  43  -0.965  -0.724   0.384
  547   2HD1  LEU  43          2HD1      LEU  43  -1.839  -2.230   0.661
  548   3HD1  LEU  43          3HD1      LEU  43  -0.082  -2.190   0.807
  549   1HD2  LEU  43          1HD2      LEU  43  -2.511  -2.910   2.539
  550   2HD2  LEU  43          2HD2      LEU  43  -3.206  -1.338   2.931
  551   3HD2  LEU  43          3HD2      LEU  43  -2.165  -2.157   4.096
  552    H    ILE  44           H        ILE  44   1.125   0.918   1.140
  553    HA   ILE  44           HA       ILE  44   1.332   2.907   3.293
  554    HB   ILE  44           HB       ILE  44   2.715   3.161   0.619
  555   1HG1  ILE  44          1HG1      ILE  44   3.895   2.720   3.373
  556   2HG1  ILE  44          2HG1      ILE  44   3.824   1.518   2.090
  557   1HG2  ILE  44          1HG2      ILE  44   3.652   5.007   2.562
  558   2HG2  ILE  44          2HG2      ILE  44   1.891   5.097   2.524
  559   3HG2  ILE  44          3HG2      ILE  44   2.818   5.336   1.043
  560   1HD1  ILE  44          1HD1      ILE  44   5.888   2.212   1.611
  561   2HD1  ILE  44          2HD1      ILE  44   5.689   3.723   2.499
  562   3HD1  ILE  44          3HD1      ILE  44   5.087   3.585   0.847
  563    H    PHE  45           H        PHE  45   0.048   4.685   3.079
  564    HA   PHE  45           HA       PHE  45  -1.267   5.318   0.595
  565   1HB   PHE  45          1HB       PHE  45  -2.683   3.479   1.452
  566   2HB   PHE  45          2HB       PHE  45  -2.933   4.383   2.942
  567    HD1  PHE  45           HD1      PHE  45  -5.113   5.089   3.042
  568    HD2  PHE  45           HD2      PHE  45  -3.028   5.375  -0.657
  569    HE1  PHE  45           HE1      PHE  45  -7.059   6.210   2.037
  570    HE2  PHE  45           HE2      PHE  45  -4.969   6.499  -1.669
  571    HZ   PHE  45           HZ       PHE  45  -6.988   6.918  -0.321
  572    H    ALA  46           H        ALA  46  -1.969   7.404   0.532
  573    HA   ALA  46           HA       ALA  46  -2.031   9.609   1.092
  574   1HB   ALA  46          1HB       ALA  46  -3.823   9.772   2.396
  575   2HB   ALA  46          2HB       ALA  46  -2.772   9.589   3.800
  576   3HB   ALA  46          3HB       ALA  46  -3.527   8.171   3.073
  577    H    GLY  47           H        GLY  47   0.489   8.337   1.359
  578   1HA   GLY  47          1HA       GLY  47   2.585   8.731   2.199
  579   2HA   GLY  47          2HA       GLY  47   1.962  10.299   2.687
  580    H    LYS  48           H        LYS  48   0.825   7.157   3.824
  581    HA   LYS  48           HA       LYS  48   2.199   7.501   6.368
  582   1HB   LYS  48          1HB       LYS  48  -0.816   7.399   6.140
  583   2HB   LYS  48          2HB       LYS  48   0.073   7.210   7.645
  584   1HG   LYS  48          1HG       LYS  48   0.954   9.468   7.426
  585   2HG   LYS  48          2HG       LYS  48   0.100   9.661   5.893
  586   1HD   LYS  48          1HD       LYS  48  -2.037   9.370   7.044
  587   2HD   LYS  48          2HD       LYS  48  -1.189   9.156   8.577
  588   1HE   LYS  48          1HE       LYS  48  -0.276  11.426   8.374
  589   2HE   LYS  48          2HE       LYS  48  -1.149  11.635   6.857
  590   1HZ   LYS  48          1HZ       LYS  48  -2.177  12.522   9.029
  591   2HZ   LYS  48          2HZ       LYS  48  -2.607  10.912   9.313
  592   3HZ   LYS  48          3HZ       LYS  48  -3.174  11.707   7.932
  593    H    GLN  49           H        GLN  49   2.661   5.607   7.352
  594    HA   GLN  49           HA       GLN  49   2.419   3.200   5.894
  595   1HB   GLN  49          1HB       GLN  49   3.086   3.563   8.822
  596   2HB   GLN  49          2HB       GLN  49   3.407   2.129   7.860
  597   1HG   GLN  49          1HG       GLN  49   4.627   4.843   7.421
  598   2HG   GLN  49          2HG       GLN  49   5.412   3.473   8.202
  599   1HE2  GLN  49          1HE2      GLN  49   6.712   2.347   6.959
  600   2HE2  GLN  49          2HE2      GLN  49   6.615   2.205   5.240
  601    H    LEU  50           H        LEU  50   0.787   1.789   5.785
  602    HA   LEU  50           HA       LEU  50  -1.519   2.166   7.501
  603   1HB   LEU  50          1HB       LEU  50  -1.060   0.190   5.263
  604   2HB   LEU  50          2HB       LEU  50  -2.587   0.471   6.078
  605    HG   LEU  50           HG       LEU  50  -1.099   2.434   4.330
  606   1HD1  LEU  50          1HD1      LEU  50  -3.852   1.720   3.683
  607   2HD1  LEU  50          2HD1      LEU  50  -2.727   0.366   3.591
  608   3HD1  LEU  50          3HD1      LEU  50  -2.429   1.824   2.646
  609   1HD2  LEU  50          1HD2      LEU  50  -3.836   2.912   5.425
  610   2HD2  LEU  50          2HD2      LEU  50  -2.646   4.068   4.828
  611   3HD2  LEU  50          3HD2      LEU  50  -2.421   3.305   6.402
  612    H    GLU  51           H        GLU  51  -2.122   0.902   9.164
  613    HA   GLU  51           HA       GLU  51  -0.250  -0.858  10.340
  614   1HB   GLU  51          1HB       GLU  51  -3.167  -0.410  10.960
  615   2HB   GLU  51          2HB       GLU  51  -2.053  -1.314  11.976
  616   1HG   GLU  51          1HG       GLU  51  -1.862   1.603  11.278
  617   2HG   GLU  51          2HG       GLU  51  -2.336   0.913  12.827
  618    H    ASP  52           H        ASP  52  -1.906  -2.925  11.326
  619    HA   ASP  52           HA       ASP  52  -2.569  -4.489   8.935
  620   1HB   ASP  52          1HB       ASP  52  -0.844  -5.368  11.259
  621   2HB   ASP  52          2HB       ASP  52  -1.504  -6.469  10.059
  622    H    GLY  53           H        GLY  53  -4.488  -3.226  10.449
  623   1HA   GLY  53          1HA       GLY  53  -6.282  -5.243  11.064
  624   2HA   GLY  53          2HA       GLY  53  -5.485  -4.838  12.576
  625    H    ARG  54           H        ARG  54  -6.541  -2.803   9.852
  626    HA   ARG  54           HA       ARG  54  -8.427  -1.473  11.663
  627   1HB   ARG  54          1HB       ARG  54  -6.453  -0.059   9.863
  628   2HB   ARG  54          2HB       ARG  54  -7.725   0.724  10.785
  629   1HG   ARG  54          1HG       ARG  54  -5.391  -0.794  11.930
  630   2HG   ARG  54          2HG       ARG  54  -5.572   0.960  11.881
  631   1HD   ARG  54          1HD       ARG  54  -7.587   0.768  13.282
  632   2HD   ARG  54          2HD       ARG  54  -7.349  -0.977  13.363
  633    HE   ARG  54           HE       ARG  54  -6.113   0.933  14.998
  634   1HH1  ARG  54          1HH1      ARG  54  -5.305  -1.940  13.186
  635   2HH1  ARG  54          2HH1      ARG  54  -3.978  -2.365  14.214
  636   1HH2  ARG  54          1HH2      ARG  54  -4.373   0.372  16.351
  637   2HH2  ARG  54          2HH2      ARG  54  -3.450  -1.054  16.011
  638    H    THR  55           H        THR  55 -10.347  -1.028  10.774
  639    HA   THR  55           HA       THR  55 -11.034  -2.073   8.242
  640    HB   THR  55           HB       THR  55 -13.235  -1.031   8.602
  641    HG1  THR  55           HG1      THR  55 -13.499   0.163  10.603
  642   1HG2  THR  55          1HG2      THR  55 -13.065  -1.937  11.278
  643   2HG2  THR  55          2HG2      THR  55 -11.938  -2.902  10.324
  644   3HG2  THR  55          3HG2      THR  55 -13.638  -2.820   9.863
  645    H    LEU  56           H        LEU  56 -11.074  -1.189   6.273
  646    HA   LEU  56           HA       LEU  56  -9.812   1.277   5.741
  647   1HB   LEU  56          1HB       LEU  56 -11.590  -0.390   3.959
  648   2HB   LEU  56          2HB       LEU  56 -10.561   0.921   3.417
  649    HG   LEU  56           HG       LEU  56  -9.607  -1.664   4.654
  650   1HD1  LEU  56          1HD1      LEU  56  -9.856  -0.691   1.840
  651   2HD1  LEU  56          2HD1      LEU  56 -10.269  -2.263   2.524
  652   3HD1  LEU  56          3HD1      LEU  56  -8.578  -1.825   2.279
  653   1HD2  LEU  56          1HD2      LEU  56  -8.132   0.752   3.630
  654   2HD2  LEU  56          2HD2      LEU  56  -7.370  -0.821   3.863
  655   3HD2  LEU  56          3HD2      LEU  56  -8.060   0.036   5.240
  656    H    SER  57           H        SER  57 -13.143   0.373   6.227
  657    HA   SER  57           HA       SER  57 -14.509   2.462   5.060
  658   1HB   SER  57          1HB       SER  57 -15.634   0.551   6.097
  659   2HB   SER  57          2HB       SER  57 -15.132   1.106   7.694
  660    HG   SER  57           HG       SER  57 -16.949   2.160   7.650
  661    H    ASP  58           H        ASP  58 -12.900   2.391   8.212
  662    HA   ASP  58           HA       ASP  58 -13.788   4.918   9.094
  663   1HB   ASP  58          1HB       ASP  58 -11.288   3.376   9.819
  664   2HB   ASP  58          2HB       ASP  58 -11.878   4.793  10.682
  665    H    TYR  59           H        TYR  59 -10.921   3.913   7.285
  666    HA   TYR  59           HA       TYR  59  -9.581   6.371   7.256
  667   1HB   TYR  59          1HB       TYR  59  -9.558   4.101   5.263
  668   2HB   TYR  59          2HB       TYR  59  -8.471   5.481   5.177
  669    HD1  TYR  59           HD1      TYR  59  -9.598   3.123   7.868
  670    HD2  TYR  59           HD2      TYR  59  -6.341   5.011   5.886
  671    HE1  TYR  59           HE1      TYR  59  -8.025   1.977   9.371
  672    HE2  TYR  59           HE2      TYR  59  -4.760   3.868   7.383
  673    HH   TYR  59           HH       TYR  59  -4.865   1.615   8.799
  674    H    ASN  60           H        ASN  60 -12.339   5.270   5.476
  675    HA   ASN  60           HA       ASN  60 -13.745   6.314   4.020
  676   1HB   ASN  60          1HB       ASN  60 -12.154   8.783   4.760
  677   2HB   ASN  60          2HB       ASN  60 -13.653   8.789   3.839
  678   1HD2  ASN  60          1HD2      ASN  60 -14.069   6.347   5.921
  679   2HD2  ASN  60          2HD2      ASN  60 -14.807   7.183   7.238
  680    H    ILE  61           H        ILE  61 -11.551   4.957   3.010
  681    HA   ILE  61           HA       ILE  61 -10.052   6.415   1.113
  682    HB   ILE  61           HB       ILE  61 -10.763   3.479   1.091
  683   1HG1  ILE  61          1HG1      ILE  61  -8.332   4.903   2.201
  684   2HG1  ILE  61          2HG1      ILE  61  -9.631   4.206   3.164
  685   1HG2  ILE  61          1HG2      ILE  61  -9.745   4.827  -0.987
  686   2HG2  ILE  61          2HG2      ILE  61  -9.314   3.157  -0.618
  687   3HG2  ILE  61          3HG2      ILE  61  -8.254   4.473  -0.114
  688   1HD1  ILE  61          1HD1      ILE  61  -7.712   2.716   1.389
  689   2HD1  ILE  61          2HD1      ILE  61  -9.062   1.987   2.259
  690   3HD1  ILE  61          3HD1      ILE  61  -7.736   2.730   3.152
  691    H    GLN  62           H        GLN  62 -10.457   7.013  -0.931
  692    HA   GLN  62           HA       GLN  62 -13.133   6.946  -1.914
  693   1HB   GLN  62          1HB       GLN  62 -10.579   7.779  -3.301
  694   2HB   GLN  62          2HB       GLN  62 -12.205   8.091  -3.890
  695   1HG   GLN  62          1HG       GLN  62 -12.655   9.460  -1.916
  696   2HG   GLN  62          2HG       GLN  62 -11.020   9.155  -1.336
  697   1HE2  GLN  62          1HE2      GLN  62 -10.775   9.314  -4.599
  698   2HE2  GLN  62          2HE2      GLN  62 -10.404  10.989  -4.786
  699    H    LYS  63           H        LYS  63 -13.872   5.988  -3.883
  700    HA   LYS  63           HA       LYS  63 -13.035   3.299  -4.210
  701   1HB   LYS  63          1HB       LYS  63 -14.717   3.157  -5.940
  702   2HB   LYS  63          2HB       LYS  63 -15.359   4.075  -4.585
  703   1HG   LYS  63          1HG       LYS  63 -14.881   6.160  -5.800
  704   2HG   LYS  63          2HG       LYS  63 -14.311   5.204  -7.169
  705   1HD   LYS  63          1HD       LYS  63 -16.521   4.170  -7.366
  706   2HD   LYS  63          2HD       LYS  63 -17.091   5.130  -5.999
  707   1HE   LYS  63          1HE       LYS  63 -17.783   6.126  -8.112
  708   2HE   LYS  63          2HE       LYS  63 -16.660   7.180  -7.255
  709   1HZ   LYS  63          1HZ       LYS  63 -16.439   6.200  -9.849
  710   2HZ   LYS  63          2HZ       LYS  63 -15.211   5.465  -8.949
  711   3HZ   LYS  63          3HZ       LYS  63 -15.325   7.151  -9.002
  712    H    GLU  64           H        GLU  64 -11.946   2.300  -5.870
  713    HA   GLU  64           HA       GLU  64 -10.390   2.023  -7.496
  714   1HB   GLU  64          1HB       GLU  64 -11.535   4.619  -8.537
  715   2HB   GLU  64          2HB       GLU  64 -10.467   3.552  -9.438
  716   1HG   GLU  64          1HG       GLU  64 -12.142   1.779  -9.329
  717   2HG   GLU  64          2HG       GLU  64 -13.213   2.847  -8.424
  718    H    SER  65           H        SER  65  -9.550   3.265  -5.087
  719    HA   SER  65           HA       SER  65  -7.690   5.363  -5.853
  720   1HB   SER  65          1HB       SER  65  -8.284   4.048  -3.197
  721   2HB   SER  65          2HB       SER  65  -7.052   5.291  -3.415
  722    HG   SER  65           HG       SER  65  -8.583   6.770  -3.786
  723    H    THR  66           H        THR  66  -5.481   5.185  -5.907
  724    HA   THR  66           HA       THR  66  -4.456   2.467  -6.182
  725    HB   THR  66           HB       THR  66  -3.139   5.113  -6.835
  726    HG1  THR  66           HG1      THR  66  -3.732   3.435  -8.908
  727   1HG2  THR  66          1HG2      THR  66  -1.251   3.923  -6.934
  728   2HG2  THR  66          2HG2      THR  66  -1.953   3.077  -8.313
  729   3HG2  THR  66          3HG2      THR  66  -2.116   2.406  -6.691
  730    H    LEU  67           H        LEU  67  -3.690   1.545  -4.390
  731    HA   LEU  67           HA       LEU  67  -2.532   3.165  -2.267
  732   1HB   LEU  67          1HB       LEU  67  -3.196   0.228  -2.459
  733   2HB   LEU  67          2HB       LEU  67  -2.388   0.937  -1.075
  734    HG   LEU  67           HG       LEU  67  -4.365   2.393  -0.704
  735   1HD1  LEU  67          1HD1      LEU  67  -5.198   2.412  -3.016
  736   2HD1  LEU  67          2HD1      LEU  67  -6.442   1.940  -1.859
  737   3HD1  LEU  67          3HD1      LEU  67  -5.652   0.716  -2.853
  738   1HD2  LEU  67          1HD2      LEU  67  -5.531  -0.312  -0.762
  739   2HD2  LEU  67          2HD2      LEU  67  -5.359   0.826   0.575
  740   3HD2  LEU  67          3HD2      LEU  67  -3.983  -0.154   0.068
  741    H    HIS  68           H        HIS  68  -0.394   3.192  -1.702
  742    HA   HIS  68           HA       HIS  68   1.450   2.159  -3.666
  743   1HB   HIS  68          1HB       HIS  68   1.913   3.781  -1.161
  744   2HB   HIS  68          2HB       HIS  68   3.186   3.305  -2.280
  745    HD1  HIS  68           HD1      HIS  68   3.532   5.946  -2.548
  746    HD2  HIS  68           HD2      HIS  68  -0.018   4.423  -4.067
  747    HE1  HIS  68           HE1      HIS  68   2.639   7.726  -4.083
  748    HE2  HIS  68           HE2      HIS  68   0.432   6.828  -4.896
  749    H    LEU  69           H        LEU  69   3.211   0.788  -3.258
  750    HA   LEU  69           HA       LEU  69   3.149  -0.794  -0.799
  751   1HB   LEU  69          1HB       LEU  69   1.706  -1.965  -2.399
  752   2HB   LEU  69          2HB       LEU  69   3.010  -1.980  -3.570
  753    HG   LEU  69           HG       LEU  69   4.333  -3.424  -2.080
  754   1HD1  LEU  69          1HD1      LEU  69   3.810  -3.828   0.045
  755   2HD1  LEU  69          2HD1      LEU  69   2.126  -4.171  -0.351
  756   3HD1  LEU  69          3HD1      LEU  69   2.651  -2.506  -0.103
  757   1HD2  LEU  69          1HD2      LEU  69   2.289  -5.256  -2.037
  758   2HD2  LEU  69          2HD2      LEU  69   3.360  -4.934  -3.401
  759   3HD2  LEU  69          3HD2      LEU  69   1.791  -4.134  -3.303
  760    H    VAL  70           H        VAL  70   5.132  -1.636  -0.212
  761    HA   VAL  70           HA       VAL  70   7.387  -1.194  -2.050
  762    HB   VAL  70           HB       VAL  70   7.461  -0.535   0.897
  763   1HG1  VAL  70          1HG1      VAL  70   9.612  -1.203  -0.059
  764   2HG1  VAL  70          2HG1      VAL  70   9.603   0.505   0.393
  765   3HG1  VAL  70          3HG1      VAL  70   9.442   0.036  -1.303
  766   1HG2  VAL  70          1HG2      VAL  70   7.269   1.348  -1.449
  767   2HG2  VAL  70          2HG2      VAL  70   7.496   1.814   0.237
  768   3HG2  VAL  70          3HG2      VAL  70   5.999   1.029  -0.267
  769    H    LEU  71           H        LEU  71   8.398  -3.068  -2.359
  770    HA   LEU  71           HA       LEU  71   7.958  -5.336  -0.690
  771   1HB   LEU  71          1HB       LEU  71   9.920  -4.883  -2.940
  772   2HB   LEU  71          2HB       LEU  71   9.675  -6.425  -2.146
  773    HG   LEU  71           HG       LEU  71   8.485  -6.449  -4.219
  774   1HD1  LEU  71          1HD1      LEU  71   7.319  -6.993  -1.793
  775   2HD1  LEU  71          2HD1      LEU  71   6.704  -7.479  -3.372
  776   3HD1  LEU  71          3HD1      LEU  71   6.106  -6.007  -2.608
  777   1HD2  LEU  71          1HD2      LEU  71   6.884  -4.063  -3.345
  778   2HD2  LEU  71          2HD2      LEU  71   6.932  -4.833  -4.931
  779   3HD2  LEU  71          3HD2      LEU  71   8.327  -3.924  -4.350
  780    H    ARG  72           H        ARG  72   9.066  -6.045   1.018
  781    HA   ARG  72           HA       ARG  72  11.013  -4.492   2.300
  782   1HB   ARG  72          1HB       ARG  72   9.634  -6.108   3.498
  783   2HB   ARG  72          2HB       ARG  72  10.377  -7.432   2.614
  784   1HG   ARG  72          1HG       ARG  72  12.527  -6.925   3.658
  785   2HG   ARG  72          2HG       ARG  72  11.778  -5.596   4.546
  786   1HD   ARG  72          1HD       ARG  72  10.304  -7.158   5.682
  787   2HD   ARG  72          2HD       ARG  72  10.978  -8.497   4.755
  788    HE   ARG  72           HE       ARG  72  12.628  -8.606   6.311
  789   1HH1  ARG  72          1HH1      ARG  72  11.442  -5.326   6.240
  790   2HH1  ARG  72          2HH1      ARG  72  12.502  -4.782   7.497
  791   1HH2  ARG  72          1HH2      ARG  72  14.024  -7.895   7.964
  792   2HH2  ARG  72          2HH2      ARG  72  13.969  -6.242   8.477
  793    H    LEU  73           H        LEU  73  12.926  -4.033   1.405
  794    HA   LEU  73           HA       LEU  73  14.889  -4.246   0.265
  795   1HB   LEU  73          1HB       LEU  73  14.917  -6.832   1.827
  796   2HB   LEU  73          2HB       LEU  73  16.311  -6.136   1.027
  797    HG   LEU  73           HG       LEU  73  16.070  -4.124   2.506
  798   1HD1  LEU  73          1HD1      LEU  73  14.709  -4.182   4.432
  799   2HD1  LEU  73          2HD1      LEU  73  14.270  -5.868   4.163
  800   3HD1  LEU  73          3HD1      LEU  73  13.663  -4.616   3.081
  801   1HD2  LEU  73          1HD2      LEU  73  17.151  -6.683   3.034
  802   2HD2  LEU  73          2HD2      LEU  73  16.496  -6.058   4.547
  803   3HD2  LEU  73          3HD2      LEU  73  17.687  -5.119   3.647
  804    H    ARG  74           H        ARG  74  15.800  -7.238  -0.252
  805    HA   ARG  74           HA       ARG  74  14.081  -8.291  -2.199
  806   1HB   ARG  74          1HB       ARG  74  14.653  -6.287  -3.474
  807   2HB   ARG  74          2HB       ARG  74  16.366  -6.628  -3.279
  808   1HG   ARG  74          1HG       ARG  74  15.631  -7.247  -5.494
  809   2HG   ARG  74          2HG       ARG  74  16.097  -8.686  -4.586
  810   1HD   ARG  74          1HD       ARG  74  13.739  -9.138  -4.101
  811   2HD   ARG  74          2HD       ARG  74  13.277  -7.698  -5.008
  812    HE   ARG  74           HE       ARG  74  13.815 -10.245  -6.081
  813   1HH1  ARG  74          1HH1      ARG  74  14.379  -6.864  -6.723
  814   2HH1  ARG  74          2HH1      ARG  74  14.511  -7.081  -8.436
  815   1HH2  ARG  74          1HH2      ARG  74  13.989 -10.537  -8.333
  816   2HH2  ARG  74          2HH2      ARG  74  14.293  -9.168  -9.350
  817    H    GLY  75           H        GLY  75  17.461  -7.817  -1.262
  818   1HA   GLY  75          1HA       GLY  75  17.906 -10.530  -0.689
  819   2HA   GLY  75          2HA       GLY  75  18.492 -10.207  -2.314
  820    H    GLY  76           H        GLY  76  18.557  -8.126   0.563
  821   1HA   GLY  76          1HA       GLY  76  21.212  -8.561   1.304
  822   2HA   GLY  76          2HA       GLY  76  21.213  -7.282   0.099
  Start of MODEL   17
    1   1H    TYR 255          1H        TYR 255 -25.464   5.497  -4.521
    2   2H    TYR 255          2H        TYR 255 -24.017   5.584  -5.391
    3   3H    TYR 255          3H        TYR 255 -24.876   6.998  -5.037
    4    HA   TYR 255           HA       TYR 255 -24.050   7.182  -3.002
    5   1HB   TYR 255          1HB       TYR 255 -23.724   5.159  -1.537
    6   2HB   TYR 255          2HB       TYR 255 -25.363   5.382  -2.130
    7    HD1  TYR 255           HD1      TYR 255 -26.471   3.532  -2.937
    8    HD2  TYR 255           HD2      TYR 255 -22.220   3.583  -3.091
    9    HE1  TYR 255           HE1      TYR 255 -26.478   1.226  -3.792
   10    HE2  TYR 255           HE2      TYR 255 -22.216   1.281  -3.950
   11    HH   TYR 255           HH       TYR 255 -25.056  -0.279  -5.043
   12    HA   PRO 256           HA       PRO 256 -19.752   6.939  -4.005
   13   1HB   PRO 256          1HB       PRO 256 -18.656   7.668  -1.637
   14   2HB   PRO 256          2HB       PRO 256 -19.484   8.814  -2.698
   15   1HG   PRO 256          1HG       PRO 256 -20.513   7.406  -0.262
   16   2HG   PRO 256          2HG       PRO 256 -20.710   9.103  -0.740
   17   1HD   PRO 256          1HD       PRO 256 -22.647   7.249  -1.117
   18   2HD   PRO 256          2HD       PRO 256 -22.410   8.620  -2.220
   19    H    GLU 257           H        GLU 257 -18.359   5.290  -4.147
   20    HA   GLU 257           HA       GLU 257 -18.736   2.896  -2.688
   21   1HB   GLU 257          1HB       GLU 257 -16.419   3.777  -4.419
   22   2HB   GLU 257          2HB       GLU 257 -16.665   2.139  -3.827
   23   1HG   GLU 257          1HG       GLU 257 -18.774   2.012  -5.056
   24   2HG   GLU 257          2HG       GLU 257 -18.518   3.648  -5.657
   25    H    ASP 258           H        ASP 258 -17.823   2.140  -0.873
   26    HA   ASP 258           HA       ASP 258 -16.465   3.903   0.872
   27   1HB   ASP 258          1HB       ASP 258 -17.895   2.109   1.711
   28   2HB   ASP 258          2HB       ASP 258 -16.808   0.902   1.032
   29    H    GLU 259           H        GLU 259 -15.362   1.147  -1.063
   30    HA   GLU 259           HA       GLU 259 -12.727   1.058  -0.142
   31   1HB   GLU 259          1HB       GLU 259 -12.229  -0.138  -2.240
   32   2HB   GLU 259          2HB       GLU 259 -13.686  -0.739  -1.461
   33   1HG   GLU 259          1HG       GLU 259 -15.028   0.639  -3.020
   34   2HG   GLU 259          2HG       GLU 259 -13.535   1.092  -3.841
   35    H    GLU 260           H        GLU 260 -14.172   2.922  -2.786
   36    HA   GLU 260           HA       GLU 260 -11.738   4.020  -3.733
   37   1HB   GLU 260          1HB       GLU 260 -14.595   4.960  -4.012
   38   2HB   GLU 260          2HB       GLU 260 -13.237   5.719  -4.831
   39   1HG   GLU 260          1HG       GLU 260 -12.752   3.584  -5.953
   40   2HG   GLU 260          2HG       GLU 260 -14.166   2.875  -5.174
   41    H    GLU 261           H        GLU 261 -14.169   5.153  -1.431
   42    HA   GLU 261           HA       GLU 261 -13.154   7.715  -0.985
   43   1HB   GLU 261          1HB       GLU 261 -15.342   7.000  -0.165
   44   2HB   GLU 261          2HB       GLU 261 -14.578   5.863   0.936
   45   1HG   GLU 261          1HG       GLU 261 -15.317   7.848   2.109
   46   2HG   GLU 261          2HG       GLU 261 -13.560   7.706   2.153
   47    H    LEU 262           H        LEU 262 -12.426   4.653   0.654
   48    HA   LEU 262           HA       LEU 262 -10.595   5.713   2.511
   49   1HB   LEU 262          1HB       LEU 262 -10.790   2.935   1.348
   50   2HB   LEU 262          2HB       LEU 262  -9.801   3.371   2.728
   51    HG   LEU 262           HG       LEU 262 -12.815   3.519   2.599
   52   1HD1  LEU 262          1HD1      LEU 262 -10.880   1.539   3.712
   53   2HD1  LEU 262          2HD1      LEU 262 -12.382   1.271   2.827
   54   3HD1  LEU 262          3HD1      LEU 262 -12.431   1.790   4.512
   55   1HD2  LEU 262          1HD2      LEU 262 -11.735   5.280   4.000
   56   2HD2  LEU 262          2HD2      LEU 262 -11.000   3.996   4.959
   57   3HD2  LEU 262          3HD2      LEU 262 -12.756   4.162   4.905
   58    H    ILE 263           H        ILE 263 -10.182   4.365  -0.728
   59    HA   ILE 263           HA       ILE 263  -7.410   4.269  -0.839
   60    HB   ILE 263           HB       ILE 263  -9.528   4.622  -2.910
   61   1HG1  ILE 263          1HG1      ILE 263  -7.423   2.511  -2.444
   62   2HG1  ILE 263          2HG1      ILE 263  -9.114   2.406  -1.967
   63   1HG2  ILE 263          1HG2      ILE 263  -8.127   5.705  -4.275
   64   2HG2  ILE 263          2HG2      ILE 263  -7.257   4.176  -4.397
   65   3HG2  ILE 263          3HG2      ILE 263  -6.740   5.394  -3.231
   66   1HD1  ILE 263          1HD1      ILE 263  -9.778   2.476  -4.315
   67   2HD1  ILE 263          2HD1      ILE 263  -8.692   1.127  -3.981
   68   3HD1  ILE 263          3HD1      ILE 263  -8.082   2.572  -4.788
   69    H    ARG 264           H        ARG 264  -9.511   6.952  -1.952
   70    HA   ARG 264           HA       ARG 264  -7.390   8.677  -2.582
   71   1HB   ARG 264          1HB       ARG 264  -9.062  10.485  -2.512
   72   2HB   ARG 264          2HB       ARG 264  -9.570   9.105  -3.474
   73   1HG   ARG 264          1HG       ARG 264 -10.936   8.324  -1.570
   74   2HG   ARG 264          2HG       ARG 264 -10.479   9.779  -0.683
   75   1HD   ARG 264          1HD       ARG 264 -11.963   9.701  -3.309
   76   2HD   ARG 264          2HD       ARG 264 -12.683  10.005  -1.729
   77    HE   ARG 264           HE       ARG 264 -10.621  11.859  -2.165
   78   1HH1  ARG 264          1HH1      ARG 264 -13.809  11.068  -3.328
   79   2HH1  ARG 264          2HH1      ARG 264 -14.184  12.695  -3.792
   80   1HH2  ARG 264          1HH2      ARG 264 -11.107  14.004  -2.770
   81   2HH2  ARG 264          2HH2      ARG 264 -12.648  14.363  -3.475
   82    H    LYS 265           H        LYS 265  -9.209   8.258   0.444
   83    HA   LYS 265           HA       LYS 265  -8.197  10.457   1.832
   84   1HB   LYS 265          1HB       LYS 265  -8.934   7.694   2.800
   85   2HB   LYS 265          2HB       LYS 265  -8.469   8.990   3.893
   86   1HG   LYS 265          1HG       LYS 265 -10.351  10.336   3.088
   87   2HG   LYS 265          2HG       LYS 265 -10.824   9.016   2.015
   88   1HD   LYS 265          1HD       LYS 265 -11.252   7.573   3.891
   89   2HD   LYS 265          2HD       LYS 265 -10.609   8.774   5.014
   90   1HE   LYS 265          1HE       LYS 265 -12.415  10.299   4.444
   91   2HE   LYS 265          2HE       LYS 265 -13.043   9.142   3.273
   92   1HZ   LYS 265          1HZ       LYS 265 -14.168   9.180   5.503
   93   2HZ   LYS 265          2HZ       LYS 265 -12.760   8.504   6.151
   94   3HZ   LYS 265          3HZ       LYS 265 -13.642   7.659   4.981
   95    H    ALA 266           H        ALA 266  -6.905   7.211   1.400
   96    HA   ALA 266           HA       ALA 266  -4.544   7.559   2.911
   97   1HB   ALA 266          1HB       ALA 266  -4.342   5.717   0.647
   98   2HB   ALA 266          2HB       ALA 266  -5.769   5.454   1.651
   99   3HB   ALA 266          3HB       ALA 266  -4.162   5.413   2.375
  100    H    ILE 267           H        ILE 267  -5.440   8.199  -0.419
  101    HA   ILE 267           HA       ILE 267  -2.887   8.682  -1.463
  102    HB   ILE 267           HB       ILE 267  -5.555   9.783  -2.320
  103   1HG1  ILE 267          1HG1      ILE 267  -3.843   7.539  -3.418
  104   2HG1  ILE 267          2HG1      ILE 267  -5.294   7.328  -2.447
  105   1HG2  ILE 267          1HG2      ILE 267  -4.390  10.246  -4.488
  106   2HG2  ILE 267          2HG2      ILE 267  -2.861   9.941  -3.664
  107   3HG2  ILE 267          3HG2      ILE 267  -3.886  11.281  -3.151
  108   1HD1  ILE 267          1HD1      ILE 267  -6.285   8.837  -4.431
  109   2HD1  ILE 267          2HD1      ILE 267  -6.247   7.073  -4.462
  110   3HD1  ILE 267          3HD1      ILE 267  -4.995   7.998  -5.293
  111    H    GLU 268           H        GLU 268  -5.255  10.848   0.018
  112    HA   GLU 268           HA       GLU 268  -3.811  13.236  -0.345
  113   1HB   GLU 268          1HB       GLU 268  -6.222  13.141   0.216
  114   2HB   GLU 268          2HB       GLU 268  -5.807  12.561   1.822
  115   1HG   GLU 268          1HG       GLU 268  -6.314  14.915   1.893
  116   2HG   GLU 268          2HG       GLU 268  -4.610  14.653   2.260
  117    H    LEU 269           H        LEU 269  -3.923  10.893   2.308
  118    HA   LEU 269           HA       LEU 269  -2.314  12.284   4.130
  119   1HB   LEU 269          1HB       LEU 269  -2.540   9.297   3.748
  120   2HB   LEU 269          2HB       LEU 269  -1.899  10.098   5.169
  121    HG   LEU 269           HG       LEU 269  -4.753  10.241   4.195
  122   1HD1  LEU 269          1HD1      LEU 269  -3.618   8.935   6.660
  123   2HD1  LEU 269          2HD1      LEU 269  -4.062   8.076   5.184
  124   3HD1  LEU 269          3HD1      LEU 269  -5.297   8.918   6.120
  125   1HD2  LEU 269          1HD2      LEU 269  -3.304  12.041   5.819
  126   2HD2  LEU 269          2HD2      LEU 269  -4.392  11.140   6.875
  127   3HD2  LEU 269          3HD2      LEU 269  -5.036  12.018   5.487
  128    H    SER 270           H        SER 270  -1.442   9.956   1.595
  129    HA   SER 270           HA       SER 270   1.303   9.828   2.133
  130   1HB   SER 270          1HB       SER 270  -0.139   9.528  -0.513
  131   2HB   SER 270          2HB       SER 270   1.530   9.046  -0.210
  132    HG   SER 270           HG       SER 270   0.827   7.473   1.161
  133    H    LEU 271           H        LEU 271  -0.506  11.926  -0.099
  134    HA   LEU 271           HA       LEU 271   1.687  13.335  -1.126
  135   1HB   LEU 271          1HB       LEU 271  -1.149  14.284  -0.702
  136   2HB   LEU 271          2HB       LEU 271   0.043  15.095  -1.698
  137    HG   LEU 271           HG       LEU 271  -1.057  12.328  -2.203
  138   1HD1  LEU 271          1HD1      LEU 271  -2.514  13.209  -3.716
  139   2HD1  LEU 271          2HD1      LEU 271  -1.509  14.625  -4.027
  140   3HD1  LEU 271          3HD1      LEU 271  -2.470  14.533  -2.551
  141   1HD2  LEU 271          1HD2      LEU 271   0.651  14.012  -4.020
  142   2HD2  LEU 271          2HD2      LEU 271   0.182  12.325  -4.223
  143   3HD2  LEU 271          3HD2      LEU 271   1.312  12.778  -2.948
  144    H    LYS 272           H        LYS 272  -0.245  13.812   1.770
  145    HA   LYS 272           HA       LYS 272   0.684  16.335   2.532
  146   1HB   LYS 272          1HB       LYS 272  -1.241  15.040   3.531
  147   2HB   LYS 272          2HB       LYS 272  -0.058  14.073   4.397
  148   1HG   LYS 272          1HG       LYS 272  -0.195  17.060   4.669
  149   2HG   LYS 272          2HG       LYS 272  -1.159  15.971   5.666
  150   1HD   LYS 272          1HD       LYS 272   0.897  14.892   6.458
  151   2HD   LYS 272          2HD       LYS 272   1.853  15.997   5.469
  152   1HE   LYS 272          1HE       LYS 272   1.784  16.735   7.792
  153   2HE   LYS 272          2HE       LYS 272   0.981  17.893   6.734
  154   1HZ   LYS 272          1HZ       LYS 272  -0.063  16.725   8.993
  155   2HZ   LYS 272          2HZ       LYS 272  -0.856  15.959   7.711
  156   3HZ   LYS 272          3HZ       LYS 272  -0.904  17.644   7.848
  157    H    GLU 273           H        GLU 273   1.933  13.098   3.284
  158    HA   GLU 273           HA       GLU 273   4.050  13.932   4.944
  159   1HB   GLU 273          1HB       GLU 273   3.213  11.603   4.825
  160   2HB   GLU 273          2HB       GLU 273   3.882  11.463   3.206
  161   1HG   GLU 273          1HG       GLU 273   5.358  10.403   4.766
  162   2HG   GLU 273          2HG       GLU 273   6.132  11.852   4.128
  163    H    SER 274           H        SER 274   3.924  13.195   1.479
  164    HA   SER 274           HA       SER 274   6.679  13.889   1.053
  165   1HB   SER 274          1HB       SER 274   6.162  13.518  -1.333
  166   2HB   SER 274          2HB       SER 274   5.606  12.179  -0.330
  167    HG   SER 274           HG       SER 274   4.098  14.199  -1.589
  168    H    ARG 275           H        ARG 275   5.919  16.065   2.242
  169    HA   ARG 275           HA       ARG 275   4.584  18.074   0.886
  170   1HB   ARG 275          1HB       ARG 275   6.980  18.354   2.709
  171   2HB   ARG 275          2HB       ARG 275   5.886  19.656   2.262
  172   1HG   ARG 275          1HG       ARG 275   4.040  18.471   3.352
  173   2HG   ARG 275          2HG       ARG 275   5.153  17.182   3.816
  174   1HD   ARG 275          1HD       ARG 275   6.461  18.783   5.122
  175   2HD   ARG 275          2HD       ARG 275   5.356  20.074   4.652
  176    HE   ARG 275           HE       ARG 275   3.874  18.019   5.843
  177   1HH1  ARG 275          1HH1      ARG 275   6.252  20.420   6.698
  178   2HH1  ARG 275          2HH1      ARG 275   5.706  20.560   8.336
  179   1HH2  ARG 275          1HH2      ARG 275   3.152  18.200   7.995
  180   2HH2  ARG 275          2HH2      ARG 275   3.949  19.297   9.073
  181    H    ASN 276           H        ASN 276   7.987  17.132   0.688
  182    HA   ASN 276           HA       ASN 276   8.252  17.960  -1.996
  183   1HB   ASN 276          1HB       ASN 276   8.221  20.213  -1.004
  184   2HB   ASN 276          2HB       ASN 276   9.564  19.771   0.046
  185   1HD2  ASN 276          1HD2      ASN 276  11.436  20.505  -0.617
  186   2HD2  ASN 276          2HD2      ASN 276  11.918  20.751  -2.258
  187    H    SER 277           H        SER 277   9.974  16.968  -2.901
  188    HA   SER 277           HA       SER 277  12.340  16.303  -1.416
  189   1HB   SER 277          1HB       SER 277  10.487  14.072  -2.288
  190   2HB   SER 277          2HB       SER 277  12.128  13.849  -1.684
  191    HG   SER 277           HG       SER 277   9.882  14.865  -0.291
  192    H    ALA 278           H        ALA 278  10.385  15.621  -4.294
  193    HA   ALA 278           HA       ALA 278  12.480  14.810  -5.974
  194   1HB   ALA 278          1HB       ALA 278  10.095  16.287  -7.018
  195   2HB   ALA 278          2HB       ALA 278   9.919  14.679  -6.316
  196   3HB   ALA 278          3HB       ALA 278  10.958  14.919  -7.721
  197   1H    MET   1          1H        MET   1  15.183  -4.725   3.103
  198   2H    MET   1          2H        MET   1  15.730  -3.550   2.016
  199   3H    MET   1          3H        MET   1  14.152  -4.145   1.894
  200    HA   MET   1           HA       MET   1  15.105  -2.765   4.320
  201   1HB   MET   1          1HB       MET   1  14.090  -0.706   3.381
  202   2HB   MET   1          2HB       MET   1  15.489  -1.251   2.467
  203   1HG   MET   1          1HG       MET   1  14.020  -2.231   0.789
  204   2HG   MET   1          2HG       MET   1  12.613  -1.706   1.711
  205   1HE   MET   1          1HE       MET   1  12.787   0.525  -1.563
  206   2HE   MET   1          2HE       MET   1  11.605  -0.252  -0.509
  207   3HE   MET   1          3HE       MET   1  12.909  -1.201  -1.222
  208    H    GLN   2           H        GLN   2  13.574  -2.654   5.850
  209    HA   GLN   2           HA       GLN   2  11.051  -3.989   5.367
  210   1HB   GLN   2          1HB       GLN   2  10.720  -3.716   7.810
  211   2HB   GLN   2          2HB       GLN   2  12.223  -4.533   7.403
  212   1HG   GLN   2          1HG       GLN   2  13.446  -2.442   7.754
  213   2HG   GLN   2          2HG       GLN   2  11.936  -1.642   8.186
  214   1HE2  GLN   2          1HE2      GLN   2  11.699  -1.400  10.279
  215   2HE2  GLN   2          2HE2      GLN   2  12.251  -2.482  11.506
  216    H    ILE   3           H        ILE   3   9.020  -3.100   5.559
  217    HA   ILE   3           HA       ILE   3   8.791  -0.213   5.987
  218    HB   ILE   3           HB       ILE   3   7.308   0.048   4.043
  219   1HG1  ILE   3          1HG1      ILE   3   8.217  -2.739   3.286
  220   2HG1  ILE   3          2HG1      ILE   3   6.612  -2.331   3.883
  221   1HG2  ILE   3          1HG2      ILE   3   9.085   0.731   2.901
  222   2HG2  ILE   3          2HG2      ILE   3   9.570  -0.930   2.561
  223   3HG2  ILE   3          3HG2      ILE   3  10.097  -0.144   4.049
  224   1HD1  ILE   3          1HD1      ILE   3   6.143  -1.040   1.934
  225   2HD1  ILE   3          2HD1      ILE   3   6.762  -2.610   1.421
  226   3HD1  ILE   3          3HD1      ILE   3   7.808  -1.191   1.372
  227    H    PHE   4           H        PHE   4   6.870   0.423   6.911
  228    HA   PHE   4           HA       PHE   4   5.264  -1.703   8.038
  229   1HB   PHE   4          1HB       PHE   4   5.450   1.248   8.495
  230   2HB   PHE   4          2HB       PHE   4   4.043   0.364   9.070
  231    HD1  PHE   4           HD1      PHE   4   4.177  -1.105  10.936
  232    HD2  PHE   4           HD2      PHE   4   7.678   0.781   9.416
  233    HE1  PHE   4           HE1      PHE   4   5.394  -1.739  12.974
  234    HE2  PHE   4           HE2      PHE   4   8.906   0.146  11.452
  235    HZ   PHE   4           HZ       PHE   4   7.764  -1.113  13.235
  236    H    VAL   5           H        VAL   5   3.205  -2.198   7.604
  237    HA   VAL   5           HA       VAL   5   1.932  -0.832   5.332
  238    HB   VAL   5           HB       VAL   5   1.337  -3.567   6.489
  239   1HG1  VAL   5          1HG1      VAL   5  -0.578  -3.463   5.374
  240   2HG1  VAL   5          2HG1      VAL   5   0.333  -3.299   3.873
  241   3HG1  VAL   5          3HG1      VAL   5  -0.172  -1.861   4.759
  242   1HG2  VAL   5          1HG2      VAL   5   2.268  -4.336   4.262
  243   2HG2  VAL   5          2HG2      VAL   5   3.440  -3.716   5.425
  244   3HG2  VAL   5          3HG2      VAL   5   2.916  -2.706   4.077
  245    H    LYS   6           H        LYS   6   0.343   0.540   5.847
  246    HA   LYS   6           HA       LYS   6  -1.148   0.074   8.346
  247   1HB   LYS   6          1HB       LYS   6   0.244   2.056   8.506
  248   2HB   LYS   6          2HB       LYS   6  -0.429   2.686   7.010
  249   1HG   LYS   6          1HG       LYS   6  -2.635   2.836   8.088
  250   2HG   LYS   6          2HG       LYS   6  -1.916   2.263   9.595
  251   1HD   LYS   6          1HD       LYS   6  -0.431   4.209   9.623
  252   2HD   LYS   6          2HD       LYS   6  -1.150   4.782   8.116
  253   1HE   LYS   6          1HE       LYS   6  -2.104   5.950  10.027
  254   2HE   LYS   6          2HE       LYS   6  -3.324   4.961   9.224
  255   1HZ   LYS   6          1HZ       LYS   6  -3.257   3.383  10.931
  256   2HZ   LYS   6          2HZ       LYS   6  -3.253   4.871  11.734
  257   3HZ   LYS   6          3HZ       LYS   6  -1.817   3.991  11.578
  258    H    THR   7           H        THR   7  -3.312   0.016   8.293
  259    HA   THR   7           HA       THR   7  -4.612   0.128   5.688
  260    HB   THR   7           HB       THR   7  -6.573  -0.807   6.837
  261    HG1  THR   7           HG1      THR   7  -6.701  -0.403   8.908
  262   1HG2  THR   7          1HG2      THR   7  -4.497  -2.194   6.100
  263   2HG2  THR   7          2HG2      THR   7  -5.743  -2.958   7.088
  264   3HG2  THR   7          3HG2      THR   7  -4.244  -2.402   7.834
  265    H    LEU   8           H        LEU   8  -7.235   0.761   6.860
  266    HA   LEU   8           HA       LEU   8  -6.962   3.664   6.845
  267   1HB   LEU   8          1HB       LEU   8  -9.338   1.835   6.568
  268   2HB   LEU   8          2HB       LEU   8  -9.499   3.572   6.724
  269    HG   LEU   8           HG       LEU   8  -9.675   2.932   4.401
  270   1HD1  LEU   8          1HD1      LEU   8  -7.442   4.595   5.355
  271   2HD1  LEU   8          2HD1      LEU   8  -8.784   4.993   4.283
  272   3HD1  LEU   8          3HD1      LEU   8  -7.383   4.124   3.657
  273   1HD2  LEU   8          1HD2      LEU   8  -6.856   2.008   4.273
  274   2HD2  LEU   8          2HD2      LEU   8  -8.237   1.582   3.261
  275   3HD2  LEU   8          3HD2      LEU   8  -8.076   0.885   4.874
  276    H    THR   9           H        THR   9  -8.242   1.076   8.879
  277    HA   THR   9           HA       THR   9  -9.392   2.675  10.872
  278    HB   THR   9           HB       THR   9  -8.166  -0.073  11.171
  279    HG1  THR   9           HG1      THR   9  -9.836  -0.650  10.019
  280   1HG2  THR   9          1HG2      THR   9  -8.809  -0.057  13.305
  281   2HG2  THR   9          2HG2      THR   9 -10.432   0.470  12.860
  282   3HG2  THR   9          3HG2      THR   9  -9.163   1.663  13.137
  283    H    GLY  10           H        GLY  10  -6.149   1.178  10.748
  284   1HA   GLY  10          1HA       GLY  10  -4.625   3.187  11.704
  285   2HA   GLY  10          2HA       GLY  10  -5.360   2.560  13.171
  286    H    LYS  11           H        LYS  11  -5.383  -0.189  12.025
  287    HA   LYS  11           HA       LYS  11  -3.172  -1.255  13.224
  288   1HB   LYS  11          1HB       LYS  11  -5.160  -2.518  12.396
  289   2HB   LYS  11          2HB       LYS  11  -4.507  -2.402  10.768
  290   1HG   LYS  11          1HG       LYS  11  -3.993  -4.561  11.680
  291   2HG   LYS  11          2HG       LYS  11  -2.501  -3.632  11.523
  292   1HD   LYS  11          1HD       LYS  11  -2.648  -3.055  13.919
  293   2HD   LYS  11          2HD       LYS  11  -4.094  -4.058  14.049
  294   1HE   LYS  11          1HE       LYS  11  -1.341  -5.003  13.262
  295   2HE   LYS  11          2HE       LYS  11  -2.113  -5.254  14.826
  296   1HZ   LYS  11          1HZ       LYS  11  -2.219  -6.966  12.736
  297   2HZ   LYS  11          2HZ       LYS  11  -3.699  -6.158  12.605
  298   3HZ   LYS  11          3HZ       LYS  11  -3.296  -6.956  14.041
  299    H    THR  12           H        THR  12  -1.100  -1.708  12.711
  300    HA   THR  12           HA       THR  12  -0.117  -1.315  10.002
  301    HB   THR  12           HB       THR  12   1.051   0.253  12.313
  302    HG1  THR  12           HG1      THR  12  -0.327   1.745  11.742
  303   1HG2  THR  12          1HG2      THR  12   2.405  -0.647  10.174
  304   2HG2  THR  12          2HG2      THR  12   2.746   0.900  10.947
  305   3HG2  THR  12          3HG2      THR  12   1.744   0.841   9.496
  306    H    ILE  13           H        ILE  13   1.649  -2.592   9.550
  307    HA   ILE  13           HA       ILE  13   3.120  -3.813  11.760
  308    HB   ILE  13           HB       ILE  13   1.531  -5.397   9.752
  309   1HG1  ILE  13          1HG1      ILE  13   1.620  -5.426  12.776
  310   2HG1  ILE  13          2HG1      ILE  13   0.349  -4.710  11.792
  311   1HG2  ILE  13          1HG2      ILE  13   3.633  -6.470   9.754
  312   2HG2  ILE  13          2HG2      ILE  13   2.615  -7.401  10.855
  313   3HG2  ILE  13          3HG2      ILE  13   3.814  -6.279  11.500
  314   1HD1  ILE  13          1HD1      ILE  13   1.067  -7.626  11.882
  315   2HD1  ILE  13          2HD1      ILE  13  -0.223  -6.903  10.921
  316   3HD1  ILE  13          3HD1      ILE  13  -0.310  -6.869  12.682
  317    H    THR  14           H        THR  14   5.164  -4.417  11.296
  318    HA   THR  14           HA       THR  14   6.477  -3.308   9.069
  319    HB   THR  14           HB       THR  14   7.485  -5.510  10.885
  320    HG1  THR  14           HG1      THR  14   8.547  -3.385  11.736
  321   1HG2  THR  14          1HG2      THR  14   9.676  -4.875  10.235
  322   2HG2  THR  14          2HG2      THR  14   9.089  -3.438   9.399
  323   3HG2  THR  14          3HG2      THR  14   8.752  -5.039   8.741
  324    H    LEU  15           H        LEU  15   7.412  -4.268   7.252
  325    HA   LEU  15           HA       LEU  15   6.975  -7.080   6.720
  326   1HB   LEU  15          1HB       LEU  15   4.871  -5.778   6.052
  327   2HB   LEU  15          2HB       LEU  15   5.846  -5.068   4.781
  328    HG   LEU  15           HG       LEU  15   4.456  -6.934   3.977
  329   1HD1  LEU  15          1HD1      LEU  15   7.416  -7.487   3.906
  330   2HD1  LEU  15          2HD1      LEU  15   6.515  -6.447   2.802
  331   3HD1  LEU  15          3HD1      LEU  15   6.217  -8.186   2.818
  332   1HD2  LEU  15          1HD2      LEU  15   5.067  -8.146   6.342
  333   2HD2  LEU  15          2HD2      LEU  15   6.094  -9.020   5.205
  334   3HD2  LEU  15          3HD2      LEU  15   4.351  -8.947   4.944
  335    H    GLU  16           H        GLU  16   8.889  -7.717   6.036
  336    HA   GLU  16           HA       GLU  16  10.856  -5.954   5.004
  337   1HB   GLU  16          1HB       GLU  16  11.456  -7.932   6.297
  338   2HB   GLU  16          2HB       GLU  16  10.767  -8.974   5.060
  339   1HG   GLU  16          1HG       GLU  16  13.184  -8.923   4.906
  340   2HG   GLU  16          2HG       GLU  16  12.447  -8.217   3.469
  341    H    VAL  17           H        VAL  17  11.422  -5.446   2.986
  342    HA   VAL  17           HA       VAL  17  10.571  -7.075   0.736
  343    HB   VAL  17           HB       VAL  17   9.625  -5.106  -0.480
  344   1HG1  VAL  17          1HG1      VAL  17   8.214  -6.835   0.594
  345   2HG1  VAL  17          2HG1      VAL  17   7.438  -5.253   0.516
  346   3HG1  VAL  17          3HG1      VAL  17   8.128  -5.823   2.036
  347   1HG2  VAL  17          1HG2      VAL  17   9.941  -3.852   2.228
  348   2HG2  VAL  17          2HG2      VAL  17   8.726  -3.282   1.083
  349   3HG2  VAL  17          3HG2      VAL  17  10.436  -3.229   0.654
  350    H    GLU  18           H        GLU  18  12.182  -7.206  -0.665
  351    HA   GLU  18           HA       GLU  18  14.465  -5.453  -0.430
  352   1HB   GLU  18          1HB       GLU  18  13.940  -7.767  -2.304
  353   2HB   GLU  18          2HB       GLU  18  15.475  -6.926  -2.136
  354   1HG   GLU  18          1HG       GLU  18  14.075  -8.499   0.014
  355   2HG   GLU  18          2HG       GLU  18  15.477  -9.026  -0.916
  356    H    SER  19           H        SER  19  15.294  -4.109  -2.049
  357    HA   SER  19           HA       SER  19  13.507  -2.546  -3.462
  358   1HB   SER  19          1HB       SER  19  15.807  -1.840  -2.974
  359   2HB   SER  19          2HB       SER  19  16.426  -3.044  -4.105
  360    HG   SER  19           HG       SER  19  15.856  -1.819  -5.742
  361    H    SER  20           H        SER  20  15.388  -5.323  -4.597
  362    HA   SER  20           HA       SER  20  14.512  -5.191  -7.292
  363   1HB   SER  20          1HB       SER  20  16.556  -6.386  -6.653
  364   2HB   SER  20          2HB       SER  20  15.602  -7.540  -5.722
  365    HG   SER  20           HG       SER  20  16.234  -8.144  -7.951
  366    H    ASP  21           H        ASP  21  13.269  -6.728  -4.404
  367    HA   ASP  21           HA       ASP  21  11.513  -8.586  -5.424
  368   1HB   ASP  21          1HB       ASP  21  11.961  -8.263  -3.019
  369   2HB   ASP  21          2HB       ASP  21  11.048  -6.759  -3.055
  370    H    THR  22           H        THR  22   9.696  -8.544  -6.562
  371    HA   THR  22           HA       THR  22   8.708  -6.064  -7.617
  372    HB   THR  22           HB       THR  22   7.157  -7.440  -8.907
  373    HG1  THR  22           HG1      THR  22   7.298  -9.094  -6.921
  374   1HG2  THR  22          1HG2      THR  22   9.658  -7.240  -9.471
  375   2HG2  THR  22          2HG2      THR  22   8.732  -8.510 -10.270
  376   3HG2  THR  22          3HG2      THR  22   9.779  -8.907  -8.907
  377    H    ILE  23           H        ILE  23   6.573  -5.242  -7.438
  378    HA   ILE  23           HA       ILE  23   5.507  -5.025  -4.910
  379    HB   ILE  23           HB       ILE  23   3.995  -4.817  -7.520
  380   1HG1  ILE  23          1HG1      ILE  23   5.940  -3.315  -7.391
  381   2HG1  ILE  23          2HG1      ILE  23   4.429  -2.416  -7.353
  382   1HG2  ILE  23          1HG2      ILE  23   2.250  -4.822  -6.070
  383   2HG2  ILE  23          2HG2      ILE  23   2.700  -3.123  -5.925
  384   3HG2  ILE  23          3HG2      ILE  23   3.234  -4.283  -4.709
  385   1HD1  ILE  23          1HD1      ILE  23   4.641  -2.090  -4.977
  386   2HD1  ILE  23          2HD1      ILE  23   6.110  -1.549  -5.790
  387   3HD1  ILE  23          3HD1      ILE  23   6.090  -3.095  -4.940
  388    H    ASP  24           H        ASP  24   4.619  -7.309  -7.469
  389    HA   ASP  24           HA       ASP  24   2.422  -8.511  -6.253
  390   1HB   ASP  24          1HB       ASP  24   3.131  -8.922  -8.593
  391   2HB   ASP  24          2HB       ASP  24   4.503  -9.850  -7.998
  392    H    ASN  25           H        ASN  25   5.868  -9.340  -6.004
  393    HA   ASN  25           HA       ASN  25   5.599 -11.561  -4.321
  394   1HB   ASN  25          1HB       ASN  25   7.865  -9.566  -4.526
  395   2HB   ASN  25          2HB       ASN  25   7.967 -11.109  -3.688
  396   1HD2  ASN  25          1HD2      ASN  25   5.980 -11.622  -6.247
  397   2HD2  ASN  25          2HD2      ASN  25   7.136 -12.173  -7.404
  398    H    VAL  26           H        VAL  26   5.933  -8.114  -3.602
  399    HA   VAL  26           HA       VAL  26   6.158  -8.236  -0.829
  400    HB   VAL  26           HB       VAL  26   4.698  -6.144  -2.455
  401   1HG1  VAL  26          1HG1      VAL  26   4.218  -5.160  -0.526
  402   2HG1  VAL  26          2HG1      VAL  26   5.941  -5.050  -0.167
  403   3HG1  VAL  26          3HG1      VAL  26   5.019  -6.457   0.361
  404   1HG2  VAL  26          1HG2      VAL  26   6.807  -6.049  -3.347
  405   2HG2  VAL  26          2HG2      VAL  26   7.579  -6.620  -1.867
  406   3HG2  VAL  26          3HG2      VAL  26   6.995  -4.959  -1.973
  407    H    LYS  27           H        LYS  27   3.285  -8.172  -2.891
  408    HA   LYS  27           HA       LYS  27   1.369  -8.122  -0.832
  409   1HB   LYS  27          1HB       LYS  27   1.119  -9.289  -3.611
  410   2HB   LYS  27          2HB       LYS  27  -0.217  -8.871  -2.547
  411   1HG   LYS  27          1HG       LYS  27   1.785  -6.947  -3.712
  412   2HG   LYS  27          2HG       LYS  27   0.122  -7.175  -4.254
  413   1HD   LYS  27          1HD       LYS  27  -0.717  -6.394  -2.122
  414   2HD   LYS  27          2HD       LYS  27   0.926  -6.272  -1.487
  415   1HE   LYS  27          1HE       LYS  27   0.080  -4.079  -2.156
  416   2HE   LYS  27          2HE       LYS  27   1.448  -4.567  -3.156
  417   1HZ   LYS  27          1HZ       LYS  27   0.199  -4.507  -4.977
  418   2HZ   LYS  27          2HZ       LYS  27  -0.981  -3.716  -4.059
  419   3HZ   LYS  27          3HZ       LYS  27  -1.055  -5.393  -4.265
  420    H    SER  28           H        SER  28   3.043 -10.759  -2.469
  421    HA   SER  28           HA       SER  28   1.558 -12.905  -1.464
  422   1HB   SER  28          1HB       SER  28   3.249 -13.169  -3.230
  423   2HB   SER  28          2HB       SER  28   4.526 -12.791  -2.073
  424    HG   SER  28           HG       SER  28   3.213 -15.137  -2.509
  425    H    LYS  29           H        LYS  29   4.388 -11.229  -0.127
  426    HA   LYS  29           HA       LYS  29   4.671 -12.807   2.188
  427   1HB   LYS  29          1HB       LYS  29   5.363  -9.889   1.784
  428   2HB   LYS  29          2HB       LYS  29   5.954 -10.906   3.091
  429   1HG   LYS  29          1HG       LYS  29   7.074 -12.342   1.445
  430   2HG   LYS  29          2HG       LYS  29   6.515 -11.276   0.155
  431   1HD   LYS  29          1HD       LYS  29   7.752  -9.419   1.166
  432   2HD   LYS  29          2HD       LYS  29   8.315 -10.493   2.448
  433   1HE   LYS  29          1HE       LYS  29   9.438 -11.887   0.768
  434   2HE   LYS  29          2HE       LYS  29   8.892 -10.789  -0.498
  435   1HZ   LYS  29          1HZ       LYS  29  11.139 -10.266   0.087
  436   2HZ   LYS  29          2HZ       LYS  29  10.747 -10.142   1.728
  437   3HZ   LYS  29          3HZ       LYS  29  10.145  -9.007   0.628
  438    H    ILE  30           H        ILE  30   2.882  -9.805   1.585
  439    HA   ILE  30           HA       ILE  30   1.928  -9.383   4.179
  440    HB   ILE  30           HB       ILE  30   0.624  -8.661   1.545
  441   1HG1  ILE  30          1HG1      ILE  30   2.373  -7.050   3.421
  442   2HG1  ILE  30          2HG1      ILE  30   2.874  -7.708   1.867
  443   1HG2  ILE  30          1HG2      ILE  30  -0.880  -7.306   2.669
  444   2HG2  ILE  30          2HG2      ILE  30   0.101  -7.254   4.133
  445   3HG2  ILE  30          3HG2      ILE  30  -0.796  -8.717   3.724
  446   1HD1  ILE  30          1HD1      ILE  30   0.663  -5.699   2.216
  447   2HD1  ILE  30          2HD1      ILE  30   1.378  -6.253   0.701
  448   3HD1  ILE  30          3HD1      ILE  30   2.334  -5.290   1.829
  449    H    GLN  31           H        GLN  31   0.678 -11.344   1.532
  450    HA   GLN  31           HA       GLN  31  -1.798 -12.021   2.681
  451   1HB   GLN  31          1HB       GLN  31  -1.327 -12.409   0.319
  452   2HB   GLN  31          2HB       GLN  31  -0.075 -13.571   0.738
  453   1HG   GLN  31          1HG       GLN  31  -1.771 -15.018   1.751
  454   2HG   GLN  31          2HG       GLN  31  -3.017 -13.859   1.295
  455   1HE2  GLN  31          1HE2      GLN  31  -1.655 -16.688   0.460
  456   2HE2  GLN  31          2HE2      GLN  31  -1.983 -16.700  -1.236
  457    H    ASP  32           H        ASP  32   1.358 -13.632   2.776
  458    HA   ASP  32           HA       ASP  32   0.581 -15.878   4.254
  459   1HB   ASP  32          1HB       ASP  32   2.748 -15.675   3.083
  460   2HB   ASP  32          2HB       ASP  32   3.265 -14.478   4.266
  461    H    LYS  33           H        LYS  33   1.618 -12.665   5.290
  462    HA   LYS  33           HA       LYS  33   1.723 -13.300   8.063
  463   1HB   LYS  33          1HB       LYS  33   1.556 -10.647   6.633
  464   2HB   LYS  33          2HB       LYS  33   1.820 -10.822   8.361
  465   1HG   LYS  33          1HG       LYS  33   3.657 -12.195   6.455
  466   2HG   LYS  33          2HG       LYS  33   3.828 -10.463   6.735
  467   1HD   LYS  33          1HD       LYS  33   5.306 -11.620   8.228
  468   2HD   LYS  33          2HD       LYS  33   3.987 -10.936   9.176
  469   1HE   LYS  33          1HE       LYS  33   2.885 -13.125   9.205
  470   2HE   LYS  33          2HE       LYS  33   4.214 -13.804   8.266
  471   1HZ   LYS  33          1HZ       LYS  33   5.105 -12.444  10.625
  472   2HZ   LYS  33          2HZ       LYS  33   5.462 -14.006  10.083
  473   3HZ   LYS  33          3HZ       LYS  33   4.055 -13.724  10.979
  474    H    GLU  34           H        GLU  34  -0.516 -11.044   6.424
  475    HA   GLU  34           HA       GLU  34  -2.364 -11.182   8.611
  476   1HB   GLU  34          1HB       GLU  34  -2.727  -9.905   5.899
  477   2HB   GLU  34          2HB       GLU  34  -3.707  -9.614   7.328
  478   1HG   GLU  34          1HG       GLU  34  -1.769  -8.674   8.475
  479   2HG   GLU  34          2HG       GLU  34  -0.784  -8.960   7.041
  480    H    GLY  35           H        GLY  35  -2.393 -12.368   5.261
  481   1HA   GLY  35          1HA       GLY  35  -3.467 -14.367   4.585
  482   2HA   GLY  35          2HA       GLY  35  -4.446 -14.306   6.044
  483    H    ILE  36           H        ILE  36  -3.867 -11.829   3.580
  484    HA   ILE  36           HA       ILE  36  -6.764 -11.806   3.025
  485    HB   ILE  36           HB       ILE  36  -4.877  -9.447   2.930
  486   1HG1  ILE  36          1HG1      ILE  36  -5.245 -10.151   5.236
  487   2HG1  ILE  36          2HG1      ILE  36  -6.092  -8.641   4.922
  488   1HG2  ILE  36          1HG2      ILE  36  -6.895  -8.107   2.636
  489   2HG2  ILE  36          2HG2      ILE  36  -7.876  -9.573   2.636
  490   3HG2  ILE  36          3HG2      ILE  36  -6.718  -9.287   1.337
  491   1HD1  ILE  36          1HD1      ILE  36  -7.868  -9.607   5.827
  492   2HD1  ILE  36          2HD1      ILE  36  -7.119 -11.203   5.772
  493   3HD1  ILE  36          3HD1      ILE  36  -7.973 -10.581   4.360
  494    HA   PRO  37           HA       PRO  37  -5.760 -12.863  -1.178
  495   1HB   PRO  37          1HB       PRO  37  -8.085 -11.109  -1.806
  496   2HB   PRO  37          2HB       PRO  37  -7.761 -12.772  -2.309
  497   1HG   PRO  37          1HG       PRO  37  -9.560 -12.258  -0.418
  498   2HG   PRO  37          2HG       PRO  37  -8.485 -13.663  -0.292
  499   1HD   PRO  37          1HD       PRO  37  -8.365 -11.047   1.143
  500   2HD   PRO  37          2HD       PRO  37  -7.979 -12.677   1.731
  501    HA   PRO  38           HA       PRO  38  -3.307  -9.374  -2.461
  502   1HB   PRO  38          1HB       PRO  38  -3.346 -10.706  -5.107
  503   2HB   PRO  38          2HB       PRO  38  -1.971 -10.237  -4.102
  504   1HG   PRO  38          1HG       PRO  38  -2.681 -12.797  -4.347
  505   2HG   PRO  38          2HG       PRO  38  -2.100 -12.150  -2.801
  506   1HD   PRO  38          1HD       PRO  38  -4.900 -12.749  -3.675
  507   2HD   PRO  38          2HD       PRO  38  -4.128 -13.028  -2.100
  508    H    ASP  39           H        ASP  39  -5.807 -10.562  -4.706
  509    HA   ASP  39           HA       ASP  39  -6.048  -8.254  -6.242
  510   1HB   ASP  39          1HB       ASP  39  -8.318  -9.102  -6.822
  511   2HB   ASP  39          2HB       ASP  39  -7.055 -10.318  -6.972
  512    H    GLN  40           H        GLN  40  -7.616  -9.119  -3.196
  513    HA   GLN  40           HA       GLN  40  -9.384  -6.906  -3.123
  514   1HB   GLN  40          1HB       GLN  40  -8.266  -8.572  -0.862
  515   2HB   GLN  40          2HB       GLN  40  -9.596  -7.432  -0.711
  516   1HG   GLN  40          1HG       GLN  40 -10.902  -8.762  -2.301
  517   2HG   GLN  40          2HG       GLN  40  -9.573  -9.913  -2.414
  518   1HE2  GLN  40          1HE2      GLN  40  -9.574  -8.834   0.685
  519   2HE2  GLN  40          2HE2      GLN  40 -10.556 -10.049   1.417
  520    H    GLN  41           H        GLN  41  -6.174  -7.464  -1.717
  521    HA   GLN  41           HA       GLN  41  -5.984  -4.996  -0.367
  522   1HB   GLN  41          1HB       GLN  41  -3.791  -6.785  -1.424
  523   2HB   GLN  41          2HB       GLN  41  -3.554  -5.457  -0.298
  524   1HG   GLN  41          1HG       GLN  41  -4.970  -6.596   1.336
  525   2HG   GLN  41          2HG       GLN  41  -5.190  -7.931   0.207
  526   1HE2  GLN  41          1HE2      GLN  41  -2.135  -6.863  -0.290
  527   2HE2  GLN  41          2HE2      GLN  41  -1.280  -7.908   0.784
  528    H    ARG  42           H        ARG  42  -5.495  -3.004  -1.028
  529    HA   ARG  42           HA       ARG  42  -4.451  -2.658  -3.765
  530   1HB   ARG  42          1HB       ARG  42  -6.814  -1.912  -3.526
  531   2HB   ARG  42          2HB       ARG  42  -6.305  -0.785  -2.277
  532   1HG   ARG  42          1HG       ARG  42  -6.597   0.356  -4.390
  533   2HG   ARG  42          2HG       ARG  42  -4.901   0.384  -3.904
  534   1HD   ARG  42          1HD       ARG  42  -4.429  -1.469  -5.421
  535   2HD   ARG  42          2HD       ARG  42  -6.128  -1.527  -5.891
  536    HE   ARG  42           HE       ARG  42  -5.161   1.059  -6.355
  537   1HH1  ARG  42          1HH1      ARG  42  -4.766  -2.188  -7.554
  538   2HH1  ARG  42          2HH1      ARG  42  -4.338  -1.683  -9.154
  539   1HH2  ARG  42          1HH2      ARG  42  -4.598   1.734  -8.460
  540   2HH2  ARG  42          2HH2      ARG  42  -4.243   0.546  -9.670
  541    H    LEU  43           H        LEU  43  -2.383  -2.100  -3.595
  542    HA   LEU  43           HA       LEU  43  -1.344  -0.794  -1.258
  543   1HB   LEU  43          1HB       LEU  43  -0.211  -2.561  -2.735
  544   2HB   LEU  43          2HB       LEU  43   0.139  -1.241  -3.831
  545    HG   LEU  43           HG       LEU  43   1.409  -0.110  -2.053
  546   1HD1  LEU  43          1HD1      LEU  43   1.750  -0.985   0.066
  547   2HD1  LEU  43          2HD1      LEU  43   1.240  -2.604  -0.412
  548   3HD1  LEU  43          3HD1      LEU  43   0.042  -1.322  -0.224
  549   1HD2  LEU  43          1HD2      LEU  43   2.377  -1.842  -3.677
  550   2HD2  LEU  43          2HD2      LEU  43   2.430  -2.918  -2.280
  551   3HD2  LEU  43          3HD2      LEU  43   3.338  -1.406  -2.264
  552    H    ILE  44           H        ILE  44  -0.947   1.301  -0.945
  553    HA   ILE  44           HA       ILE  44  -0.909   3.116  -3.252
  554    HB   ILE  44           HB       ILE  44  -2.502   3.626  -0.734
  555   1HG1  ILE  44          1HG1      ILE  44  -3.422   3.100  -3.571
  556   2HG1  ILE  44          2HG1      ILE  44  -3.577   1.984  -2.219
  557   1HG2  ILE  44          1HG2      ILE  44  -3.299   5.522  -2.464
  558   2HG2  ILE  44          2HG2      ILE  44  -1.623   5.332  -2.977
  559   3HG2  ILE  44          3HG2      ILE  44  -1.991   5.753  -1.304
  560   1HD1  ILE  44          1HD1      ILE  44  -5.148   4.392  -2.886
  561   2HD1  ILE  44          2HD1      ILE  44  -4.852   4.075  -1.175
  562   3HD1  ILE  44          3HD1      ILE  44  -5.654   2.860  -2.170
  563    H    PHE  45           H        PHE  45   0.475   4.820  -3.084
  564    HA   PHE  45           HA       PHE  45   1.562   5.775  -0.643
  565   1HB   PHE  45          1HB       PHE  45   2.783   3.622  -0.770
  566   2HB   PHE  45          2HB       PHE  45   3.413   4.089  -2.346
  567    HD1  PHE  45           HD1      PHE  45   5.644   4.584  -2.240
  568    HD2  PHE  45           HD2      PHE  45   3.113   5.828   0.949
  569    HE1  PHE  45           HE1      PHE  45   7.559   5.682  -1.152
  570    HE2  PHE  45           HE2      PHE  45   5.023   6.930   2.040
  571    HZ   PHE  45           HZ       PHE  45   7.249   6.857   0.989
  572    H    ALA  46           H        ALA  46   2.856   7.617  -0.932
  573    HA   ALA  46           HA       ALA  46   3.383   9.587  -1.948
  574   1HB   ALA  46          1HB       ALA  46   5.227   9.213  -3.119
  575   2HB   ALA  46          2HB       ALA  46   4.281   8.616  -4.483
  576   3HB   ALA  46          3HB       ALA  46   4.792   7.506  -3.211
  577    H    GLY  47           H        GLY  47   0.687   8.830  -2.247
  578   1HA   GLY  47          1HA       GLY  47  -1.190   9.494  -3.377
  579   2HA   GLY  47          2HA       GLY  47  -0.160  10.640  -4.219
  580    H    LYS  48           H        LYS  48   0.116   7.104  -4.303
  581    HA   LYS  48           HA       LYS  48  -1.233   6.855  -6.807
  582   1HB   LYS  48          1HB       LYS  48   0.726   6.205  -8.161
  583   2HB   LYS  48          2HB       LYS  48   0.766   7.897  -7.685
  584   1HG   LYS  48          1HG       LYS  48   2.415   7.429  -5.996
  585   2HG   LYS  48          2HG       LYS  48   2.294   5.696  -6.311
  586   1HD   LYS  48          1HD       LYS  48   3.098   6.074  -8.604
  587   2HD   LYS  48          2HD       LYS  48   3.251   7.797  -8.257
  588   1HE   LYS  48          1HE       LYS  48   4.718   5.598  -6.804
  589   2HE   LYS  48          2HE       LYS  48   5.397   6.577  -8.103
  590   1HZ   LYS  48          1HZ       LYS  48   5.348   7.158  -5.391
  591   2HZ   LYS  48          2HZ       LYS  48   4.297   8.259  -6.128
  592   3HZ   LYS  48          3HZ       LYS  48   5.902   8.145  -6.648
  593    H    GLN  49           H        GLN  49  -1.864   4.818  -7.133
  594    HA   GLN  49           HA       GLN  49  -1.260   2.838  -5.165
  595   1HB   GLN  49          1HB       GLN  49  -2.780   2.565  -7.767
  596   2HB   GLN  49          2HB       GLN  49  -2.754   1.382  -6.468
  597   1HG   GLN  49          1HG       GLN  49  -4.760   2.480  -6.146
  598   2HG   GLN  49          2HG       GLN  49  -3.681   3.274  -5.002
  599   1HE2  GLN  49          1HE2      GLN  49  -3.030   4.101  -8.218
  600   2HE2  GLN  49          2HE2      GLN  49  -3.843   5.624  -8.246
  601    H    LEU  50           H        LEU  50   0.264   1.310  -5.207
  602    HA   LEU  50           HA       LEU  50   2.144   1.275  -7.381
  603   1HB   LEU  50          1HB       LEU  50   1.968  -0.282  -4.809
  604   2HB   LEU  50          2HB       LEU  50   3.237  -0.543  -5.989
  605    HG   LEU  50           HG       LEU  50   3.938   1.823  -5.719
  606   1HD1  LEU  50          1HD1      LEU  50   2.357   3.193  -4.912
  607   2HD1  LEU  50          2HD1      LEU  50   2.937   2.649  -3.335
  608   3HD1  LEU  50          3HD1      LEU  50   1.521   1.891  -4.062
  609   1HD2  LEU  50          1HD2      LEU  50   4.080  -0.263  -3.678
  610   2HD2  LEU  50          2HD2      LEU  50   4.413   1.359  -3.072
  611   3HD2  LEU  50          3HD2      LEU  50   5.361   0.705  -4.407
  612    H    GLU  51           H        GLU  51   2.131   0.009  -9.097
  613    HA   GLU  51           HA       GLU  51   0.101  -1.997  -9.420
  614   1HB   GLU  51          1HB       GLU  51   2.325  -1.052 -11.217
  615   2HB   GLU  51          2HB       GLU  51   1.165  -2.292 -11.677
  616   1HG   GLU  51          1HG       GLU  51   0.480   0.535 -10.907
  617   2HG   GLU  51          2HG       GLU  51   0.585  -0.085 -12.550
  618    H    ASP  52           H        ASP  52   0.290  -4.151  -9.304
  619    HA   ASP  52           HA       ASP  52   2.437  -5.339  -7.945
  620   1HB   ASP  52          1HB       ASP  52   0.295  -6.639  -9.640
  621   2HB   ASP  52          2HB       ASP  52   1.348  -7.486  -8.510
  622    H    GLY  53           H        GLY  53   4.114  -6.672  -8.608
  623   1HA   GLY  53          1HA       GLY  53   5.422  -7.847 -10.180
  624   2HA   GLY  53          2HA       GLY  53   4.536  -7.058 -11.474
  625    H    ARG  54           H        ARG  54   4.884  -4.375 -10.400
  626    HA   ARG  54           HA       ARG  54   7.327  -3.726 -11.660
  627   1HB   ARG  54          1HB       ARG  54   5.584  -2.067  -9.832
  628   2HB   ARG  54          2HB       ARG  54   6.921  -1.434 -10.783
  629   1HG   ARG  54          1HG       ARG  54   5.771  -2.129 -12.837
  630   2HG   ARG  54          2HG       ARG  54   4.419  -2.714 -11.865
  631   1HD   ARG  54          1HD       ARG  54   4.055  -0.458 -11.004
  632   2HD   ARG  54          2HD       ARG  54   5.419   0.131 -11.954
  633    HE   ARG  54           HE       ARG  54   2.776  -0.225 -12.865
  634   1HH1  ARG  54          1HH1      ARG  54   6.079  -0.684 -13.890
  635   2HH1  ARG  54          2HH1      ARG  54   5.711  -0.525 -15.574
  636   1HH2  ARG  54          1HH2      ARG  54   2.290  -0.010 -15.080
  637   2HH2  ARG  54          2HH2      ARG  54   3.560  -0.142 -16.250
  638    H    THR  55           H        THR  55   9.341  -3.319 -10.897
  639    HA   THR  55           HA       THR  55  10.072  -4.380  -8.360
  640    HB   THR  55           HB       THR  55  12.348  -3.591  -8.890
  641    HG1  THR  55           HG1      THR  55  10.938  -2.180 -10.870
  642   1HG2  THR  55          1HG2      THR  55  11.519  -5.724  -9.815
  643   2HG2  THR  55          2HG2      THR  55  12.698  -4.950 -10.873
  644   3HG2  THR  55          3HG2      THR  55  10.980  -4.868 -11.260
  645    H    LEU  56           H        LEU  56  10.596  -3.394  -6.472
  646    HA   LEU  56           HA       LEU  56   9.452  -0.930  -5.816
  647   1HB   LEU  56          1HB       LEU  56  11.642  -2.473  -4.426
  648   2HB   LEU  56          2HB       LEU  56  10.820  -1.090  -3.732
  649    HG   LEU  56           HG       LEU  56   9.491  -3.694  -4.494
  650   1HD1  LEU  56          1HD1      LEU  56  11.139  -3.379  -2.403
  651   2HD1  LEU  56          2HD1      LEU  56   9.710  -4.412  -2.361
  652   3HD1  LEU  56          3HD1      LEU  56   9.641  -2.782  -1.689
  653   1HD2  LEU  56          1HD2      LEU  56   8.068  -1.978  -2.660
  654   2HD2  LEU  56          2HD2      LEU  56   7.527  -2.702  -4.174
  655   3HD2  LEU  56          3HD2      LEU  56   8.380  -1.159  -4.191
  656    H    SER  57           H        SER  57  12.677  -1.748  -6.909
  657    HA   SER  57           HA       SER  57  14.107   0.506  -6.233
  658   1HB   SER  57          1HB       SER  57  15.527   0.015  -8.200
  659   2HB   SER  57          2HB       SER  57  15.142  -1.441  -7.283
  660    HG   SER  57           HG       SER  57  13.359  -1.676  -8.865
  661    H    ASP  58           H        ASP  58  11.907   0.052  -8.963
  662    HA   ASP  58           HA       ASP  58  12.436   2.386 -10.378
  663   1HB   ASP  58          1HB       ASP  58  10.970   0.550 -11.179
  664   2HB   ASP  58          2HB       ASP  58   9.746   1.047 -10.017
  665    H    TYR  59           H        TYR  59  10.068   1.854  -7.776
  666    HA   TYR  59           HA       TYR  59   9.216   4.572  -7.716
  667   1HB   TYR  59          1HB       TYR  59   8.876   2.349  -5.696
  668   2HB   TYR  59          2HB       TYR  59   8.093   3.921  -5.585
  669    HD1  TYR  59           HD1      TYR  59   8.494   1.168  -8.096
  670    HD2  TYR  59           HD2      TYR  59   5.918   4.045  -6.314
  671    HE1  TYR  59           HE1      TYR  59   6.628   0.332  -9.461
  672    HE2  TYR  59           HE2      TYR  59   4.043   3.217  -7.673
  673    HH   TYR  59           HH       TYR  59   4.127   1.758 -10.230
  674    H    ASN  60           H        ASN  60  11.723   2.755  -6.114
  675    HA   ASN  60           HA       ASN  60  13.448   3.368  -4.767
  676   1HB   ASN  60          1HB       ASN  60  13.639   5.222  -6.481
  677   2HB   ASN  60          2HB       ASN  60  12.708   6.235  -5.382
  678   1HD2  ASN  60          1HD2      ASN  60  15.730   5.497  -6.362
  679   2HD2  ASN  60          2HD2      ASN  60  16.625   5.976  -4.965
  680    H    ILE  61           H        ILE  61  11.359   2.608  -3.406
  681    HA   ILE  61           HA       ILE  61  10.207   4.489  -1.633
  682    HB   ILE  61           HB       ILE  61  10.514   1.508  -1.261
  683   1HG1  ILE  61          1HG1      ILE  61   8.243   3.104  -2.470
  684   2HG1  ILE  61          2HG1      ILE  61   9.387   2.117  -3.374
  685   1HG2  ILE  61          1HG2      ILE  61   9.952   2.561   0.819
  686   2HG2  ILE  61          2HG2      ILE  61   8.507   1.774   0.186
  687   3HG2  ILE  61          3HG2      ILE  61   8.693   3.523   0.045
  688   1HD1  ILE  61          1HD1      ILE  61   8.469   0.286  -1.641
  689   2HD1  ILE  61          2HD1      ILE  61   7.747   0.595  -3.221
  690   3HD1  ILE  61          3HD1      ILE  61   7.051   1.327  -1.775
  691    H    GLN  62           H        GLN  62  10.886   5.304   0.248
  692    HA   GLN  62           HA       GLN  62  13.585   4.855   1.103
  693   1HB   GLN  62          1HB       GLN  62  11.376   6.485   2.370
  694   2HB   GLN  62          2HB       GLN  62  13.068   6.523   2.846
  695   1HG   GLN  62          1HG       GLN  62  11.957   7.350   0.173
  696   2HG   GLN  62          2HG       GLN  62  12.507   8.427   1.456
  697   1HE2  GLN  62          1HE2      GLN  62  13.351   7.151  -1.406
  698   2HE2  GLN  62          2HE2      GLN  62  15.072   7.189  -1.268
  699    H    LYS  63           H        LYS  63  14.307   3.956   3.031
  700    HA   LYS  63           HA       LYS  63  13.048   1.669   3.954
  701   1HB   LYS  63          1HB       LYS  63  15.455   2.147   4.194
  702   2HB   LYS  63          2HB       LYS  63  15.084   3.377   5.394
  703   1HG   LYS  63          1HG       LYS  63  14.146   1.685   6.858
  704   2HG   LYS  63          2HG       LYS  63  14.477   0.447   5.649
  705   1HD   LYS  63          1HD       LYS  63  16.220   0.334   7.269
  706   2HD   LYS  63          2HD       LYS  63  16.904   1.061   5.816
  707   1HE   LYS  63          1HE       LYS  63  15.907   2.621   8.197
  708   2HE   LYS  63          2HE       LYS  63  17.591   2.171   7.941
  709   1HZ   LYS  63          1HZ       LYS  63  17.677   4.166   6.948
  710   2HZ   LYS  63          2HZ       LYS  63  16.012   4.235   6.661
  711   3HZ   LYS  63          3HZ       LYS  63  17.013   3.355   5.620
  712    H    GLU  64           H        GLU  64  11.856   1.163   5.780
  713    HA   GLU  64           HA       GLU  64  10.314   1.433   7.427
  714   1HB   GLU  64          1HB       GLU  64  11.775   4.040   7.893
  715   2HB   GLU  64          2HB       GLU  64  10.580   3.347   8.981
  716   1HG   GLU  64          1HG       GLU  64  13.182   2.039   8.221
  717   2HG   GLU  64          2HG       GLU  64  12.900   2.954   9.701
  718    H    SER  65           H        SER  65   9.551   2.103   4.843
  719    HA   SER  65           HA       SER  65   8.048   4.581   4.954
  720   1HB   SER  65          1HB       SER  65   9.098   3.952   2.840
  721   2HB   SER  65          2HB       SER  65   8.188   2.442   2.817
  722    HG   SER  65           HG       SER  65   7.030   5.033   2.799
  723    H    THR  66           H        THR  66   5.826   4.769   4.992
  724    HA   THR  66           HA       THR  66   4.394   2.369   5.906
  725    HB   THR  66           HB       THR  66   3.672   5.282   6.292
  726    HG1  THR  66           HG1      THR  66   5.282   4.894   7.709
  727   1HG2  THR  66          1HG2      THR  66   2.189   3.959   8.099
  728   2HG2  THR  66          2HG2      THR  66   2.243   2.745   6.820
  729   3HG2  THR  66          3HG2      THR  66   1.607   4.355   6.482
  730    H    LEU  67           H        LEU  67   3.483   1.415   4.170
  731    HA   LEU  67           HA       LEU  67   2.255   3.052   2.090
  732   1HB   LEU  67          1HB       LEU  67   2.899   0.126   2.301
  733   2HB   LEU  67          2HB       LEU  67   1.847   0.738   1.041
  734    HG   LEU  67           HG       LEU  67   3.703   2.216   0.275
  735   1HD1  LEU  67          1HD1      LEU  67   5.387   0.607   2.185
  736   2HD1  LEU  67          2HD1      LEU  67   4.925   2.293   2.418
  737   3HD1  LEU  67          3HD1      LEU  67   5.947   1.839   1.054
  738   1HD2  LEU  67          1HD2      LEU  67   5.043   0.387  -0.722
  739   2HD2  LEU  67          2HD2      LEU  67   3.303   0.141  -0.867
  740   3HD2  LEU  67          3HD2      LEU  67   4.222  -0.751   0.345
  741    H    HIS  68           H        HIS  68   0.124   3.280   1.790
  742    HA   HIS  68           HA       HIS  68  -1.662   2.317   3.838
  743   1HB   HIS  68          1HB       HIS  68  -2.203   3.974   1.368
  744   2HB   HIS  68          2HB       HIS  68  -3.367   3.650   2.649
  745    HD1  HIS  68           HD1      HIS  68  -2.206   4.391   5.162
  746    HD2  HIS  68           HD2      HIS  68  -1.102   6.405   1.699
  747    HE1  HIS  68           HE1      HIS  68  -1.278   6.596   5.935
  748    HE2  HIS  68           HE2      HIS  68  -0.573   7.780   3.825
  749    H    LEU  69           H        LEU  69  -3.302   0.850   3.635
  750    HA   LEU  69           HA       LEU  69  -3.410  -0.653   1.102
  751   1HB   LEU  69          1HB       LEU  69  -2.326  -2.038   2.694
  752   2HB   LEU  69          2HB       LEU  69  -3.476  -1.628   3.948
  753    HG   LEU  69           HG       LEU  69  -4.439  -3.095   1.519
  754   1HD1  LEU  69          1HD1      LEU  69  -3.445  -5.032   2.025
  755   2HD1  LEU  69          2HD1      LEU  69  -3.689  -4.804   3.757
  756   3HD1  LEU  69          3HD1      LEU  69  -2.306  -4.059   2.955
  757   1HD2  LEU  69          1HD2      LEU  69  -6.308  -3.173   2.714
  758   2HD2  LEU  69          2HD2      LEU  69  -5.524  -2.254   3.998
  759   3HD2  LEU  69          3HD2      LEU  69  -5.459  -4.017   4.009
  760    H    VAL  70           H        VAL  70  -5.360  -0.917   0.185
  761    HA   VAL  70           HA       VAL  70  -7.760  -0.317   1.790
  762    HB   VAL  70           HB       VAL  70  -7.330   0.390  -1.124
  763   1HG1  VAL  70          1HG1      VAL  70  -9.710   0.706   0.694
  764   2HG1  VAL  70          2HG1      VAL  70  -9.619  -0.167  -0.836
  765   3HG1  VAL  70          3HG1      VAL  70  -9.526   1.596  -0.820
  766   1HG2  VAL  70          1HG2      VAL  70  -7.443   2.108   1.347
  767   2HG2  VAL  70          2HG2      VAL  70  -7.595   2.740  -0.295
  768   3HG2  VAL  70          3HG2      VAL  70  -6.105   1.937   0.210
  769    H    LEU  71           H        LEU  71  -9.112  -1.998   1.877
  770    HA   LEU  71           HA       LEU  71  -8.727  -4.182  -0.020
  771   1HB   LEU  71          1HB       LEU  71 -10.320  -4.069   2.540
  772   2HB   LEU  71          2HB       LEU  71 -10.079  -5.501   1.555
  773    HG   LEU  71           HG       LEU  71  -7.874  -3.973   2.941
  774   1HD1  LEU  71          1HD1      LEU  71  -8.882  -6.702   3.663
  775   2HD1  LEU  71          2HD1      LEU  71  -9.538  -5.238   4.398
  776   3HD1  LEU  71          3HD1      LEU  71  -7.828  -5.630   4.585
  777   1HD2  LEU  71          1HD2      LEU  71  -6.913  -6.451   2.366
  778   2HD2  LEU  71          2HD2      LEU  71  -6.629  -5.009   1.391
  779   3HD2  LEU  71          3HD2      LEU  71  -7.922  -6.127   0.956
  780    H    ARG  72           H        ARG  72  -9.974  -4.380  -1.708
  781    HA   ARG  72           HA       ARG  72 -12.201  -2.780  -2.271
  782   1HB   ARG  72          1HB       ARG  72 -11.148  -5.330  -3.461
  783   2HB   ARG  72          2HB       ARG  72 -12.648  -4.623  -4.040
  784   1HG   ARG  72          1HG       ARG  72 -10.801  -3.971  -5.452
  785   2HG   ARG  72          2HG       ARG  72 -11.454  -2.566  -4.612
  786   1HD   ARG  72          1HD       ARG  72  -9.632  -2.714  -2.974
  787   2HD   ARG  72          2HD       ARG  72  -8.974  -4.101  -3.843
  788    HE   ARG  72           HE       ARG  72  -7.953  -2.611  -5.220
  789   1HH1  ARG  72          1HH1      ARG  72 -10.824  -1.089  -3.947
  790   2HH1  ARG  72          2HH1      ARG  72 -10.562   0.398  -4.795
  791   1HH2  ARG  72          1HH2      ARG  72  -7.609  -0.658  -6.337
  792   2HH2  ARG  72          2HH2      ARG  72  -8.737   0.644  -6.152
  793    H    LEU  73           H        LEU  73 -14.349  -3.002  -1.954
  794    HA   LEU  73           HA       LEU  73 -15.317  -4.701   0.061
  795   1HB   LEU  73          1HB       LEU  73 -16.880  -3.279  -2.097
  796   2HB   LEU  73          2HB       LEU  73 -17.547  -3.936  -0.615
  797    HG   LEU  73           HG       LEU  73 -15.573  -1.657  -0.791
  798   1HD1  LEU  73          1HD1      LEU  73 -17.652  -0.486   0.253
  799   2HD1  LEU  73          2HD1      LEU  73 -18.540  -1.800  -0.518
  800   3HD1  LEU  73          3HD1      LEU  73 -17.550  -0.713  -1.493
  801   1HD2  LEU  73          1HD2      LEU  73 -15.726  -1.452   1.546
  802   2HD2  LEU  73          2HD2      LEU  73 -15.463  -3.171   1.250
  803   3HD2  LEU  73          3HD2      LEU  73 -17.078  -2.579   1.640
  804    H    ARG  74           H        ARG  74 -16.218  -6.685   0.041
  805    HA   ARG  74           HA       ARG  74 -16.899  -8.732  -0.678
  806   1HB   ARG  74          1HB       ARG  74 -17.487  -7.279  -3.265
  807   2HB   ARG  74          2HB       ARG  74 -18.025  -8.905  -2.870
  808   1HG   ARG  74          1HG       ARG  74 -19.379  -8.053  -1.055
  809   2HG   ARG  74          2HG       ARG  74 -18.784  -6.418  -1.350
  810   1HD   ARG  74          1HD       ARG  74 -19.777  -6.481  -3.597
  811   2HD   ARG  74          2HD       ARG  74 -20.395  -8.098  -3.270
  812    HE   ARG  74           HE       ARG  74 -21.612  -5.675  -2.534
  813   1HH1  ARG  74          1HH1      ARG  74 -20.921  -8.831  -1.223
  814   2HH1  ARG  74          2HH1      ARG  74 -22.278  -8.821  -0.148
  815   1HH2  ARG  74          1HH2      ARG  74 -23.401  -5.658  -1.123
  816   2HH2  ARG  74          2HH2      ARG  74 -23.689  -7.020  -0.094
  817    H    GLY  75           H        GLY  75 -15.787 -10.494  -1.323
  818   1HA   GLY  75          1HA       GLY  75 -14.211 -10.670  -3.652
  819   2HA   GLY  75          2HA       GLY  75 -13.171 -10.259  -2.297
  820    H    GLY  76           H        GLY  76 -14.419 -11.727  -0.271
  821   1HA   GLY  76          1HA       GLY  76 -13.232 -14.242  -0.588
  822   2HA   GLY  76          2HA       GLY  76 -14.396 -13.824   0.660
  Start of MODEL   18
    1   1H    TYR 255          1H        TYR 255  24.016  -3.243  -8.224
    2   2H    TYR 255          2H        TYR 255  25.278  -2.377  -7.504
    3   3H    TYR 255          3H        TYR 255  23.875  -1.572  -7.998
    4    HA   TYR 255           HA       TYR 255  23.697  -3.739  -6.022
    5   1HB   TYR 255          1HB       TYR 255  25.468  -2.252  -5.220
    6   2HB   TYR 255          2HB       TYR 255  24.435  -0.851  -5.477
    7    HD1  TYR 255           HD1      TYR 255  24.052  -4.158  -3.747
    8    HD2  TYR 255           HD2      TYR 255  23.681   0.074  -3.518
    9    HE1  TYR 255           HE1      TYR 255  23.201  -4.362  -1.449
   10    HE2  TYR 255           HE2      TYR 255  22.831  -0.120  -1.220
   11    HH   TYR 255           HH       TYR 255  22.133  -1.517   0.375
   12    HA   PRO 256           HA       PRO 256  19.438  -2.532  -6.738
   13   1HB   PRO 256          1HB       PRO 256  18.926  -4.143  -4.315
   14   2HB   PRO 256          2HB       PRO 256  18.280  -4.334  -5.947
   15   1HG   PRO 256          1HG       PRO 256  20.092  -6.039  -4.963
   16   2HG   PRO 256          2HG       PRO 256  20.106  -5.557  -6.671
   17   1HD   PRO 256          1HD       PRO 256  21.834  -4.603  -4.418
   18   2HD   PRO 256          2HD       PRO 256  22.277  -4.984  -6.096
   19    H    GLU 257           H        GLU 257  18.285  -0.833  -6.013
   20    HA   GLU 257           HA       GLU 257  19.208   0.793  -3.928
   21   1HB   GLU 257          1HB       GLU 257  17.124   2.063  -4.228
   22   2HB   GLU 257          2HB       GLU 257  17.886   1.685  -5.766
   23   1HG   GLU 257          1HG       GLU 257  16.307  -0.157  -6.087
   24   2HG   GLU 257          2HG       GLU 257  15.538   0.244  -4.552
   25    H    ASP 258           H        ASP 258  18.517   1.151  -1.846
   26    HA   ASP 258           HA       ASP 258  17.765  -0.997  -0.283
   27   1HB   ASP 258          1HB       ASP 258  18.811   1.122   0.534
   28   2HB   ASP 258          2HB       ASP 258  17.247   1.912   0.368
   29    H    GLU 259           H        GLU 259  15.776   1.186  -2.094
   30    HA   GLU 259           HA       GLU 259  13.331   0.936  -0.794
   31   1HB   GLU 259          1HB       GLU 259  13.674   2.548  -2.564
   32   2HB   GLU 259          2HB       GLU 259  13.944   1.262  -3.733
   33   1HG   GLU 259          1HG       GLU 259  11.616   0.507  -3.359
   34   2HG   GLU 259          2HG       GLU 259  11.373   1.907  -2.316
   35    H    GLU 260           H        GLU 260  14.790  -1.128  -3.282
   36    HA   GLU 260           HA       GLU 260  12.636  -2.813  -3.771
   37   1HB   GLU 260          1HB       GLU 260  15.590  -3.448  -3.799
   38   2HB   GLU 260          2HB       GLU 260  14.343  -4.488  -4.471
   39   1HG   GLU 260          1HG       GLU 260  14.930  -1.677  -5.376
   40   2HG   GLU 260          2HG       GLU 260  15.492  -3.144  -6.173
   41    H    GLU 261           H        GLU 261  15.097  -3.014  -1.229
   42    HA   GLU 261           HA       GLU 261  14.435  -5.535  -0.232
   43   1HB   GLU 261          1HB       GLU 261  15.635  -3.107   1.078
   44   2HB   GLU 261          2HB       GLU 261  15.371  -4.602   1.965
   45   1HG   GLU 261          1HG       GLU 261  17.657  -4.437   1.162
   46   2HG   GLU 261          2HG       GLU 261  16.816  -5.797   0.422
   47    H    LEU 262           H        LEU 262  13.277  -2.348   0.899
   48    HA   LEU 262           HA       LEU 262  11.541  -3.346   2.860
   49   1HB   LEU 262          1HB       LEU 262  11.653  -0.772   1.329
   50   2HB   LEU 262          2HB       LEU 262  10.324  -1.092   2.424
   51    HG   LEU 262           HG       LEU 262  12.045   0.262   3.498
   52   1HD1  LEU 262          1HD1      LEU 262  12.337  -1.059   5.512
   53   2HD1  LEU 262          2HD1      LEU 262  11.946  -2.532   4.626
   54   3HD1  LEU 262          3HD1      LEU 262  10.716  -1.288   4.856
   55   1HD2  LEU 262          1HD2      LEU 262  14.014  -0.409   2.324
   56   2HD2  LEU 262          2HD2      LEU 262  13.847  -2.073   2.885
   57   3HD2  LEU 262          3HD2      LEU 262  14.244  -0.793   4.030
   58    H    ILE 263           H        ILE 263  10.864  -2.401  -0.500
   59    HA   ILE 263           HA       ILE 263   8.141  -2.842  -0.551
   60    HB   ILE 263           HB       ILE 263  10.252  -3.078  -2.654
   61   1HG1  ILE 263          1HG1      ILE 263   7.883  -1.234  -2.341
   62   2HG1  ILE 263          2HG1      ILE 263   9.536  -0.855  -1.869
   63   1HG2  ILE 263          1HG2      ILE 263   8.865  -4.645  -3.595
   64   2HG2  ILE 263          2HG2      ILE 263   8.159  -3.163  -4.241
   65   3HG2  ILE 263          3HG2      ILE 263   7.417  -3.962  -2.855
   66   1HD1  ILE 263          1HD1      ILE 263   8.274  -0.833  -4.508
   67   2HD1  ILE 263          2HD1      ILE 263   9.883  -1.554  -4.462
   68   3HD1  ILE 263          3HD1      ILE 263   9.639   0.096  -3.888
   69    H    ARG 264           H        ARG 264  10.676  -5.228  -1.410
   70    HA   ARG 264           HA       ARG 264   8.879  -7.347  -1.817
   71   1HB   ARG 264          1HB       ARG 264  10.799  -8.831  -1.672
   72   2HB   ARG 264          2HB       ARG 264  11.154  -7.428  -2.668
   73   1HG   ARG 264          1HG       ARG 264  12.360  -6.412  -0.788
   74   2HG   ARG 264          2HG       ARG 264  12.027  -7.847   0.184
   75   1HD   ARG 264          1HD       ARG 264  13.619  -7.751  -2.377
   76   2HD   ARG 264          2HD       ARG 264  14.272  -7.940  -0.751
   77    HE   ARG 264           HE       ARG 264  12.414  -9.982  -1.197
   78   1HH1  ARG 264          1HH1      ARG 264  15.539  -8.947  -2.336
   79   2HH1  ARG 264          2HH1      ARG 264  16.065 -10.546  -2.741
   80   1HH2  ARG 264          1HH2      ARG 264  13.095 -12.091  -1.727
   81   2HH2  ARG 264          2HH2      ARG 264  14.675 -12.335  -2.396
   82    H    LYS 265           H        LYS 265  10.479  -6.188   1.114
   83    HA   LYS 265           HA       LYS 265   9.969  -8.357   2.791
   84   1HB   LYS 265          1HB       LYS 265  10.001  -5.394   3.377
   85   2HB   LYS 265          2HB       LYS 265   9.818  -6.609   4.633
   86   1HG   LYS 265          1HG       LYS 265  11.990  -7.556   4.033
   87   2HG   LYS 265          2HG       LYS 265  12.174  -6.330   2.780
   88   1HD   LYS 265          1HD       LYS 265  12.087  -4.575   4.484
   89   2HD   LYS 265          2HD       LYS 265  11.897  -5.802   5.738
   90   1HE   LYS 265          1HE       LYS 265  14.079  -6.739   5.149
   91   2HE   LYS 265          2HE       LYS 265  14.268  -5.513   3.896
   92   1HZ   LYS 265          1HZ       LYS 265  15.378  -5.102   6.133
   93   2HZ   LYS 265          2HZ       LYS 265  13.828  -4.766   6.720
   94   3HZ   LYS 265          3HZ       LYS 265  14.479  -3.831   5.470
   95    H    ALA 266           H        ALA 266   7.959  -5.576   1.960
   96    HA   ALA 266           HA       ALA 266   5.706  -6.341   3.494
   97   1HB   ALA 266          1HB       ALA 266   5.900  -4.067   2.784
   98   2HB   ALA 266          2HB       ALA 266   4.482  -4.751   1.990
   99   3HB   ALA 266          3HB       ALA 266   5.984  -4.545   1.088
  100    H    ILE 267           H        ILE 267   6.838  -7.077   0.263
  101    HA   ILE 267           HA       ILE 267   4.506  -8.216  -0.782
  102    HB   ILE 267           HB       ILE 267   7.385  -8.813  -1.435
  103   1HG1  ILE 267          1HG1      ILE 267   5.315  -7.078  -2.804
  104   2HG1  ILE 267          2HG1      ILE 267   6.665  -6.491  -1.841
  105   1HG2  ILE 267          1HG2      ILE 267   6.768 -10.203  -3.119
  106   2HG2  ILE 267          2HG2      ILE 267   5.238  -9.370  -3.394
  107   3HG2  ILE 267          3HG2      ILE 267   5.399 -10.496  -2.046
  108   1HD1  ILE 267          1HD1      ILE 267   7.719  -6.308  -3.791
  109   2HD1  ILE 267          2HD1      ILE 267   6.579  -7.374  -4.614
  110   3HD1  ILE 267          3HD1      ILE 267   7.918  -8.058  -3.690
  111    H    GLU 268           H        GLU 268   7.258  -9.776   0.857
  112    HA   GLU 268           HA       GLU 268   6.202 -12.389   0.719
  113   1HB   GLU 268          1HB       GLU 268   8.239 -11.199   2.600
  114   2HB   GLU 268          2HB       GLU 268   7.887 -12.917   2.477
  115   1HG   GLU 268          1HG       GLU 268   8.589 -12.888   0.135
  116   2HG   GLU 268          2HG       GLU 268   8.960 -11.170   0.275
  117    H    LEU 269           H        LEU 269   6.149  -9.960   3.317
  118    HA   LEU 269           HA       LEU 269   4.868 -11.521   5.247
  119   1HB   LEU 269          1HB       LEU 269   4.677  -8.541   4.808
  120   2HB   LEU 269          2HB       LEU 269   4.185  -9.379   6.268
  121    HG   LEU 269           HG       LEU 269   7.001  -9.199   5.192
  122   1HD1  LEU 269          1HD1      LEU 269   6.118  -7.114   6.172
  123   2HD1  LEU 269          2HD1      LEU 269   7.442  -7.807   7.109
  124   3HD1  LEU 269          3HD1      LEU 269   5.778  -7.989   7.665
  125   1HD2  LEU 269          1HD2      LEU 269   5.932 -11.217   6.742
  126   2HD2  LEU 269          2HD2      LEU 269   6.657 -10.127   7.923
  127   3HD2  LEU 269          3HD2      LEU 269   7.638 -10.791   6.617
  128    H    SER 270           H        SER 270   3.513  -9.471   2.699
  129    HA   SER 270           HA       SER 270   0.808  -9.756   3.450
  130   1HB   SER 270          1HB       SER 270   1.605  -7.997   1.912
  131   2HB   SER 270          2HB       SER 270   1.964  -9.226   0.701
  132    HG   SER 270           HG       SER 270  -0.465  -9.722   1.256
  133    H    LEU 271           H        LEU 271   2.826 -11.536   1.136
  134    HA   LEU 271           HA       LEU 271   0.851 -13.252   0.144
  135   1HB   LEU 271          1HB       LEU 271   3.821 -13.663   0.466
  136   2HB   LEU 271          2HB       LEU 271   2.777 -14.772  -0.401
  137    HG   LEU 271           HG       LEU 271   3.170 -11.872  -1.147
  138   1HD1  LEU 271          1HD1      LEU 271   5.163 -13.512  -1.351
  139   2HD1  LEU 271          2HD1      LEU 271   4.729 -12.509  -2.736
  140   3HD1  LEU 271          3HD1      LEU 271   4.240 -14.203  -2.685
  141   1HD2  LEU 271          1HD2      LEU 271   2.164 -12.701  -3.308
  142   2HD2  LEU 271          2HD2      LEU 271   1.060 -12.611  -1.936
  143   3HD2  LEU 271          3HD2      LEU 271   1.715 -14.169  -2.440
  144    H    LYS 272           H        LYS 272   2.897 -13.489   3.001
  145    HA   LYS 272           HA       LYS 272   2.380 -16.141   3.700
  146   1HB   LYS 272          1HB       LYS 272   4.119 -14.778   4.767
  147   2HB   LYS 272          2HB       LYS 272   2.884 -13.777   5.517
  148   1HG   LYS 272          1HG       LYS 272   3.766 -15.341   7.124
  149   2HG   LYS 272          2HG       LYS 272   2.082 -15.733   6.772
  150   1HD   LYS 272          1HD       LYS 272   3.383 -17.769   6.857
  151   2HD   LYS 272          2HD       LYS 272   2.854 -17.479   5.199
  152   1HE   LYS 272          1HE       LYS 272   5.178 -18.211   5.257
  153   2HE   LYS 272          2HE       LYS 272   5.052 -16.559   4.655
  154   1HZ   LYS 272          1HZ       LYS 272   5.823 -15.705   6.698
  155   2HZ   LYS 272          2HZ       LYS 272   6.867 -16.977   6.311
  156   3HZ   LYS 272          3HZ       LYS 272   5.668 -17.195   7.484
  157    H    GLU 273           H        GLU 273   0.612 -13.180   4.508
  158    HA   GLU 273           HA       GLU 273  -1.270 -14.394   6.225
  159   1HB   GLU 273          1HB       GLU 273  -1.541 -11.876   4.576
  160   2HB   GLU 273          2HB       GLU 273  -2.577 -12.335   5.920
  161   1HG   GLU 273          1HG       GLU 273   0.376 -11.781   6.108
  162   2HG   GLU 273          2HG       GLU 273  -0.907 -10.655   6.545
  163    H    SER 274           H        SER 274  -1.420 -13.564   2.771
  164    HA   SER 274           HA       SER 274  -4.049 -14.386   2.300
  165   1HB   SER 274          1HB       SER 274  -3.388 -14.535  -0.074
  166   2HB   SER 274          2HB       SER 274  -2.778 -13.062   0.680
  167    HG   SER 274           HG       SER 274  -1.033 -13.837  -0.324
  168    H    ARG 275           H        ARG 275  -1.031 -16.205   2.276
  169    HA   ARG 275           HA       ARG 275  -0.576 -18.425   2.319
  170   1HB   ARG 275          1HB       ARG 275  -2.222 -18.391   4.192
  171   2HB   ARG 275          2HB       ARG 275  -3.491 -18.769   3.038
  172   1HG   ARG 275          1HG       ARG 275  -2.899 -20.791   4.114
  173   2HG   ARG 275          2HG       ARG 275  -2.239 -20.865   2.481
  174   1HD   ARG 275          1HD       ARG 275  -0.671 -20.074   4.934
  175   2HD   ARG 275          2HD       ARG 275  -0.681 -21.690   4.232
  176    HE   ARG 275           HE       ARG 275   0.036 -19.877   2.231
  177   1HH1  ARG 275          1HH1      ARG 275   1.284 -21.142   5.225
  178   2HH1  ARG 275          2HH1      ARG 275   2.942 -20.935   4.772
  179   1HH2  ARG 275          1HH2      ARG 275   2.217 -19.599   1.622
  180   2HH2  ARG 275          2HH2      ARG 275   3.474 -20.056   2.724
  181    H    ASN 276           H        ASN 276  -0.676 -17.641  -0.124
  182    HA   ASN 276           HA       ASN 276  -0.892 -18.323  -2.279
  183   1HB   ASN 276          1HB       ASN 276  -2.099 -20.815  -1.062
  184   2HB   ASN 276          2HB       ASN 276  -1.571 -20.645  -2.733
  185   1HD2  ASN 276          1HD2      ASN 276   0.318 -21.519  -3.117
  186   2HD2  ASN 276          2HD2      ASN 276   1.634 -21.646  -2.005
  187    H    SER 277           H        SER 277  -2.287 -17.869  -3.867
  188    HA   SER 277           HA       SER 277  -4.190 -17.267  -4.945
  189   1HB   SER 277          1HB       SER 277  -5.516 -19.111  -2.943
  190   2HB   SER 277          2HB       SER 277  -6.282 -18.464  -4.394
  191    HG   SER 277           HG       SER 277  -5.166 -20.672  -4.388
  192    H    ALA 278           H        ALA 278  -5.286 -15.417  -4.891
  193    HA   ALA 278           HA       ALA 278  -6.881 -14.525  -2.744
  194   1HB   ALA 278          1HB       ALA 278  -4.683 -14.195  -1.670
  195   2HB   ALA 278          2HB       ALA 278  -5.564 -12.683  -1.894
  196   3HB   ALA 278          3HB       ALA 278  -4.234 -13.097  -2.975
  197   1H    MET   1          1H        MET   1 -16.186   0.690   2.180
  198   2H    MET   1          2H        MET   1 -14.701   1.473   1.977
  199   3H    MET   1          3H        MET   1 -15.805   2.040   3.124
  200    HA   MET   1           HA       MET   1 -15.516   0.173   4.503
  201   1HB   MET   1          1HB       MET   1 -14.048  -1.696   3.792
  202   2HB   MET   1          2HB       MET   1 -15.463  -1.509   2.766
  203   1HG   MET   1          1HG       MET   1 -14.105  -0.366   1.094
  204   2HG   MET   1          2HG       MET   1 -12.686  -0.548   2.124
  205   1HE   MET   1          1HE       MET   1 -11.292  -1.937   0.051
  206   2HE   MET   1          2HE       MET   1 -12.711  -1.288  -0.772
  207   3HE   MET   1          3HE       MET   1 -12.263  -2.980  -0.990
  208    H    GLN   2           H        GLN   2 -14.034   0.311   6.100
  209    HA   GLN   2           HA       GLN   2 -11.949   2.265   5.830
  210   1HB   GLN   2          1HB       GLN   2 -12.684   0.483   8.158
  211   2HB   GLN   2          2HB       GLN   2 -11.543   1.819   8.225
  212   1HG   GLN   2          1HG       GLN   2 -13.332   3.381   7.669
  213   2HG   GLN   2          2HG       GLN   2 -14.477   2.043   7.594
  214   1HE2  GLN   2          1HE2      GLN   2 -15.700   1.921   9.320
  215   2HE2  GLN   2          2HE2      GLN   2 -15.229   2.292  10.939
  216    H    ILE   3           H        ILE   3  -9.752   1.974   5.959
  217    HA   ILE   3           HA       ILE   3  -8.656  -0.719   6.170
  218    HB   ILE   3           HB       ILE   3  -7.288  -0.501   4.155
  219   1HG1  ILE   3          1HG1      ILE   3  -8.935   1.958   3.525
  220   2HG1  ILE   3          2HG1      ILE   3  -7.279   2.001   4.120
  221   1HG2  ILE   3          1HG2      ILE   3  -9.875  -1.264   4.257
  222   2HG2  ILE   3          2HG2      ILE   3  -8.857  -1.410   2.823
  223   3HG2  ILE   3          3HG2      ILE   3  -9.949  -0.036   2.993
  224   1HD1  ILE   3          1HD1      ILE   3  -6.416   1.491   2.117
  225   2HD1  ILE   3          2HD1      ILE   3  -7.967   2.080   1.518
  226   3HD1  ILE   3          3HD1      ILE   3  -7.703   0.349   1.732
  227    H    PHE   4           H        PHE   4  -6.576  -0.747   6.998
  228    HA   PHE   4           HA       PHE   4  -5.598   1.860   7.906
  229   1HB   PHE   4          1HB       PHE   4  -5.176  -0.943   8.871
  230   2HB   PHE   4          2HB       PHE   4  -4.026   0.318   9.298
  231    HD1  PHE   4           HD1      PHE   4  -4.469   1.825  11.017
  232    HD2  PHE   4           HD2      PHE   4  -7.598  -0.640   9.515
  233    HE1  PHE   4           HE1      PHE   4  -5.900   2.517  12.889
  234    HE2  PHE   4           HE2      PHE   4  -9.041   0.050  11.386
  235    HZ   PHE   4           HZ       PHE   4  -8.192   1.628  13.077
  236    H    VAL   5           H        VAL   5  -3.879   2.796   7.086
  237    HA   VAL   5           HA       VAL   5  -2.234   1.356   5.157
  238    HB   VAL   5           HB       VAL   5  -2.185   4.277   5.952
  239   1HG1  VAL   5          1HG1      VAL   5  -1.095   3.604   3.354
  240   2HG1  VAL   5          2HG1      VAL   5  -0.227   2.800   4.663
  241   3HG1  VAL   5          3HG1      VAL   5  -0.391   4.556   4.661
  242   1HG2  VAL   5          1HG2      VAL   5  -3.401   2.927   3.544
  243   2HG2  VAL   5          2HG2      VAL   5  -3.298   4.668   3.800
  244   3HG2  VAL   5          3HG2      VAL   5  -4.282   3.676   4.876
  245    H    LYS   6           H        LYS   6  -0.237   0.609   5.637
  246    HA   LYS   6           HA       LYS   6   1.065   1.641   8.061
  247   1HB   LYS   6          1HB       LYS   6   0.032  -0.489   8.625
  248   2HB   LYS   6          2HB       LYS   6   0.825  -1.261   7.258
  249   1HG   LYS   6          1HG       LYS   6   3.008  -0.812   8.287
  250   2HG   LYS   6          2HG       LYS   6   2.190  -0.081   9.669
  251   1HD   LYS   6          1HD       LYS   6   1.090  -2.202  10.155
  252   2HD   LYS   6          2HD       LYS   6   1.862  -2.937   8.748
  253   1HE   LYS   6          1HE       LYS   6   3.283  -1.804  11.156
  254   2HE   LYS   6          2HE       LYS   6   3.026  -3.516  10.823
  255   1HZ   LYS   6          1HZ       LYS   6   4.295  -3.151   8.717
  256   2HZ   LYS   6          2HZ       LYS   6   5.208  -2.986  10.131
  257   3HZ   LYS   6          3HZ       LYS   6   4.700  -1.610   9.288
  258    H    THR   7           H        THR   7   3.146   2.099   7.896
  259    HA   THR   7           HA       THR   7   4.433   1.868   5.325
  260    HB   THR   7           HB       THR   7   6.293   3.099   6.368
  261    HG1  THR   7           HG1      THR   7   6.027   2.179   8.499
  262   1HG2  THR   7          1HG2      THR   7   4.191   4.764   7.433
  263   2HG2  THR   7          2HG2      THR   7   3.698   4.030   5.907
  264   3HG2  THR   7          3HG2      THR   7   5.176   4.990   5.987
  265    H    LEU   8           H        LEU   8   7.133   1.641   6.501
  266    HA   LEU   8           HA       LEU   8   7.135  -1.183   7.301
  267   1HB   LEU   8          1HB       LEU   8   8.887   0.081   5.197
  268   2HB   LEU   8          2HB       LEU   8   9.113  -1.535   5.839
  269    HG   LEU   8           HG       LEU   8   6.720  -0.566   4.272
  270   1HD1  LEU   8          1HD1      LEU   8   7.503  -2.121   2.567
  271   2HD1  LEU   8          2HD1      LEU   8   8.912  -2.504   3.556
  272   3HD1  LEU   8          3HD1      LEU   8   8.707  -0.878   2.904
  273   1HD2  LEU   8          1HD2      LEU   8   5.702  -2.171   5.504
  274   2HD2  LEU   8          2HD2      LEU   8   7.215  -2.994   5.885
  275   3HD2  LEU   8          3HD2      LEU   8   6.457  -3.228   4.310
  276    H    THR   9           H        THR   9   7.289   0.763   9.132
  277    HA   THR   9           HA       THR   9   9.952   0.380  10.199
  278    HB   THR   9           HB       THR   9  10.309   2.447   9.000
  279    HG1  THR   9           HG1      THR   9  11.394   2.987  10.726
  280   1HG2  THR   9          1HG2      THR   9   8.984   4.424   9.320
  281   2HG2  THR   9          2HG2      THR   9   8.009   3.627  10.555
  282   3HG2  THR   9          3HG2      THR   9   7.902   3.103   8.874
  283    H    GLY  10           H        GLY  10   6.749   1.874  10.623
  284   1HA   GLY  10          1HA       GLY  10   5.893   0.592  12.822
  285   2HA   GLY  10          2HA       GLY  10   6.999   1.767  13.513
  286    H    LYS  11           H        LYS  11   4.371   1.758  11.066
  287    HA   LYS  11           HA       LYS  11   2.917   3.713  12.609
  288   1HB   LYS  11          1HB       LYS  11   4.595   5.073  11.375
  289   2HB   LYS  11          2HB       LYS  11   3.915   4.482   9.866
  290   1HG   LYS  11          1HG       LYS  11   1.777   5.516  10.404
  291   2HG   LYS  11          2HG       LYS  11   2.433   6.087  11.940
  292   1HD   LYS  11          1HD       LYS  11   2.476   7.891  10.341
  293   2HD   LYS  11          2HD       LYS  11   4.130   7.382  10.686
  294   1HE   LYS  11          1HE       LYS  11   4.129   6.043   8.624
  295   2HE   LYS  11          2HE       LYS  11   2.492   6.599   8.276
  296   1HZ   LYS  11          1HZ       LYS  11   5.024   8.000   8.007
  297   2HZ   LYS  11          2HZ       LYS  11   3.738   8.922   8.603
  298   3HZ   LYS  11          3HZ       LYS  11   3.599   8.150   7.105
  299    H    THR  12           H        THR  12   0.801   3.629  12.257
  300    HA   THR  12           HA       THR  12  -0.300   2.576   9.780
  301    HB   THR  12           HB       THR  12  -0.937   1.280  12.442
  302    HG1  THR  12           HG1      THR  12   0.943   0.735  10.540
  303   1HG2  THR  12          1HG2      THR  12  -1.791   0.076   9.882
  304   2HG2  THR  12          2HG2      THR  12  -2.637   1.543  10.372
  305   3HG2  THR  12          3HG2      THR  12  -2.619   0.137  11.438
  306    H    ILE  13           H        ILE  13  -2.311   3.439   9.336
  307    HA   ILE  13           HA       ILE  13  -3.802   4.749  11.471
  308    HB   ILE  13           HB       ILE  13  -2.578   6.223   9.159
  309   1HG1  ILE  13          1HG1      ILE  13  -2.671   6.698  12.143
  310   2HG1  ILE  13          2HG1      ILE  13  -1.283   6.145  11.215
  311   1HG2  ILE  13          1HG2      ILE  13  -4.876   7.172  10.868
  312   2HG2  ILE  13          2HG2      ILE  13  -4.958   6.759   9.154
  313   3HG2  ILE  13          3HG2      ILE  13  -3.997   8.140   9.682
  314   1HD1  ILE  13          1HD1      ILE  13  -0.780   8.211  10.489
  315   2HD1  ILE  13          2HD1      ILE  13  -1.659   8.682  11.944
  316   3HD1  ILE  13          3HD1      ILE  13  -2.469   8.704  10.377
  317    H    THR  14           H        THR  14  -5.943   5.029  11.099
  318    HA   THR  14           HA       THR  14  -7.265   3.338   9.305
  319    HB   THR  14           HB       THR  14  -8.411   5.810  10.620
  320    HG1  THR  14           HG1      THR  14  -7.605   4.576  12.264
  321   1HG2  THR  14          1HG2      THR  14 -10.538   4.727  10.427
  322   2HG2  THR  14          2HG2      THR  14  -9.791   3.248   9.824
  323   3HG2  THR  14          3HG2      THR  14  -9.781   4.708   8.834
  324    H    LEU  15           H        LEU  15  -8.436   3.734   7.416
  325    HA   LEU  15           HA       LEU  15  -8.420   6.357   6.210
  326   1HB   LEU  15          1HB       LEU  15  -6.211   5.569   5.584
  327   2HB   LEU  15          2HB       LEU  15  -6.889   4.072   4.972
  328    HG   LEU  15           HG       LEU  15  -8.096   5.371   3.232
  329   1HD1  LEU  15          1HD1      LEU  15  -7.312   7.698   2.815
  330   2HD1  LEU  15          2HD1      LEU  15  -6.531   7.666   4.396
  331   3HD1  LEU  15          3HD1      LEU  15  -8.284   7.514   4.275
  332   1HD2  LEU  15          1HD2      LEU  15  -5.157   5.973   3.130
  333   2HD2  LEU  15          2HD2      LEU  15  -6.247   5.573   1.802
  334   3HD2  LEU  15          3HD2      LEU  15  -5.788   4.334   2.970
  335    H    GLU  16           H        GLU  16 -10.453   6.527   5.577
  336    HA   GLU  16           HA       GLU  16 -12.042   4.232   4.860
  337   1HB   GLU  16          1HB       GLU  16 -12.995   6.114   6.133
  338   2HB   GLU  16          2HB       GLU  16 -12.693   7.187   4.773
  339   1HG   GLU  16          1HG       GLU  16 -15.000   6.593   4.775
  340   2HG   GLU  16          2HG       GLU  16 -14.224   5.799   3.406
  341    H    VAL  17           H        VAL  17 -12.467   3.489   2.849
  342    HA   VAL  17           HA       VAL  17 -12.133   5.247   0.549
  343    HB   VAL  17           HB       VAL  17 -10.716   3.633  -0.671
  344   1HG1  VAL  17          1HG1      VAL  17  -8.848   4.025   1.442
  345   2HG1  VAL  17          2HG1      VAL  17  -9.917   5.425   1.360
  346   3HG1  VAL  17          3HG1      VAL  17  -9.016   4.919  -0.069
  347   1HG2  VAL  17          1HG2      VAL  17  -9.479   1.925   0.654
  348   2HG2  VAL  17          2HG2      VAL  17 -11.204   1.599   0.490
  349   3HG2  VAL  17          3HG2      VAL  17 -10.569   2.250   2.001
  350    H    GLU  18           H        GLU  18 -13.628   4.870  -0.950
  351    HA   GLU  18           HA       GLU  18 -15.526   2.744  -0.580
  352   1HB   GLU  18          1HB       GLU  18 -15.284   4.800  -2.785
  353   2HB   GLU  18          2HB       GLU  18 -16.652   3.722  -2.550
  354   1HG   GLU  18          1HG       GLU  18 -17.102   4.757  -0.387
  355   2HG   GLU  18          2HG       GLU  18 -15.727   5.836  -0.619
  356    H    SER  19           H        SER  19 -15.813   0.925  -1.805
  357    HA   SER  19           HA       SER  19 -13.626  -0.281  -3.018
  358   1HB   SER  19          1HB       SER  19 -15.234  -1.942  -3.894
  359   2HB   SER  19          2HB       SER  19 -15.544  -1.562  -2.200
  360    HG   SER  19           HG       SER  19 -17.501  -1.444  -3.148
  361    H    SER  20           H        SER  20 -16.288   1.535  -4.466
  362    HA   SER  20           HA       SER  20 -15.609   1.069  -7.159
  363   1HB   SER  20          1HB       SER  20 -17.068   3.414  -5.920
  364   2HB   SER  20          2HB       SER  20 -17.028   3.038  -7.643
  365    HG   SER  20           HG       SER  20 -18.104   1.415  -5.575
  366    H    ASP  21           H        ASP  21 -14.653   3.601  -4.882
  367    HA   ASP  21           HA       ASP  21 -13.333   5.306  -6.638
  368   1HB   ASP  21          1HB       ASP  21 -12.683   4.680  -3.752
  369   2HB   ASP  21          2HB       ASP  21 -12.033   6.046  -4.652
  370    H    THR  22           H        THR  22 -11.432   5.287  -7.663
  371    HA   THR  22           HA       THR  22  -9.925   2.856  -7.790
  372    HB   THR  22           HB       THR  22  -8.475   4.078  -9.381
  373    HG1  THR  22           HG1      THR  22  -8.437   6.176  -9.080
  374   1HG2  THR  22          1HG2      THR  22 -10.366   2.993 -10.331
  375   2HG2  THR  22          2HG2      THR  22 -10.293   4.599 -11.057
  376   3HG2  THR  22          3HG2      THR  22 -11.457   4.263  -9.776
  377    H    ILE  23           H        ILE  23  -7.540   2.823  -7.590
  378    HA   ILE  23           HA       ILE  23  -6.671   3.360  -5.031
  379    HB   ILE  23           HB       ILE  23  -5.047   3.044  -7.557
  380   1HG1  ILE  23          1HG1      ILE  23  -6.447   1.117  -6.899
  381   2HG1  ILE  23          2HG1      ILE  23  -4.730   0.756  -6.771
  382   1HG2  ILE  23          1HG2      ILE  23  -3.791   4.251  -5.782
  383   2HG2  ILE  23          2HG2      ILE  23  -3.101   2.683  -6.201
  384   3HG2  ILE  23          3HG2      ILE  23  -4.041   2.866  -4.720
  385   1HD1  ILE  23          1HD1      ILE  23  -5.311  -0.080  -4.780
  386   2HD1  ILE  23          2HD1      ILE  23  -6.799   0.864  -4.702
  387   3HD1  ILE  23          3HD1      ILE  23  -5.261   1.605  -4.258
  388    H    ASP  24           H        ASP  24  -6.456   5.402  -7.896
  389    HA   ASP  24           HA       ASP  24  -4.681   7.341  -7.045
  390   1HB   ASP  24          1HB       ASP  24  -5.684   7.248  -9.308
  391   2HB   ASP  24          2HB       ASP  24  -7.218   7.789  -8.637
  392    H    ASN  25           H        ASN  25  -8.158   7.097  -6.417
  393    HA   ASN  25           HA       ASN  25  -8.524   9.489  -5.034
  394   1HB   ASN  25          1HB       ASN  25 -10.355   7.990  -5.784
  395   2HB   ASN  25          2HB       ASN  25  -9.900   6.838  -4.534
  396   1HD2  ASN  25          1HD2      ASN  25 -12.041   9.154  -5.280
  397   2HD2  ASN  25          2HD2      ASN  25 -12.487   9.683  -3.698
  398    H    VAL  26           H        VAL  26  -7.572   6.286  -3.863
  399    HA   VAL  26           HA       VAL  26  -7.482   6.821  -1.128
  400    HB   VAL  26           HB       VAL  26  -5.656   4.981  -2.685
  401   1HG1  VAL  26          1HG1      VAL  26  -6.439   4.975   0.228
  402   2HG1  VAL  26          2HG1      VAL  26  -4.856   5.396  -0.424
  403   3HG1  VAL  26          3HG1      VAL  26  -5.462   3.747  -0.577
  404   1HG2  VAL  26          1HG2      VAL  26  -7.993   3.914  -1.239
  405   2HG2  VAL  26          2HG2      VAL  26  -7.291   3.428  -2.782
  406   3HG2  VAL  26          3HG2      VAL  26  -8.342   4.842  -2.697
  407    H    LYS  27           H        LYS  27  -4.995   7.222  -3.624
  408    HA   LYS  27           HA       LYS  27  -2.907   8.043  -1.945
  409   1HB   LYS  27          1HB       LYS  27  -3.481   8.705  -4.836
  410   2HB   LYS  27          2HB       LYS  27  -1.989   9.141  -4.015
  411   1HG   LYS  27          1HG       LYS  27  -3.003   6.327  -4.353
  412   2HG   LYS  27          2HG       LYS  27  -1.790   7.099  -5.378
  413   1HD   LYS  27          1HD       LYS  27  -0.342   7.405  -3.423
  414   2HD   LYS  27          2HD       LYS  27  -1.555   6.625  -2.404
  415   1HE   LYS  27          1HE       LYS  27  -0.117   5.351  -4.731
  416   2HE   LYS  27          2HE       LYS  27   0.242   5.080  -3.027
  417   1HZ   LYS  27          1HZ       LYS  27  -2.349   4.507  -3.072
  418   2HZ   LYS  27          2HZ       LYS  27  -1.144   3.350  -3.332
  419   3HZ   LYS  27          3HZ       LYS  27  -1.937   4.054  -4.649
  420    H    SER  28           H        SER  28  -5.488   9.870  -3.522
  421    HA   SER  28           HA       SER  28  -4.581  12.448  -2.918
  422   1HB   SER  28          1HB       SER  28  -6.418  12.040  -4.488
  423   2HB   SER  28          2HB       SER  28  -7.431  11.453  -3.169
  424    HG   SER  28           HG       SER  28  -7.907  13.615  -3.597
  425    H    LYS  29           H        LYS  29  -6.759  10.303  -1.097
  426    HA   LYS  29           HA       LYS  29  -7.210  12.079   1.045
  427   1HB   LYS  29          1HB       LYS  29  -7.336   9.061   0.965
  428   2HB   LYS  29          2HB       LYS  29  -7.920  10.045   2.299
  429   1HG   LYS  29          1HG       LYS  29  -9.506  11.137   0.752
  430   2HG   LYS  29          2HG       LYS  29  -8.961  10.048  -0.526
  431   1HD   LYS  29          1HD       LYS  29  -9.694   8.128   0.787
  432   2HD   LYS  29          2HD       LYS  29 -10.205   9.200   2.091
  433   1HE   LYS  29          1HE       LYS  29 -11.815  10.258   0.558
  434   2HE   LYS  29          2HE       LYS  29 -11.324   9.135  -0.708
  435   1HZ   LYS  29          1HZ       LYS  29 -12.140   7.307   0.584
  436   2HZ   LYS  29          2HZ       LYS  29 -13.370   8.462   0.459
  437   3HZ   LYS  29          3HZ       LYS  29 -12.491   8.317   1.897
  438    H    ILE  30           H        ILE  30  -4.852   9.445   0.654
  439    HA   ILE  30           HA       ILE  30  -3.707   9.619   3.208
  440    HB   ILE  30           HB       ILE  30  -2.395   8.749   0.622
  441   1HG1  ILE  30          1HG1      ILE  30  -3.753   7.138   2.797
  442   2HG1  ILE  30          2HG1      ILE  30  -4.429   7.474   1.207
  443   1HG2  ILE  30          1HG2      ILE  30  -1.512   7.688   3.238
  444   2HG2  ILE  30          2HG2      ILE  30  -1.056   9.349   2.861
  445   3HG2  ILE  30          3HG2      ILE  30  -0.581   8.038   1.782
  446   1HD1  ILE  30          1HD1      ILE  30  -2.573   6.236   0.182
  447   2HD1  ILE  30          2HD1      ILE  30  -3.526   5.240   1.282
  448   3HD1  ILE  30          3HD1      ILE  30  -1.957   5.863   1.792
  449    H    GLN  31           H        GLN  31  -2.850  11.231   0.172
  450    HA   GLN  31           HA       GLN  31  -0.545  12.538   1.095
  451   1HB   GLN  31          1HB       GLN  31  -1.117  12.326  -1.287
  452   2HB   GLN  31          2HB       GLN  31  -2.491  13.397  -1.057
  453   1HG   GLN  31          1HG       GLN  31   0.331  14.252  -0.502
  454   2HG   GLN  31          2HG       GLN  31  -0.413  14.400  -2.092
  455   1HE2  GLN  31          1HE2      GLN  31   0.334  16.086   0.557
  456   2HE2  GLN  31          2HE2      GLN  31  -0.909  17.286   0.531
  457    H    ASP  32           H        ASP  32  -3.943  13.501   1.085
  458    HA   ASP  32           HA       ASP  32  -3.573  16.127   2.022
  459   1HB   ASP  32          1HB       ASP  32  -5.664  15.380   1.000
  460   2HB   ASP  32          2HB       ASP  32  -5.950  14.288   2.351
  461    H    LYS  33           H        LYS  33  -4.276  13.114   3.791
  462    HA   LYS  33           HA       LYS  33  -4.313  14.395   6.340
  463   1HB   LYS  33          1HB       LYS  33  -5.513  12.270   5.812
  464   2HB   LYS  33          2HB       LYS  33  -3.957  11.456   5.740
  465   1HG   LYS  33          1HG       LYS  33  -3.546  12.053   8.082
  466   2HG   LYS  33          2HG       LYS  33  -5.133  12.820   8.151
  467   1HD   LYS  33          1HD       LYS  33  -6.175  10.655   7.598
  468   2HD   LYS  33          2HD       LYS  33  -4.577   9.905   7.600
  469   1HE   LYS  33          1HE       LYS  33  -5.918  11.252   9.942
  470   2HE   LYS  33          2HE       LYS  33  -5.724   9.515   9.714
  471   1HZ   LYS  33          1HZ       LYS  33  -4.030  10.261  11.183
  472   2HZ   LYS  33          2HZ       LYS  33  -3.576  11.515  10.143
  473   3HZ   LYS  33          3HZ       LYS  33  -3.284   9.908   9.705
  474    H    GLU  34           H        GLU  34  -2.062  11.910   5.118
  475    HA   GLU  34           HA       GLU  34  -0.140  12.347   7.130
  476   1HB   GLU  34          1HB       GLU  34   0.353  11.144   4.406
  477   2HB   GLU  34          2HB       GLU  34   1.292  10.883   5.868
  478   1HG   GLU  34          1HG       GLU  34  -1.556  10.019   5.424
  479   2HG   GLU  34          2HG       GLU  34  -0.134   8.979   5.381
  480    H    GLY  35           H        GLY  35  -0.496  13.683   3.890
  481   1HA   GLY  35          1HA       GLY  35   0.420  15.665   3.075
  482   2HA   GLY  35          2HA       GLY  35   1.360  15.807   4.556
  483    H    ILE  36           H        ILE  36   1.211  13.069   2.344
  484    HA   ILE  36           HA       ILE  36   4.039  13.524   1.645
  485    HB   ILE  36           HB       ILE  36   2.783  10.806   2.029
  486   1HG1  ILE  36          1HG1      ILE  36   2.799  11.911   4.191
  487   2HG1  ILE  36          2HG1      ILE  36   4.057  10.682   4.152
  488   1HG2  ILE  36          1HG2      ILE  36   4.617  10.541   0.637
  489   2HG2  ILE  36          2HG2      ILE  36   5.285  10.225   2.238
  490   3HG2  ILE  36          3HG2      ILE  36   5.552  11.787   1.465
  491   1HD1  ILE  36          1HD1      ILE  36   5.245  13.084   3.301
  492   2HD1  ILE  36          2HD1      ILE  36   5.510  12.207   4.808
  493   3HD1  ILE  36          3HD1      ILE  36   4.272  13.460   4.722
  494    HA   PRO  37           HA       PRO  37   2.646  13.502  -2.583
  495   1HB   PRO  37          1HB       PRO  37   5.250  12.127  -3.057
  496   2HB   PRO  37          2HB       PRO  37   4.564  13.547  -3.856
  497   1HG   PRO  37          1HG       PRO  37   6.514  13.812  -2.066
  498   2HG   PRO  37          2HG       PRO  37   5.180  14.978  -2.138
  499   1HD   PRO  37          1HD       PRO  37   5.678  12.781  -0.180
  500   2HD   PRO  37          2HD       PRO  37   4.962  14.385   0.078
  501    HA   PRO  38           HA       PRO  38   0.892   9.436  -2.997
  502   1HB   PRO  38          1HB       PRO  38   0.320   9.574  -5.693
  503   2HB   PRO  38          2HB       PRO  38  -0.700  10.240  -4.414
  504   1HG   PRO  38          1HG       PRO  38   1.300  11.620  -6.157
  505   2HG   PRO  38          2HG       PRO  38  -0.301  12.174  -5.630
  506   1HD   PRO  38          1HD       PRO  38   1.942  13.088  -4.482
  507   2HD   PRO  38          2HD       PRO  38   0.470  12.796  -3.531
  508    H    ASP  39           H        ASP  39   3.059  10.503  -5.622
  509    HA   ASP  39           HA       ASP  39   3.772   7.938  -6.508
  510   1HB   ASP  39          1HB       ASP  39   5.687   9.047  -7.594
  511   2HB   ASP  39          2HB       ASP  39   4.190   9.940  -7.848
  512    H    GLN  40           H        GLN  40   5.197  10.053  -4.071
  513    HA   GLN  40           HA       GLN  40   7.539   8.679  -3.516
  514   1HB   GLN  40          1HB       GLN  40   6.990  10.869  -2.564
  515   2HB   GLN  40          2HB       GLN  40   5.720  10.142  -1.592
  516   1HG   GLN  40          1HG       GLN  40   7.659  10.560  -0.235
  517   2HG   GLN  40          2HG       GLN  40   7.408   8.823  -0.398
  518   1HE2  GLN  40          1HE2      GLN  40   9.203   7.737  -0.673
  519   2HE2  GLN  40          2HE2      GLN  40  10.621   8.288  -1.492
  520    H    GLN  41           H        GLN  41   4.315   8.211  -2.107
  521    HA   GLN  41           HA       GLN  41   5.159   5.962  -0.522
  522   1HB   GLN  41          1HB       GLN  41   2.348   6.874  -1.146
  523   2HB   GLN  41          2HB       GLN  41   2.850   5.828   0.175
  524   1HG   GLN  41          1HG       GLN  41   4.060   7.657   1.201
  525   2HG   GLN  41          2HG       GLN  41   3.646   8.713  -0.149
  526   1HE2  GLN  41          1HE2      GLN  41   2.021  10.024   0.215
  527   2HE2  GLN  41          2HE2      GLN  41   0.707   9.751   1.303
  528    H    ARG  42           H        ARG  42   4.925   3.818  -0.958
  529    HA   ARG  42           HA       ARG  42   3.675   3.108  -3.531
  530   1HB   ARG  42          1HB       ARG  42   6.107   1.844  -2.254
  531   2HB   ARG  42          2HB       ARG  42   5.333   1.287  -3.731
  532   1HG   ARG  42          1HG       ARG  42   5.838   3.489  -4.761
  533   2HG   ARG  42          2HG       ARG  42   6.735   3.915  -3.302
  534   1HD   ARG  42          1HD       ARG  42   8.251   3.111  -5.018
  535   2HD   ARG  42          2HD       ARG  42   8.211   1.987  -3.660
  536    HE   ARG  42           HE       ARG  42   7.539   0.395  -5.134
  537   1HH1  ARG  42          1HH1      ARG  42   6.534   3.493  -6.378
  538   2HH1  ARG  42          2HH1      ARG  42   5.821   2.828  -7.809
  539   1HH2  ARG  42          1HH2      ARG  42   6.602  -0.483  -7.015
  540   2HH2  ARG  42          2HH2      ARG  42   5.860   0.571  -8.171
  541    H    LEU  43           H        LEU  43   1.738   2.338  -2.872
  542    HA   LEU  43           HA       LEU  43   1.459   0.687  -0.536
  543   1HB   LEU  43          1HB       LEU  43  -0.430   1.647  -2.657
  544   2HB   LEU  43          2HB       LEU  43  -0.925   0.418  -1.512
  545    HG   LEU  43           HG       LEU  43  -1.688   2.616  -0.803
  546   1HD1  LEU  43          1HD1      LEU  43  -0.704   2.642   1.464
  547   2HD1  LEU  43          2HD1      LEU  43   0.508   1.482   0.918
  548   3HD1  LEU  43          3HD1      LEU  43  -1.198   1.033   0.937
  549   1HD2  LEU  43          1HD2      LEU  43   0.685   3.549  -1.821
  550   2HD2  LEU  43          2HD2      LEU  43   0.927   3.678  -0.079
  551   3HD2  LEU  43          3HD2      LEU  43  -0.451   4.474  -0.839
  552    H    ILE  44           H        ILE  44   1.107  -1.472  -0.399
  553    HA   ILE  44           HA       ILE  44   1.096  -3.061  -2.864
  554    HB   ILE  44           HB       ILE  44   2.894  -3.613  -0.495
  555   1HG1  ILE  44          1HG1      ILE  44   3.585  -2.850  -3.341
  556   2HG1  ILE  44          2HG1      ILE  44   3.698  -1.781  -1.946
  557   1HG2  ILE  44          1HG2      ILE  44   2.658  -5.738  -1.161
  558   2HG2  ILE  44          2HG2      ILE  44   3.693  -5.273  -2.511
  559   3HG2  ILE  44          3HG2      ILE  44   1.940  -5.276  -2.704
  560   1HD1  ILE  44          1HD1      ILE  44   5.226  -3.774  -1.062
  561   2HD1  ILE  44          2HD1      ILE  44   5.852  -2.445  -2.038
  562   3HD1  ILE  44          3HD1      ILE  44   5.463  -3.989  -2.797
  563    H    PHE  45           H        PHE  45  -0.117  -4.915  -2.761
  564    HA   PHE  45           HA       PHE  45  -1.151  -5.803  -0.184
  565   1HB   PHE  45          1HB       PHE  45  -2.760  -4.092  -1.016
  566   2HB   PHE  45          2HB       PHE  45  -3.004  -5.068  -2.461
  567    HD1  PHE  45           HD1      PHE  45  -5.140  -5.922  -2.395
  568    HD2  PHE  45           HD2      PHE  45  -2.784  -5.989   1.149
  569    HE1  PHE  45           HE1      PHE  45  -6.913  -7.180  -1.243
  570    HE2  PHE  45           HE2      PHE  45  -4.552  -7.249   2.306
  571    HZ   PHE  45           HZ       PHE  45  -6.620  -7.845   1.110
  572    H    ALA  46           H        ALA  46  -1.815  -7.930  -0.148
  573    HA   ALA  46           HA       ALA  46  -1.874 -10.126  -0.727
  574   1HB   ALA  46          1HB       ALA  46  -2.372  -8.958  -3.459
  575   2HB   ALA  46          2HB       ALA  46  -3.564  -9.584  -2.320
  576   3HB   ALA  46          3HB       ALA  46  -2.432 -10.684  -3.106
  577    H    GLY  47           H        GLY  47  -0.325  -8.784  -3.628
  578   1HA   GLY  47          1HA       GLY  47   2.314  -9.474  -2.870
  579   2HA   GLY  47          2HA       GLY  47   1.631 -10.729  -3.896
  580    H    LYS  48           H        LYS  48   0.933  -7.280  -4.099
  581    HA   LYS  48           HA       LYS  48   2.747  -6.736  -6.216
  582   1HB   LYS  48          1HB       LYS  48   1.035  -6.471  -8.019
  583   2HB   LYS  48          2HB       LYS  48   1.343  -8.139  -7.555
  584   1HG   LYS  48          1HG       LYS  48  -0.689  -8.187  -6.247
  585   2HG   LYS  48          2HG       LYS  48  -0.982  -6.482  -6.597
  586   1HD   LYS  48          1HD       LYS  48  -1.215  -6.984  -8.961
  587   2HD   LYS  48          2HD       LYS  48  -0.835  -8.680  -8.659
  588   1HE   LYS  48          1HE       LYS  48  -2.839  -8.915  -7.311
  589   2HE   LYS  48          2HE       LYS  48  -3.205  -7.203  -7.520
  590   1HZ   LYS  48          1HZ       LYS  48  -2.836  -8.525 -10.020
  591   2HZ   LYS  48          2HZ       LYS  48  -4.146  -7.604  -9.476
  592   3HZ   LYS  48          3HZ       LYS  48  -4.064  -9.254  -9.112
  593    H    GLN  49           H        GLN  49   2.597  -4.600  -7.027
  594    HA   GLN  49           HA       GLN  49   1.861  -2.664  -5.148
  595   1HB   GLN  49          1HB       GLN  49   2.310  -2.313  -8.120
  596   2HB   GLN  49          2HB       GLN  49   2.336  -1.030  -6.919
  597   1HG   GLN  49          1HG       GLN  49   4.224  -3.368  -6.910
  598   2HG   GLN  49          2HG       GLN  49   4.574  -1.821  -7.676
  599   1HE2  GLN  49          1HE2      GLN  49   2.774  -0.941  -5.151
  600   2HE2  GLN  49          2HE2      GLN  49   3.994  -0.717  -3.951
  601    H    LEU  50           H        LEU  50   0.140  -1.244  -5.006
  602    HA   LEU  50           HA       LEU  50  -2.354  -2.201  -6.047
  603   1HB   LEU  50          1HB       LEU  50  -1.579   0.106  -4.290
  604   2HB   LEU  50          2HB       LEU  50  -3.223  -0.093  -4.866
  605    HG   LEU  50           HG       LEU  50  -1.720  -2.122  -3.207
  606   1HD1  LEU  50          1HD1      LEU  50  -2.873   0.284  -2.397
  607   2HD1  LEU  50          2HD1      LEU  50  -2.418  -1.078  -1.373
  608   3HD1  LEU  50          3HD1      LEU  50  -4.062  -0.956  -1.999
  609   1HD2  LEU  50          1HD2      LEU  50  -4.185  -2.918  -2.941
  610   2HD2  LEU  50          2HD2      LEU  50  -3.271  -3.370  -4.380
  611   3HD2  LEU  50          3HD2      LEU  50  -4.435  -2.046  -4.454
  612    H    GLU  51           H        GLU  51  -0.630  -1.401  -8.148
  613    HA   GLU  51           HA       GLU  51  -0.451   0.020  -9.951
  614   1HB   GLU  51          1HB       GLU  51  -3.425  -0.282  -9.637
  615   2HB   GLU  51          2HB       GLU  51  -2.605   0.208 -11.115
  616   1HG   GLU  51          1HG       GLU  51  -2.299  -2.431  -9.709
  617   2HG   GLU  51          2HG       GLU  51  -3.201  -2.130 -11.187
  618    H    ASP  52           H        ASP  52  -2.719   1.850 -10.640
  619    HA   ASP  52           HA       ASP  52  -2.841   3.905  -8.696
  620   1HB   ASP  52          1HB       ASP  52  -1.520   5.599  -9.951
  621   2HB   ASP  52          2HB       ASP  52  -0.530   4.296  -9.305
  622    H    GLY  53           H        GLY  53  -4.657   2.462 -10.324
  623   1HA   GLY  53          1HA       GLY  53  -6.407   4.439 -11.149
  624   2HA   GLY  53          2HA       GLY  53  -5.491   3.985 -12.579
  625    H    ARG  54           H        ARG  54  -6.637   1.984  -9.881
  626    HA   ARG  54           HA       ARG  54  -8.447   0.593 -11.723
  627   1HB   ARG  54          1HB       ARG  54  -6.463  -0.756  -9.881
  628   2HB   ARG  54          2HB       ARG  54  -7.690  -1.579 -10.830
  629   1HG   ARG  54          1HG       ARG  54  -5.426   0.048 -11.967
  630   2HG   ARG  54          2HG       ARG  54  -5.457  -1.711 -11.841
  631   1HD   ARG  54          1HD       ARG  54  -7.454  -1.756 -13.280
  632   2HD   ARG  54          2HD       ARG  54  -7.367  -0.002 -13.434
  633    HE   ARG  54           HE       ARG  54  -5.918  -1.879 -14.945
  634   1HH1  ARG  54          1HH1      ARG  54  -5.477   1.170 -13.312
  635   2HH1  ARG  54          2HH1      ARG  54  -4.197   1.689 -14.357
  636   1HH2  ARG  54          1HH2      ARG  54  -4.233  -1.202 -16.321
  637   2HH2  ARG  54          2HH2      ARG  54  -3.490   0.341 -16.065
  638    H    THR  55           H        THR  55 -10.367   0.034 -10.844
  639    HA   THR  55           HA       THR  55 -11.137   1.098  -8.347
  640    HB   THR  55           HB       THR  55 -13.266  -0.110  -8.684
  641    HG1  THR  55           HG1      THR  55 -13.457  -1.340 -10.655
  642   1HG2  THR  55          1HG2      THR  55 -12.282   1.986 -10.142
  643   2HG2  THR  55          2HG2      THR  55 -13.954   1.425 -10.178
  644   3HG2  THR  55          3HG2      THR  55 -12.813   0.878 -11.407
  645    H    LEU  56           H        LEU  56 -11.374   0.216  -6.365
  646    HA   LEU  56           HA       LEU  56  -9.809  -1.975  -5.608
  647   1HB   LEU  56          1HB       LEU  56 -12.102  -0.656  -4.159
  648   2HB   LEU  56          2HB       LEU  56 -10.993  -1.800  -3.429
  649    HG   LEU  56           HG       LEU  56 -10.224   0.893  -4.558
  650   1HD1  LEU  56          1HD1      LEU  56 -11.602   0.643  -2.336
  651   2HD1  LEU  56          2HD1      LEU  56 -10.233   1.751  -2.436
  652   3HD1  LEU  56          3HD1      LEU  56 -10.036   0.171  -1.677
  653   1HD2  LEU  56          1HD2      LEU  56  -8.121   0.274  -3.142
  654   2HD2  LEU  56          2HD2      LEU  56  -8.298  -0.347  -4.783
  655   3HD2  LEU  56          3HD2      LEU  56  -8.673  -1.380  -3.403
  656    H    SER  57           H        SER  57 -13.118  -1.798  -6.662
  657    HA   SER  57           HA       SER  57 -14.225  -4.082  -5.595
  658   1HB   SER  57          1HB       SER  57 -15.700  -4.121  -7.571
  659   2HB   SER  57          2HB       SER  57 -15.498  -2.484  -6.947
  660    HG   SER  57           HG       SER  57 -13.662  -2.507  -8.617
  661    H    ASP  58           H        ASP  58 -12.272  -3.821  -8.563
  662    HA   ASP  58           HA       ASP  58 -12.422  -6.506  -9.331
  663   1HB   ASP  58          1HB       ASP  58 -10.203  -4.493  -9.748
  664   2HB   ASP  58          2HB       ASP  58 -10.282  -6.058 -10.552
  665    H    TYR  59           H        TYR  59 -10.152  -4.844  -7.190
  666    HA   TYR  59           HA       TYR  59  -8.471  -7.056  -6.692
  667   1HB   TYR  59          1HB       TYR  59  -9.033  -4.611  -5.000
  668   2HB   TYR  59          2HB       TYR  59  -7.747  -5.767  -4.680
  669    HD1  TYR  59           HD1      TYR  59  -5.683  -4.880  -5.173
  670    HD2  TYR  59           HD2      TYR  59  -8.945  -3.989  -7.757
  671    HE1  TYR  59           HE1      TYR  59  -4.172  -3.601  -6.632
  672    HE2  TYR  59           HE2      TYR  59  -7.441  -2.711  -9.223
  673    HH   TYR  59           HH       TYR  59  -5.269  -2.280  -9.707
  674    H    ASN  60           H        ASN  60 -11.500  -6.001  -5.316
  675    HA   ASN  60           HA       ASN  60 -12.962  -6.961  -3.871
  676   1HB   ASN  60          1HB       ASN  60 -12.661  -8.952  -5.310
  677   2HB   ASN  60          2HB       ASN  60 -11.309  -9.462  -4.304
  678   1HD2  ASN  60          1HD2      ASN  60 -11.805 -10.977  -2.912
  679   2HD2  ASN  60          2HD2      ASN  60 -13.336 -11.204  -2.145
  680    H    ILE  61           H        ILE  61 -11.024  -5.467  -2.720
  681    HA   ILE  61           HA       ILE  61  -9.606  -6.827  -0.653
  682    HB   ILE  61           HB       ILE  61 -10.299  -3.894  -0.872
  683   1HG1  ILE  61          1HG1      ILE  61  -7.776  -5.367  -1.668
  684   2HG1  ILE  61          2HG1      ILE  61  -8.995  -4.778  -2.792
  685   1HG2  ILE  61          1HG2      ILE  61  -9.265  -3.572   1.069
  686   2HG2  ILE  61          2HG2      ILE  61  -7.864  -4.501   0.535
  687   3HG2  ILE  61          3HG2      ILE  61  -9.233  -5.323   1.282
  688   1HD1  ILE  61          1HD1      ILE  61  -6.752  -3.418  -1.754
  689   2HD1  ILE  61          2HD1      ILE  61  -8.195  -2.618  -1.133
  690   3HD1  ILE  61          3HD1      ILE  61  -7.979  -2.820  -2.871
  691    H    GLN  62           H        GLN  62 -10.264  -7.438   1.300
  692    HA   GLN  62           HA       GLN  62 -13.009  -7.079   2.073
  693   1HB   GLN  62          1HB       GLN  62 -12.413  -8.477   4.011
  694   2HB   GLN  62          2HB       GLN  62 -11.906  -9.205   2.493
  695   1HG   GLN  62          1HG       GLN  62  -9.625  -8.495   2.880
  696   2HG   GLN  62          2HG       GLN  62 -10.112  -7.675   4.363
  697   1HE2  GLN  62          1HE2      GLN  62 -11.963 -10.372   4.201
  698   2HE2  GLN  62          2HE2      GLN  62 -10.983 -11.456   5.118
  699    H    LYS  63           H        LYS  63 -13.801  -5.988   3.874
  700    HA   LYS  63           HA       LYS  63 -12.619  -3.528   4.489
  701   1HB   LYS  63          1HB       LYS  63 -14.343  -3.321   6.221
  702   2HB   LYS  63          2HB       LYS  63 -15.018  -3.920   4.712
  703   1HG   LYS  63          1HG       LYS  63 -15.011  -6.192   5.605
  704   2HG   LYS  63          2HG       LYS  63 -14.323  -5.596   7.115
  705   1HD   LYS  63          1HD       LYS  63 -16.971  -4.694   5.988
  706   2HD   LYS  63          2HD       LYS  63 -16.791  -5.980   7.180
  707   1HE   LYS  63          1HE       LYS  63 -17.351  -3.975   8.348
  708   2HE   LYS  63          2HE       LYS  63 -15.657  -4.333   8.676
  709   1HZ   LYS  63          1HZ       LYS  63 -16.534  -1.940   7.932
  710   2HZ   LYS  63          2HZ       LYS  63 -16.172  -2.587   6.411
  711   3HZ   LYS  63          3HZ       LYS  63 -14.971  -2.497   7.599
  712    H    GLU  64           H        GLU  64 -11.641  -2.730   6.356
  713    HA   GLU  64           HA       GLU  64 -10.243  -2.710   8.140
  714   1HB   GLU  64          1HB       GLU  64 -11.463  -5.410   8.734
  715   2HB   GLU  64          2HB       GLU  64 -10.464  -4.481   9.843
  716   1HG   GLU  64          1HG       GLU  64 -12.128  -2.696   9.854
  717   2HG   GLU  64          2HG       GLU  64 -13.129  -3.624   8.739
  718    H    SER  65           H        SER  65  -8.960  -3.230   5.898
  719    HA   SER  65           HA       SER  65  -7.119  -5.432   6.566
  720   1HB   SER  65          1HB       SER  65  -7.858  -4.335   3.845
  721   2HB   SER  65          2HB       SER  65  -6.575  -5.512   4.128
  722    HG   SER  65           HG       SER  65  -8.020  -7.029   4.421
  723    H    THR  66           H        THR  66  -4.949  -5.034   6.586
  724    HA   THR  66           HA       THR  66  -4.175  -2.218   6.590
  725    HB   THR  66           HB       THR  66  -2.610  -4.648   7.487
  726    HG1  THR  66           HG1      THR  66  -4.294  -4.336   8.905
  727   1HG2  THR  66          1HG2      THR  66  -0.847  -3.317   7.807
  728   2HG2  THR  66          2HG2      THR  66  -1.833  -2.112   8.636
  729   3HG2  THR  66          3HG2      THR  66  -1.695  -2.080   6.878
  730    H    LEU  67           H        LEU  67  -3.361  -1.370   4.790
  731    HA   LEU  67           HA       LEU  67  -2.163  -3.098   2.773
  732   1HB   LEU  67          1HB       LEU  67  -2.771  -0.142   2.683
  733   2HB   LEU  67          2HB       LEU  67  -2.241  -1.123   1.330
  734    HG   LEU  67           HG       LEU  67  -4.867  -1.393   2.796
  735   1HD1  LEU  67          1HD1      LEU  67  -5.099   0.482   1.457
  736   2HD1  LEU  67          2HD1      LEU  67  -5.681  -0.816   0.414
  737   3HD1  LEU  67          3HD1      LEU  67  -4.056  -0.167   0.192
  738   1HD2  LEU  67          1HD2      LEU  67  -4.028  -3.562   2.036
  739   2HD2  LEU  67          2HD2      LEU  67  -3.822  -2.912   0.409
  740   3HD2  LEU  67          3HD2      LEU  67  -5.436  -3.051   1.105
  741    H    HIS  68           H        HIS  68  -0.050  -3.077   2.178
  742    HA   HIS  68           HA       HIS  68   1.829  -1.930   4.021
  743   1HB   HIS  68          1HB       HIS  68   2.256  -3.449   1.444
  744   2HB   HIS  68          2HB       HIS  68   3.535  -2.995   2.565
  745    HD1  HIS  68           HD1      HIS  68   2.823  -3.905   5.188
  746    HD2  HIS  68           HD2      HIS  68   1.534  -6.008   1.845
  747    HE1  HIS  68           HE1      HIS  68   2.293  -6.221   6.013
  748    HE2  HIS  68           HE2      HIS  68   1.411  -7.441   3.994
  749    H    LEU  69           H        LEU  69   3.397  -0.365   3.626
  750    HA   LEU  69           HA       LEU  69   3.122   1.183   1.141
  751   1HB   LEU  69          1HB       LEU  69   1.861   2.175   3.127
  752   2HB   LEU  69          2HB       LEU  69   3.423   2.473   3.847
  753    HG   LEU  69           HG       LEU  69   2.617   3.594   1.168
  754   1HD1  LEU  69          1HD1      LEU  69   1.092   4.697   2.458
  755   2HD1  LEU  69          2HD1      LEU  69   2.496   5.730   2.724
  756   3HD1  LEU  69          3HD1      LEU  69   2.046   4.526   3.931
  757   1HD2  LEU  69          1HD2      LEU  69   4.759   4.177   1.111
  758   2HD2  LEU  69          2HD2      LEU  69   5.019   3.587   2.752
  759   3HD2  LEU  69          3HD2      LEU  69   4.443   5.233   2.488
  760    H    VAL  70           H        VAL  70   5.030   1.874   0.277
  761    HA   VAL  70           HA       VAL  70   7.466   1.529   1.900
  762    HB   VAL  70           HB       VAL  70   7.294   0.927  -1.054
  763   1HG1  VAL  70          1HG1      VAL  70   9.506   1.488  -0.493
  764   2HG1  VAL  70          2HG1      VAL  70   9.466  -0.277  -0.516
  765   3HG1  VAL  70          3HG1      VAL  70   9.437   0.589   1.023
  766   1HG2  VAL  70          1HG2      VAL  70   5.993  -0.776  -0.126
  767   2HG2  VAL  70          2HG2      VAL  70   7.012  -0.899   1.308
  768   3HG2  VAL  70          3HG2      VAL  70   7.605  -1.484  -0.248
  769    H    LEU  71           H        LEU  71   8.663   3.323   2.011
  770    HA   LEU  71           HA       LEU  71   7.987   5.593   0.350
  771   1HB   LEU  71          1HB       LEU  71  10.011   5.284   2.568
  772   2HB   LEU  71          2HB       LEU  71   9.650   6.793   1.752
  773    HG   LEU  71           HG       LEU  71   7.703   5.189   3.413
  774   1HD1  LEU  71          1HD1      LEU  71   7.860   7.388   4.784
  775   2HD1  LEU  71          2HD1      LEU  71   9.418   7.568   3.976
  776   3HD1  LEU  71          3HD1      LEU  71   9.102   6.150   4.975
  777   1HD2  LEU  71          1HD2      LEU  71   6.529   6.335   1.659
  778   2HD2  LEU  71          2HD2      LEU  71   7.416   7.826   1.980
  779   3HD2  LEU  71          3HD2      LEU  71   6.273   7.205   3.171
  780    H    ARG  72           H        ARG  72   8.966   6.126  -1.467
  781    HA   ARG  72           HA       ARG  72  10.983   4.617  -2.666
  782   1HB   ARG  72          1HB       ARG  72  10.157   7.472  -3.210
  783   2HB   ARG  72          2HB       ARG  72  11.185   6.513  -4.265
  784   1HG   ARG  72          1HG       ARG  72   9.358   4.919  -4.594
  785   2HG   ARG  72          2HG       ARG  72   8.328   5.895  -3.544
  786   1HD   ARG  72          1HD       ARG  72   7.897   6.339  -5.918
  787   2HD   ARG  72          2HD       ARG  72   8.496   7.768  -5.078
  788    HE   ARG  72           HE       ARG  72  10.667   6.410  -6.223
  789   1HH1  ARG  72          1HH1      ARG  72   7.870   8.261  -7.170
  790   2HH1  ARG  72          2HH1      ARG  72   8.593   8.845  -8.632
  791   1HH2  ARG  72          1HH2      ARG  72  11.625   7.176  -8.142
  792   2HH2  ARG  72          2HH2      ARG  72  10.728   8.229  -9.183
  793    H    LEU  73           H        LEU  73  13.177   4.810  -2.836
  794    HA   LEU  73           HA       LEU  73  14.609   5.933  -0.706
  795   1HB   LEU  73          1HB       LEU  73  15.423   4.070  -2.103
  796   2HB   LEU  73          2HB       LEU  73  15.618   5.175  -3.451
  797    HG   LEU  73           HG       LEU  73  17.306   6.432  -2.128
  798   1HD1  LEU  73          1HD1      LEU  73  16.533   4.413  -0.103
  799   2HD1  LEU  73          2HD1      LEU  73  17.021   6.096   0.098
  800   3HD1  LEU  73          3HD1      LEU  73  18.238   4.855  -0.203
  801   1HD2  LEU  73          1HD2      LEU  73  18.240   3.610  -2.160
  802   2HD2  LEU  73          2HD2      LEU  73  19.017   5.068  -2.778
  803   3HD2  LEU  73          3HD2      LEU  73  17.690   4.329  -3.674
  804    H    ARG  74           H        ARG  74  15.496   7.888  -0.363
  805    HA   ARG  74           HA       ARG  74  16.258   9.703  -2.389
  806   1HB   ARG  74          1HB       ARG  74  13.813   9.930  -2.652
  807   2HB   ARG  74          2HB       ARG  74  13.681  10.376  -0.956
  808   1HG   ARG  74          1HG       ARG  74  15.069  12.359  -1.389
  809   2HG   ARG  74          2HG       ARG  74  15.127  11.920  -3.098
  810   1HD   ARG  74          1HD       ARG  74  12.688  12.099  -3.222
  811   2HD   ARG  74          2HD       ARG  74  12.636  12.544  -1.517
  812    HE   ARG  74           HE       ARG  74  13.128  14.279  -3.675
  813   1HH1  ARG  74          1HH1      ARG  74  14.246  13.614  -0.438
  814   2HH1  ARG  74          2HH1      ARG  74  14.782  15.237  -0.156
  815   1HH2  ARG  74          1HH2      ARG  74  13.833  16.411  -3.309
  816   2HH2  ARG  74          2HH2      ARG  74  14.552  16.824  -1.788
  817    H    GLY  75           H        GLY  75  15.047   9.418   0.930
  818   1HA   GLY  75          1HA       GLY  75  16.463  11.642   1.965
  819   2HA   GLY  75          2HA       GLY  75  15.780  10.327   2.907
  820    H    GLY  76           H        GLY  76  17.342   9.699   4.253
  821   1HA   GLY  76          1HA       GLY  76  20.113   9.818   3.652
  822   2HA   GLY  76          2HA       GLY  76  19.389   8.998   5.026
  Start of MODEL   19
    1   1H    TYR 255          1H        TYR 255  24.330  -2.609  -6.275
    2   2H    TYR 255          2H        TYR 255  25.641  -3.556  -5.781
    3   3H    TYR 255          3H        TYR 255  25.216  -2.176  -4.900
    4    HA   TYR 255           HA       TYR 255  23.923  -4.804  -4.993
    5   1HB   TYR 255          1HB       TYR 255  24.693  -2.808  -2.863
    6   2HB   TYR 255          2HB       TYR 255  23.709  -4.225  -2.518
    7    HD1  TYR 255           HD1      TYR 255  24.911  -5.835  -1.416
    8    HD2  TYR 255           HD2      TYR 255  26.834  -3.642  -4.515
    9    HE1  TYR 255           HE1      TYR 255  26.942  -7.183  -1.100
   10    HE2  TYR 255           HE2      TYR 255  28.870  -4.987  -4.209
   11    HH   TYR 255           HH       TYR 255  28.982  -7.646  -1.861
   12    HA   PRO 256           HA       PRO 256  19.842  -3.192  -5.605
   13   1HB   PRO 256          1HB       PRO 256  19.022  -5.273  -3.650
   14   2HB   PRO 256          2HB       PRO 256  18.456  -4.992  -5.300
   15   1HG   PRO 256          1HG       PRO 256  20.075  -7.035  -4.738
   16   2HG   PRO 256          2HG       PRO 256  20.245  -6.119  -6.247
   17   1HD   PRO 256          1HD       PRO 256  21.893  -5.995  -3.756
   18   2HD   PRO 256          2HD       PRO 256  22.402  -5.882  -5.454
   19    H    GLU 257           H        GLU 257  18.543  -1.724  -4.630
   20    HA   GLU 257           HA       GLU 257  19.306  -0.397  -2.333
   21   1HB   GLU 257          1HB       GLU 257  16.519  -0.571  -3.492
   22   2HB   GLU 257          2HB       GLU 257  17.092   0.667  -2.382
   23   1HG   GLU 257          1HG       GLU 257  18.126   0.181  -5.167
   24   2HG   GLU 257          2HG       GLU 257  17.031   1.473  -4.678
   25    H    ASP 258           H        ASP 258  18.936  -0.607  -0.196
   26    HA   ASP 258           HA       ASP 258  18.138  -3.066   0.872
   27   1HB   ASP 258          1HB       ASP 258  18.133  -1.872   3.072
   28   2HB   ASP 258          2HB       ASP 258  19.608  -1.657   2.138
   29    H    GLU 259           H        GLU 259  16.334  -0.097   0.324
   30    HA   GLU 259           HA       GLU 259  14.049  -0.722   1.816
   31   1HB   GLU 259          1HB       GLU 259  14.600   1.517   0.893
   32   2HB   GLU 259          2HB       GLU 259  14.230   0.916  -0.717
   33   1HG   GLU 259          1HG       GLU 259  12.378   2.177   0.153
   34   2HG   GLU 259          2HG       GLU 259  11.933   0.481  -0.019
   35    H    GLU 260           H        GLU 260  15.035  -1.546  -1.451
   36    HA   GLU 260           HA       GLU 260  12.654  -2.515  -2.490
   37   1HB   GLU 260          1HB       GLU 260  14.685  -2.252  -3.826
   38   2HB   GLU 260          2HB       GLU 260  15.460  -3.553  -2.934
   39   1HG   GLU 260          1HG       GLU 260  13.800  -5.128  -3.800
   40   2HG   GLU 260          2HG       GLU 260  13.040  -3.820  -4.706
   41    H    GLU 261           H        GLU 261  14.998  -4.078  -0.372
   42    HA   GLU 261           HA       GLU 261  14.006  -6.685  -0.434
   43   1HB   GLU 261          1HB       GLU 261  16.132  -6.103   0.626
   44   2HB   GLU 261          2HB       GLU 261  15.282  -5.195   1.868
   45   1HG   GLU 261          1HG       GLU 261  14.226  -7.252   2.652
   46   2HG   GLU 261          2HG       GLU 261  15.081  -8.162   1.407
   47    H    LEU 262           H        LEU 262  13.035  -3.899   1.498
   48    HA   LEU 262           HA       LEU 262  11.167  -5.304   3.105
   49   1HB   LEU 262          1HB       LEU 262  11.528  -2.382   2.480
   50   2HB   LEU 262          2HB       LEU 262  10.248  -2.962   3.529
   51    HG   LEU 262           HG       LEU 262  11.989  -3.966   5.010
   52   1HD1  LEU 262          1HD1      LEU 262  14.308  -3.062   4.741
   53   2HD1  LEU 262          2HD1      LEU 262  13.845  -2.541   3.122
   54   3HD1  LEU 262          3HD1      LEU 262  13.826  -4.255   3.536
   55   1HD2  LEU 262          1HD2      LEU 262  12.311  -1.004   4.571
   56   2HD2  LEU 262          2HD2      LEU 262  12.611  -1.898   6.063
   57   3HD2  LEU 262          3HD2      LEU 262  10.969  -1.754   5.435
   58    H    ILE 263           H        ILE 263  10.922  -3.523   0.059
   59    HA   ILE 263           HA       ILE 263   8.136  -3.488  -0.185
   60    HB   ILE 263           HB       ILE 263  10.403  -3.242  -2.053
   61   1HG1  ILE 263          1HG1      ILE 263   7.790  -1.766  -1.754
   62   2HG1  ILE 263          2HG1      ILE 263   9.324  -1.312  -1.023
   63   1HG2  ILE 263          1HG2      ILE 263   9.191  -4.896  -3.300
   64   2HG2  ILE 263          2HG2      ILE 263   8.918  -3.325  -4.053
   65   3HG2  ILE 263          3HG2      ILE 263   7.669  -4.044  -3.036
   66   1HD1  ILE 263          1HD1      ILE 263   9.785  -0.104  -2.811
   67   2HD1  ILE 263          2HD1      ILE 263   8.293  -0.640  -3.583
   68   3HD1  ILE 263          3HD1      ILE 263   9.777  -1.571  -3.790
   69    H    ARG 264           H        ARG 264  10.440  -5.884  -1.516
   70    HA   ARG 264           HA       ARG 264   8.438  -7.621  -2.474
   71   1HB   ARG 264          1HB       ARG 264  10.221  -9.310  -2.618
   72   2HB   ARG 264          2HB       ARG 264  10.683  -7.774  -3.336
   73   1HG   ARG 264          1HG       ARG 264  11.966  -7.228  -1.323
   74   2HG   ARG 264          2HG       ARG 264  11.506  -8.782  -0.624
   75   1HD   ARG 264          1HD       ARG 264  13.754  -8.851  -1.598
   76   2HD   ARG 264          2HD       ARG 264  12.649  -9.954  -2.415
   77    HE   ARG 264           HE       ARG 264  12.633  -7.528  -3.799
   78   1HH1  ARG 264          1HH1      ARG 264  14.825 -10.142  -3.087
   79   2HH1  ARG 264          2HH1      ARG 264  15.727  -9.956  -4.553
   80   1HH2  ARG 264          1HH2      ARG 264  13.813  -7.276  -5.733
   81   2HH2  ARG 264          2HH2      ARG 264  15.153  -8.325  -6.058
   82    H    LYS 265           H        LYS 265  10.109  -7.400   0.625
   83    HA   LYS 265           HA       LYS 265   9.314  -9.825   1.750
   84   1HB   LYS 265          1HB       LYS 265  10.888  -8.213   2.816
   85   2HB   LYS 265          2HB       LYS 265   9.529  -7.149   3.151
   86   1HG   LYS 265          1HG       LYS 265   8.533  -8.860   4.579
   87   2HG   LYS 265          2HG       LYS 265   9.890  -9.935   4.238
   88   1HD   LYS 265          1HD       LYS 265  10.092  -7.234   5.574
   89   2HD   LYS 265          2HD       LYS 265  10.126  -8.790   6.406
   90   1HE   LYS 265          1HE       LYS 265  12.117  -7.834   4.350
   91   2HE   LYS 265          2HE       LYS 265  12.382  -7.901   6.091
   92   1HZ   LYS 265          1HZ       LYS 265  13.164  -9.825   4.508
   93   2HZ   LYS 265          2HZ       LYS 265  11.576 -10.364   4.732
   94   3HZ   LYS 265          3HZ       LYS 265  12.592 -10.151   6.067
   95    H    ALA 266           H        ALA 266   7.698  -6.702   1.580
   96    HA   ALA 266           HA       ALA 266   5.339  -7.433   2.955
   97   1HB   ALA 266          1HB       ALA 266   6.351  -5.090   2.056
   98   2HB   ALA 266          2HB       ALA 266   4.667  -5.313   2.533
   99   3HB   ALA 266          3HB       ALA 266   5.120  -5.397   0.830
  100    H    ILE 267           H        ILE 267   6.415  -7.621  -0.371
  101    HA   ILE 267           HA       ILE 267   3.979  -8.274  -1.591
  102    HB   ILE 267           HB       ILE 267   6.795  -8.980  -2.397
  103   1HG1  ILE 267          1HG1      ILE 267   4.892  -6.829  -3.356
  104   2HG1  ILE 267          2HG1      ILE 267   6.273  -6.572  -2.297
  105   1HG2  ILE 267          1HG2      ILE 267   5.348  -9.011  -4.700
  106   2HG2  ILE 267          2HG2      ILE 267   4.209  -9.727  -3.560
  107   3HG2  ILE 267          3HG2      ILE 267   5.804 -10.446  -3.781
  108   1HD1  ILE 267          1HD1      ILE 267   6.152  -6.727  -5.172
  109   2HD1  ILE 267          2HD1      ILE 267   7.334  -7.858  -4.510
  110   3HD1  ILE 267          3HD1      ILE 267   7.444  -6.140  -4.124
  111    H    GLU 268           H        GLU 268   6.470 -10.293  -0.112
  112    HA   GLU 268           HA       GLU 268   5.344 -12.786  -0.822
  113   1HB   GLU 268          1HB       GLU 268   7.117 -12.104   1.528
  114   2HB   GLU 268          2HB       GLU 268   6.819 -13.718   0.900
  115   1HG   GLU 268          1HG       GLU 268   7.889 -13.115  -1.199
  116   2HG   GLU 268          2HG       GLU 268   8.158 -11.478  -0.602
  117    H    LEU 269           H        LEU 269   5.073 -10.755   2.066
  118    HA   LEU 269           HA       LEU 269   3.494 -12.471   3.612
  119   1HB   LEU 269          1HB       LEU 269   3.524  -9.453   3.555
  120   2HB   LEU 269          2HB       LEU 269   2.802 -10.427   4.821
  121    HG   LEU 269           HG       LEU 269   5.741 -10.395   4.123
  122   1HD1  LEU 269          1HD1      LEU 269   6.110  -8.899   5.795
  123   2HD1  LEU 269          2HD1      LEU 269   4.683  -9.392   6.706
  124   3HD1  LEU 269          3HD1      LEU 269   4.510  -8.360   5.287
  125   1HD2  LEU 269          1HD2      LEU 269   5.754 -12.352   5.199
  126   2HD2  LEU 269          2HD2      LEU 269   4.096 -12.149   5.763
  127   3HD2  LEU 269          3HD2      LEU 269   5.428 -11.420   6.660
  128    H    SER 270           H        SER 270   2.569 -10.003   1.241
  129    HA   SER 270           HA       SER 270  -0.214 -10.186   1.651
  130   1HB   SER 270          1HB       SER 270  -0.421  -9.028  -0.506
  131   2HB   SER 270          2HB       SER 270   0.829  -8.288   0.493
  132    HG   SER 270           HG       SER 270   1.330 -10.203  -1.541
  133    H    LEU 271           H        LEU 271   1.935 -11.813  -0.666
  134    HA   LEU 271           HA       LEU 271  -0.028 -13.160  -2.125
  135   1HB   LEU 271          1HB       LEU 271   2.811 -13.963  -1.497
  136   2HB   LEU 271          2HB       LEU 271   1.794 -14.801  -2.653
  137    HG   LEU 271           HG       LEU 271   2.687 -11.923  -2.856
  138   1HD1  LEU 271          1HD1      LEU 271   4.422 -13.706  -3.233
  139   2HD1  LEU 271          2HD1      LEU 271   4.132 -12.625  -4.596
  140   3HD1  LEU 271          3HD1      LEU 271   3.450 -14.251  -4.600
  141   1HD2  LEU 271          1HD2      LEU 271   1.742 -12.745  -5.313
  142   2HD2  LEU 271          2HD2      LEU 271   0.903 -11.691  -4.175
  143   3HD2  LEU 271          3HD2      LEU 271   0.577 -13.424  -4.177
  144    H    LYS 272           H        LYS 272   1.734 -14.192   0.786
  145    HA   LYS 272           HA       LYS 272   0.600 -16.751   0.981
  146   1HB   LYS 272          1HB       LYS 272   2.574 -16.046   2.269
  147   2HB   LYS 272          2HB       LYS 272   1.574 -14.944   3.203
  148   1HG   LYS 272          1HG       LYS 272   1.997 -16.929   4.487
  149   2HG   LYS 272          2HG       LYS 272   0.289 -16.871   4.049
  150   1HD   LYS 272          1HD       LYS 272   0.727 -18.431   2.200
  151   2HD   LYS 272          2HD       LYS 272   2.425 -18.504   2.675
  152   1HE   LYS 272          1HE       LYS 272   0.071 -19.349   4.362
  153   2HE   LYS 272          2HE       LYS 272   1.181 -20.429   3.520
  154   1HZ   LYS 272          1HZ       LYS 272   2.659 -18.655   5.125
  155   2HZ   LYS 272          2HZ       LYS 272   2.546 -20.339   5.243
  156   3HZ   LYS 272          3HZ       LYS 272   1.448 -19.358   6.075
  157    H    GLU 273           H        GLU 273  -0.434 -13.631   2.283
  158    HA   GLU 273           HA       GLU 273  -2.608 -14.562   3.802
  159   1HB   GLU 273          1HB       GLU 273  -1.640 -12.320   4.063
  160   2HB   GLU 273          2HB       GLU 273  -2.225 -11.878   2.466
  161   1HG   GLU 273          1HG       GLU 273  -3.672 -10.952   4.142
  162   2HG   GLU 273          2HG       GLU 273  -4.534 -12.199   3.242
  163    H    SER 274           H        SER 274  -2.346 -13.588   0.422
  164    HA   SER 274           HA       SER 274  -5.161 -13.774  -0.088
  165   1HB   SER 274          1HB       SER 274  -4.530 -13.447  -2.449
  166   2HB   SER 274          2HB       SER 274  -3.750 -12.263  -1.401
  167    HG   SER 274           HG       SER 274  -2.589 -14.609  -2.495
  168    H    ARG 275           H        ARG 275  -4.814 -16.084   1.061
  169    HA   ARG 275           HA       ARG 275  -3.877 -18.261  -0.392
  170   1HB   ARG 275          1HB       ARG 275  -5.377 -19.627   1.021
  171   2HB   ARG 275          2HB       ARG 275  -4.459 -18.453   1.953
  172   1HG   ARG 275          1HG       ARG 275  -6.401 -17.000   2.077
  173   2HG   ARG 275          2HG       ARG 275  -7.326 -18.131   1.089
  174   1HD   ARG 275          1HD       ARG 275  -6.150 -18.706   3.807
  175   2HD   ARG 275          2HD       ARG 275  -7.848 -18.381   3.465
  176    HE   ARG 275           HE       ARG 275  -6.976 -20.544   1.891
  177   1HH1  ARG 275          1HH1      ARG 275  -7.703 -19.734   5.202
  178   2HH1  ARG 275          2HH1      ARG 275  -8.133 -21.354   5.639
  179   1HH2  ARG 275          1HH2      ARG 275  -7.541 -22.681   2.459
  180   2HH2  ARG 275          2HH2      ARG 275  -8.042 -23.027   4.081
  181    H    ASN 276           H        ASN 276  -7.092 -16.767  -0.385
  182    HA   ASN 276           HA       ASN 276  -7.618 -17.462  -3.073
  183   1HB   ASN 276          1HB       ASN 276  -7.904 -19.716  -2.134
  184   2HB   ASN 276          2HB       ASN 276  -9.090 -19.095  -0.990
  185   1HD2  ASN 276          1HD2      ASN 276  -8.736 -20.689  -3.818
  186   2HD2  ASN 276          2HD2      ASN 276 -10.268 -20.353  -4.543
  187    H    SER 277           H        SER 277  -9.062 -16.783   0.085
  188    HA   SER 277           HA       SER 277 -10.324 -14.407  -0.905
  189   1HB   SER 277          1HB       SER 277 -12.062 -16.743  -0.070
  190   2HB   SER 277          2HB       SER 277 -12.643 -15.097  -0.321
  191    HG   SER 277           HG       SER 277 -12.354 -15.298  -2.450
  192    H    ALA 278           H        ALA 278  -8.432 -14.730   1.035
  193    HA   ALA 278           HA       ALA 278  -7.906 -14.172   3.174
  194   1HB   ALA 278          1HB       ALA 278  -9.255 -12.193   2.638
  195   2HB   ALA 278          2HB       ALA 278  -9.383 -12.636   4.340
  196   3HB   ALA 278          3HB       ALA 278 -10.695 -13.024   3.228
  197   1H    MET   1          1H        MET   1 -14.801   2.923   0.420
  198   2H    MET   1          2H        MET   1 -14.723   3.768   1.882
  199   3H    MET   1          3H        MET   1 -16.170   3.031   1.409
  200    HA   MET   1           HA       MET   1 -15.523   1.406   2.778
  201   1HB   MET   1          1HB       MET   1 -14.247  -0.321   1.564
  202   2HB   MET   1          2HB       MET   1 -15.470   0.427   0.548
  203   1HG   MET   1          1HG       MET   1 -13.721   1.856  -0.445
  204   2HG   MET   1          2HG       MET   1 -12.519   0.999   0.517
  205   1HE   MET   1          1HE       MET   1 -13.788  -2.414  -0.171
  206   2HE   MET   1          2HE       MET   1 -12.569  -1.470   0.686
  207   3HE   MET   1          3HE       MET   1 -12.137  -2.339  -0.786
  208    H    GLN   2           H        GLN   2 -14.279   1.015   4.499
  209    HA   GLN   2           HA       GLN   2 -11.901   2.569   4.902
  210   1HB   GLN   2          1HB       GLN   2 -13.227   0.480   6.635
  211   2HB   GLN   2          2HB       GLN   2 -11.870   1.478   7.135
  212   1HG   GLN   2          1HG       GLN   2 -13.239   3.482   6.843
  213   2HG   GLN   2          2HG       GLN   2 -14.601   2.472   6.359
  214   1HE2  GLN   2          1HE2      GLN   2 -13.278   4.111   8.866
  215   2HE2  GLN   2          2HE2      GLN   2 -14.005   3.269  10.188
  216    H    ILE   3           H        ILE   3  -9.804   1.873   5.121
  217    HA   ILE   3           HA       ILE   3  -9.187  -0.951   4.767
  218    HB   ILE   3           HB       ILE   3  -7.549  -0.500   2.969
  219   1HG1  ILE   3          1HG1      ILE   3  -8.893   2.208   2.801
  220   2HG1  ILE   3          2HG1      ILE   3  -7.272   1.923   3.426
  221   1HG2  ILE   3          1HG2      ILE   3  -9.910   0.454   1.594
  222   2HG2  ILE   3          2HG2      ILE   3 -10.296  -0.820   2.751
  223   3HG2  ILE   3          3HG2      ILE   3  -9.097  -1.108   1.491
  224   1HD1  ILE   3          1HD1      ILE   3  -6.647   2.430   1.341
  225   2HD1  ILE   3          2HD1      ILE   3  -8.235   2.066   0.666
  226   3HD1  ILE   3          3HD1      ILE   3  -7.094   0.761   0.991
  227    H    PHE   4           H        PHE   4  -7.302  -1.559   5.726
  228    HA   PHE   4           HA       PHE   4  -5.977   0.455   7.352
  229   1HB   PHE   4          1HB       PHE   4  -6.061  -2.532   7.371
  230   2HB   PHE   4          2HB       PHE   4  -4.703  -1.715   8.135
  231    HD1  PHE   4           HD1      PHE   4  -8.320  -2.297   8.262
  232    HD2  PHE   4           HD2      PHE   4  -4.978  -0.459  10.148
  233    HE1  PHE   4           HE1      PHE   4  -9.667  -1.937  10.291
  234    HE2  PHE   4           HE2      PHE   4  -6.314  -0.092  12.178
  235    HZ   PHE   4           HZ       PHE   4  -8.663  -0.837  12.254
  236    H    VAL   5           H        VAL   5  -3.690   0.663   7.458
  237    HA   VAL   5           HA       VAL   5  -2.220  -0.310   5.111
  238    HB   VAL   5           HB       VAL   5  -2.136   2.548   6.098
  239   1HG1  VAL   5          1HG1      VAL   5  -0.760   2.852   3.993
  240   2HG1  VAL   5          2HG1      VAL   5  -0.620   1.094   3.945
  241   3HG1  VAL   5          3HG1      VAL   5   0.023   1.993   5.319
  242   1HG2  VAL   5          1HG2      VAL   5  -4.047   1.409   4.489
  243   2HG2  VAL   5          2HG2      VAL   5  -2.899   2.071   3.324
  244   3HG2  VAL   5          3HG2      VAL   5  -3.630   3.123   4.537
  245    H    LYS   6           H        LYS   6  -0.566  -1.445   5.854
  246    HA   LYS   6           HA       LYS   6   0.523  -0.878   8.495
  247   1HB   LYS   6          1HB       LYS   6  -0.011  -3.189   8.049
  248   2HB   LYS   6          2HB       LYS   6   0.965  -3.177   6.587
  249   1HG   LYS   6          1HG       LYS   6   2.976  -2.814   7.954
  250   2HG   LYS   6          2HG       LYS   6   1.980  -2.888   9.408
  251   1HD   LYS   6          1HD       LYS   6   2.192  -5.115   7.386
  252   2HD   LYS   6          2HD       LYS   6   3.161  -5.018   8.857
  253   1HE   LYS   6          1HE       LYS   6   1.105  -5.029  10.197
  254   2HE   LYS   6          2HE       LYS   6   0.150  -5.157   8.720
  255   1HZ   LYS   6          1HZ       LYS   6   0.728  -7.276  10.050
  256   2HZ   LYS   6          2HZ       LYS   6   2.235  -7.154   9.293
  257   3HZ   LYS   6          3HZ       LYS   6   0.831  -7.312   8.362
  258    H    THR   7           H        THR   7   2.425   0.019   8.868
  259    HA   THR   7           HA       THR   7   4.030   0.940   6.629
  260    HB   THR   7           HB       THR   7   5.313   2.187   8.314
  261    HG1  THR   7           HG1      THR   7   4.027   1.995  10.515
  262   1HG2  THR   7          1HG2      THR   7   3.653   3.767   8.883
  263   2HG2  THR   7          2HG2      THR   7   2.389   2.538   8.938
  264   3HG2  THR   7          3HG2      THR   7   3.088   3.015   7.391
  265    H    LEU   8           H        LEU   8   6.214   0.383   6.305
  266    HA   LEU   8           HA       LEU   8   6.963  -2.234   6.626
  267   1HB   LEU   8          1HB       LEU   8   8.735   0.199   6.449
  268   2HB   LEU   8          2HB       LEU   8   9.319  -1.447   6.303
  269    HG   LEU   8           HG       LEU   8   7.325  -0.144   4.451
  270   1HD1  LEU   8          1HD1      LEU   8  10.179  -0.897   3.883
  271   2HD1  LEU   8          2HD1      LEU   8   9.678   0.728   4.348
  272   3HD1  LEU   8          3HD1      LEU   8   9.072   0.011   2.857
  273   1HD2  LEU   8          1HD2      LEU   8   7.996  -2.884   4.928
  274   2HD2  LEU   8          2HD2      LEU   8   8.519  -2.419   3.309
  275   3HD2  LEU   8          3HD2      LEU   8   6.835  -2.204   3.788
  276    H    THR   9           H        THR   9   7.449   0.436   8.858
  277    HA   THR   9           HA       THR   9   9.217  -0.830  10.634
  278    HB   THR   9           HB       THR   9   8.479   0.812  12.305
  279    HG1  THR   9           HG1      THR   9   6.829   2.373  11.355
  280   1HG2  THR   9          1HG2      THR   9   9.113   2.814  11.119
  281   2HG2  THR   9          2HG2      THR   9   8.697   2.076   9.572
  282   3HG2  THR   9          3HG2      THR   9  10.065   1.463  10.501
  283    H    GLY  10           H        GLY  10   5.653  -0.592  10.697
  284   1HA   GLY  10          1HA       GLY  10   4.691  -2.892  11.306
  285   2HA   GLY  10          2HA       GLY  10   5.640  -2.686  12.770
  286    H    LYS  11           H        LYS  11   3.327  -0.723  10.860
  287    HA   LYS  11           HA       LYS  11   1.634  -0.474  13.210
  288   1HB   LYS  11          1HB       LYS  11   3.294   1.347  13.445
  289   2HB   LYS  11          2HB       LYS  11   2.819   1.963  11.870
  290   1HG   LYS  11          1HG       LYS  11   0.573   2.406  12.706
  291   2HG   LYS  11          2HG       LYS  11   1.032   1.765  14.285
  292   1HD   LYS  11          1HD       LYS  11   2.719   3.515  14.509
  293   2HD   LYS  11          2HD       LYS  11   2.271   4.157  12.928
  294   1HE   LYS  11          1HE       LYS  11   1.236   5.460  14.695
  295   2HE   LYS  11          2HE       LYS  11   0.008   4.602  13.767
  296   1HZ   LYS  11          1HZ       LYS  11  -0.624   4.244  15.945
  297   2HZ   LYS  11          2HZ       LYS  11   0.963   4.069  16.503
  298   3HZ   LYS  11          3HZ       LYS  11   0.245   2.834  15.597
  299    H    THR  12           H        THR  12  -0.334  -0.892  12.487
  300    HA   THR  12           HA       THR  12  -1.055  -0.257   9.728
  301    HB   THR  12           HB       THR  12  -3.041  -1.658  10.143
  302    HG1  THR  12           HG1      THR  12  -3.589  -1.910  12.165
  303   1HG2  THR  12          1HG2      THR  12  -1.827  -3.426   9.534
  304   2HG2  THR  12          2HG2      THR  12  -1.124  -3.556  11.146
  305   3HG2  THR  12          3HG2      THR  12  -0.380  -2.505   9.942
  306    H    ILE  13           H        ILE  13  -2.633   1.204   9.181
  307    HA   ILE  13           HA       ILE  13  -4.132   2.477  11.370
  308    HB   ILE  13           HB       ILE  13  -2.716   3.981   9.170
  309   1HG1  ILE  13          1HG1      ILE  13  -1.203   3.189  10.952
  310   2HG1  ILE  13          2HG1      ILE  13  -1.363   4.940  10.965
  311   1HG2  ILE  13          1HG2      ILE  13  -4.263   5.543   9.493
  312   2HG2  ILE  13          2HG2      ILE  13  -3.621   5.752  11.123
  313   3HG2  ILE  13          3HG2      ILE  13  -4.968   4.647  10.840
  314   1HD1  ILE  13          1HD1      ILE  13  -1.648   3.229  13.116
  315   2HD1  ILE  13          2HD1      ILE  13  -3.300   3.683  12.699
  316   3HD1  ILE  13          3HD1      ILE  13  -2.106   4.931  13.054
  317    H    THR  14           H        THR  14  -6.186   3.063  10.923
  318    HA   THR  14           HA       THR  14  -7.451   1.974   8.602
  319    HB   THR  14           HB       THR  14  -8.615   3.848  10.674
  320    HG1  THR  14           HG1      THR  14  -9.495   1.656  11.364
  321   1HG2  THR  14          1HG2      THR  14  -9.804   3.461   8.414
  322   2HG2  THR  14          2HG2      THR  14 -10.735   3.256   9.898
  323   3HG2  THR  14          3HG2      THR  14 -10.129   1.843   9.035
  324    H    LEU  15           H        LEU  15  -8.388   3.050   6.861
  325    HA   LEU  15           HA       LEU  15  -8.235   5.943   6.720
  326   1HB   LEU  15          1HB       LEU  15  -6.007   4.863   5.933
  327   2HB   LEU  15          2HB       LEU  15  -6.918   4.396   4.510
  328    HG   LEU  15           HG       LEU  15  -5.638   6.439   4.119
  329   1HD1  LEU  15          1HD1      LEU  15  -7.919   6.045   3.081
  330   2HD1  LEU  15          2HD1      LEU  15  -7.317   7.703   3.077
  331   3HD1  LEU  15          3HD1      LEU  15  -8.535   7.209   4.254
  332   1HD2  LEU  15          1HD2      LEU  15  -5.362   7.849   5.813
  333   2HD2  LEU  15          2HD2      LEU  15  -6.715   7.152   6.704
  334   3HD2  LEU  15          3HD2      LEU  15  -7.004   8.415   5.507
  335    H    GLU  16           H        GLU  16 -10.108   6.573   5.935
  336    HA   GLU  16           HA       GLU  16 -11.862   4.765   4.549
  337   1HB   GLU  16          1HB       GLU  16 -12.775   6.319   6.173
  338   2HB   GLU  16          2HB       GLU  16 -12.136   7.687   5.275
  339   1HG   GLU  16          1HG       GLU  16 -14.488   7.515   4.876
  340   2HG   GLU  16          2HG       GLU  16 -13.626   7.105   3.395
  341    H    VAL  17           H        VAL  17 -12.196   4.590   2.416
  342    HA   VAL  17           HA       VAL  17 -11.602   6.784   0.616
  343    HB   VAL  17           HB       VAL  17 -10.193   5.348  -0.881
  344   1HG1  VAL  17          1HG1      VAL  17  -9.394   7.049   0.964
  345   2HG1  VAL  17          2HG1      VAL  17  -8.238   6.075   0.056
  346   3HG1  VAL  17          3HG1      VAL  17  -8.710   5.593   1.686
  347   1HG2  VAL  17          1HG2      VAL  17 -10.789   3.175   0.034
  348   2HG2  VAL  17          2HG2      VAL  17 -10.021   3.593   1.566
  349   3HG2  VAL  17          3HG2      VAL  17  -9.044   3.422   0.108
  350    H    GLU  18           H        GLU  18 -13.032   6.816  -1.003
  351    HA   GLU  18           HA       GLU  18 -15.031   4.785  -1.194
  352   1HB   GLU  18          1HB       GLU  18 -14.477   7.208  -2.913
  353   2HB   GLU  18          2HB       GLU  18 -15.876   6.162  -3.107
  354   1HG   GLU  18          1HG       GLU  18 -15.214   7.723  -0.620
  355   2HG   GLU  18          2HG       GLU  18 -16.371   8.216  -1.855
  356    H    SER  19           H        SER  19 -15.296   3.195  -2.677
  357    HA   SER  19           HA       SER  19 -13.087   2.096  -3.966
  358   1HB   SER  19          1HB       SER  19 -15.056   0.767  -3.406
  359   2HB   SER  19          2HB       SER  19 -16.028   1.682  -4.559
  360    HG   SER  19           HG       SER  19 -14.461   0.903  -6.171
  361    H    SER  20           H        SER  20 -15.555   4.301  -5.160
  362    HA   SER  20           HA       SER  20 -14.971   4.169  -7.894
  363   1HB   SER  20          1HB       SER  20 -16.983   5.268  -7.022
  364   2HB   SER  20          2HB       SER  20 -15.990   6.527  -6.288
  365    HG   SER  20           HG       SER  20 -16.273   5.968  -9.056
  366    H    ASP  21           H        ASP  21 -13.667   6.301  -5.368
  367    HA   ASP  21           HA       ASP  21 -12.016   7.847  -7.025
  368   1HB   ASP  21          1HB       ASP  21 -11.677   7.121  -4.108
  369   2HB   ASP  21          2HB       ASP  21 -10.765   8.377  -4.941
  370    H    THR  22           H        THR  22  -9.960   7.622  -7.762
  371    HA   THR  22           HA       THR  22  -8.932   4.990  -8.061
  372    HB   THR  22           HB       THR  22  -7.041   6.063  -9.215
  373    HG1  THR  22           HG1      THR  22  -7.077   7.972  -7.772
  374   1HG2  THR  22          1HG2      THR  22  -8.758   5.747 -10.717
  375   2HG2  THR  22          2HG2      THR  22  -8.543   7.494 -10.826
  376   3HG2  THR  22          3HG2      THR  22  -9.854   6.826  -9.854
  377    H    ILE  23           H        ILE  23  -6.101   5.690  -7.870
  378    HA   ILE  23           HA       ILE  23  -5.725   5.055  -5.070
  379    HB   ILE  23           HB       ILE  23  -3.655   5.364  -7.248
  380   1HG1  ILE  23          1HG1      ILE  23  -5.262   3.591  -7.784
  381   2HG1  ILE  23          2HG1      ILE  23  -3.692   2.911  -7.375
  382   1HG2  ILE  23          1HG2      ILE  23  -2.451   3.753  -5.573
  383   2HG2  ILE  23          2HG2      ILE  23  -3.551   4.481  -4.402
  384   3HG2  ILE  23          3HG2      ILE  23  -2.430   5.497  -5.309
  385   1HD1  ILE  23          1HD1      ILE  23  -5.484   1.610  -6.397
  386   2HD1  ILE  23          2HD1      ILE  23  -6.091   3.041  -5.564
  387   3HD1  ILE  23          3HD1      ILE  23  -4.515   2.374  -5.137
  388    H    ASP  24           H        ASP  24  -4.891   7.656  -7.313
  389    HA   ASP  24           HA       ASP  24  -3.186   9.167  -5.778
  390   1HB   ASP  24          1HB       ASP  24  -3.734   9.708  -8.105
  391   2HB   ASP  24          2HB       ASP  24  -5.359  10.186  -7.620
  392    H    ASN  25           H        ASN  25  -6.733   9.179  -5.713
  393    HA   ASN  25           HA       ASN  25  -7.082  11.271  -3.893
  394   1HB   ASN  25          1HB       ASN  25  -8.951  10.351  -5.154
  395   2HB   ASN  25          2HB       ASN  25  -8.779   8.802  -4.333
  396   1HD2  ASN  25          1HD2      ASN  25 -10.206   8.480  -2.803
  397   2HD2  ASN  25          2HD2      ASN  25 -10.940   9.691  -1.812
  398    H    VAL  26           H        VAL  26  -6.646   7.797  -3.360
  399    HA   VAL  26           HA       VAL  26  -6.967   7.772  -0.580
  400    HB   VAL  26           HB       VAL  26  -5.128   5.996  -2.194
  401   1HG1  VAL  26          1HG1      VAL  26  -4.717   5.787   0.166
  402   2HG1  VAL  26          2HG1      VAL  26  -5.593   4.361  -0.388
  403   3HG1  VAL  26          3HG1      VAL  26  -6.443   5.630   0.494
  404   1HG2  VAL  26          1HG2      VAL  26  -6.894   4.683  -2.813
  405   2HG2  VAL  26          2HG2      VAL  26  -7.684   6.260  -2.810
  406   3HG2  VAL  26          3HG2      VAL  26  -7.883   5.171  -1.437
  407    H    LYS  27           H        LYS  27  -4.076   8.249  -2.577
  408    HA   LYS  27           HA       LYS  27  -2.204   8.393  -0.496
  409   1HB   LYS  27          1HB       LYS  27  -2.205   9.636  -3.248
  410   2HB   LYS  27          2HB       LYS  27  -0.826   9.699  -2.160
  411   1HG   LYS  27          1HG       LYS  27  -2.099   7.163  -3.167
  412   2HG   LYS  27          2HG       LYS  27  -0.659   7.916  -3.856
  413   1HD   LYS  27          1HD       LYS  27   0.495   7.665  -1.709
  414   2HD   LYS  27          2HD       LYS  27  -0.946   6.912  -1.022
  415   1HE   LYS  27          1HE       LYS  27   0.689   5.853  -3.326
  416   2HE   LYS  27          2HE       LYS  27   0.705   5.236  -1.674
  417   1HZ   LYS  27          1HZ       LYS  27  -0.845   3.839  -2.438
  418   2HZ   LYS  27          2HZ       LYS  27  -1.208   4.792  -3.786
  419   3HZ   LYS  27          3HZ       LYS  27  -1.910   5.145  -2.289
  420    H    SER  28           H        SER  28  -4.248  10.859  -1.971
  421    HA   SER  28           HA       SER  28  -3.101  13.103  -0.735
  422   1HB   SER  28          1HB       SER  28  -5.976  12.672  -1.587
  423   2HB   SER  28          2HB       SER  28  -5.236  14.233  -1.229
  424    HG   SER  28           HG       SER  28  -4.884  12.550  -3.429
  425    H    LYS  29           H        LYS  29  -5.822  11.038   0.259
  426    HA   LYS  29           HA       LYS  29  -6.400  12.442   2.638
  427   1HB   LYS  29          1HB       LYS  29  -6.904   9.532   1.992
  428   2HB   LYS  29          2HB       LYS  29  -7.670  10.445   3.286
  429   1HG   LYS  29          1HG       LYS  29  -8.645  11.953   1.579
  430   2HG   LYS  29          2HG       LYS  29  -7.964  10.915   0.327
  431   1HD   LYS  29          1HD       LYS  29 -10.213  10.238   0.577
  432   2HD   LYS  29          2HD       LYS  29  -9.246   9.012   1.396
  433   1HE   LYS  29          1HE       LYS  29 -10.618  11.322   2.766
  434   2HE   LYS  29          2HE       LYS  29 -11.270   9.689   2.661
  435   1HZ   LYS  29          1HZ       LYS  29  -9.141  10.732   4.334
  436   2HZ   LYS  29          2HZ       LYS  29  -8.861   9.199   3.678
  437   3HZ   LYS  29          3HZ       LYS  29 -10.233   9.474   4.629
  438    H    ILE  30           H        ILE  30  -4.439   9.531   2.051
  439    HA   ILE  30           HA       ILE  30  -3.694   9.052   4.710
  440    HB   ILE  30           HB       ILE  30  -2.123   8.455   2.193
  441   1HG1  ILE  30          1HG1      ILE  30  -4.023   6.720   3.790
  442   2HG1  ILE  30          2HG1      ILE  30  -4.387   7.460   2.235
  443   1HG2  ILE  30          1HG2      ILE  30  -1.787   7.590   5.046
  444   2HG2  ILE  30          2HG2      ILE  30  -0.583   8.245   3.936
  445   3HG2  ILE  30          3HG2      ILE  30  -1.190   6.605   3.710
  446   1HD1  ILE  30          1HD1      ILE  30  -2.835   5.060   2.867
  447   2HD1  ILE  30          2HD1      ILE  30  -2.117   6.110   1.644
  448   3HD1  ILE  30          3HD1      ILE  30  -3.749   5.480   1.418
  449    H    GLN  31           H        GLN  31  -2.235  11.073   2.208
  450    HA   GLN  31           HA       GLN  31   0.092  11.788   3.614
  451   1HB   GLN  31          1HB       GLN  31  -0.099  12.185   1.229
  452   2HB   GLN  31          2HB       GLN  31  -1.446  13.286   1.484
  453   1HG   GLN  31          1HG       GLN  31   0.070  14.795   2.720
  454   2HG   GLN  31          2HG       GLN  31   1.407  13.710   2.342
  455   1HE2  GLN  31          1HE2      GLN  31   2.614  14.474   0.775
  456   2HE2  GLN  31          2HE2      GLN  31   2.061  15.326  -0.622
  457    H    ASP  32           H        ASP  32  -3.133  13.217   3.487
  458    HA   ASP  32           HA       ASP  32  -2.581  15.527   4.981
  459   1HB   ASP  32          1HB       ASP  32  -4.631  15.255   3.667
  460   2HB   ASP  32          2HB       ASP  32  -5.167  13.973   4.749
  461    H    LYS  33           H        LYS  33  -3.666  12.299   5.996
  462    HA   LYS  33           HA       LYS  33  -3.791  13.053   8.772
  463   1HB   LYS  33          1HB       LYS  33  -5.270  11.328   7.767
  464   2HB   LYS  33          2HB       LYS  33  -3.865  10.296   7.541
  465   1HG   LYS  33          1HG       LYS  33  -3.516  10.202   9.943
  466   2HG   LYS  33          2HG       LYS  33  -4.885  11.286  10.196
  467   1HD   LYS  33          1HD       LYS  33  -5.040   8.566   8.898
  468   2HD   LYS  33          2HD       LYS  33  -5.466   8.916  10.574
  469   1HE   LYS  33          1HE       LYS  33  -6.773  10.098   8.125
  470   2HE   LYS  33          2HE       LYS  33  -7.451   8.833   9.150
  471   1HZ   LYS  33          1HZ       LYS  33  -7.448  11.663   9.526
  472   2HZ   LYS  33          2HZ       LYS  33  -6.832  10.856  10.879
  473   3HZ   LYS  33          3HZ       LYS  33  -8.375  10.478  10.299
  474    H    GLU  34           H        GLU  34  -1.842  10.572   7.104
  475    HA   GLU  34           HA       GLU  34  -0.035  10.253   9.252
  476   1HB   GLU  34          1HB       GLU  34   0.246   9.485   6.345
  477   2HB   GLU  34          2HB       GLU  34   1.312   8.945   7.635
  478   1HG   GLU  34          1HG       GLU  34  -1.646   8.400   7.511
  479   2HG   GLU  34          2HG       GLU  34  -0.389   7.277   6.996
  480    H    GLY  35           H        GLY  35   0.173  12.128   6.242
  481   1HA   GLY  35          1HA       GLY  35   1.431  14.072   5.918
  482   2HA   GLY  35          2HA       GLY  35   2.226  13.788   7.459
  483    H    ILE  36           H        ILE  36   1.923  11.908   4.448
  484    HA   ILE  36           HA       ILE  36   4.847  11.936   4.197
  485    HB   ILE  36           HB       ILE  36   3.142   9.447   3.984
  486   1HG1  ILE  36          1HG1      ILE  36   5.277  10.206   5.994
  487   2HG1  ILE  36          2HG1      ILE  36   3.546  10.170   6.310
  488   1HG2  ILE  36          1HG2      ILE  36   5.380   9.966   2.553
  489   2HG2  ILE  36          2HG2      ILE  36   4.872   8.352   3.051
  490   3HG2  ILE  36          3HG2      ILE  36   6.073   9.229   3.998
  491   1HD1  ILE  36          1HD1      ILE  36   5.001   7.725   5.383
  492   2HD1  ILE  36          2HD1      ILE  36   3.460   7.848   6.232
  493   3HD1  ILE  36          3HD1      ILE  36   4.967   8.192   7.083
  494    HA   PRO  37           HA       PRO  37   3.930  13.136   0.018
  495   1HB   PRO  37          1HB       PRO  37   6.443  11.642  -0.567
  496   2HB   PRO  37          2HB       PRO  37   5.982  13.288  -1.015
  497   1HG   PRO  37          1HG       PRO  37   7.727  12.858   0.947
  498   2HG   PRO  37          2HG       PRO  37   6.515  14.147   1.075
  499   1HD   PRO  37          1HD       PRO  37   6.587  11.470   2.394
  500   2HD   PRO  37          2HD       PRO  37   6.001  13.024   3.021
  501    HA   PRO  38           HA       PRO  38   1.898   9.465  -1.523
  502   1HB   PRO  38          1HB       PRO  38   1.783  10.994  -4.058
  503   2HB   PRO  38          2HB       PRO  38   0.471  10.288  -3.110
  504   1HG   PRO  38          1HG       PRO  38   0.870  12.928  -3.158
  505   2HG   PRO  38          2HG       PRO  38   0.354  12.102  -1.676
  506   1HD   PRO  38          1HD       PRO  38   3.067  13.102  -2.443
  507   2HD   PRO  38          2HD       PRO  38   2.250  13.154  -0.867
  508    H    ASP  39           H        ASP  39   4.233  11.152  -3.610
  509    HA   ASP  39           HA       ASP  39   4.812   8.997  -5.302
  510   1HB   ASP  39          1HB       ASP  39   6.867  10.242  -5.874
  511   2HB   ASP  39          2HB       ASP  39   5.448  11.284  -5.861
  512    H    GLN  40           H        GLN  40   6.332  10.035  -2.274
  513    HA   GLN  40           HA       GLN  40   8.443   8.186  -2.283
  514   1HB   GLN  40          1HB       GLN  40   8.436  10.112  -0.803
  515   2HB   GLN  40          2HB       GLN  40   7.020   9.499   0.038
  516   1HG   GLN  40          1HG       GLN  40   8.325   7.575   0.812
  517   2HG   GLN  40          2HG       GLN  40   9.745   8.222  -0.008
  518   1HE2  GLN  40          1HE2      GLN  40  11.096   9.194   1.303
  519   2HE2  GLN  40          2HE2      GLN  40  10.685  10.084   2.725
  520    H    GLN  41           H        GLN  41   5.506   8.027  -0.246
  521    HA   GLN  41           HA       GLN  41   5.901   5.314   0.436
  522   1HB   GLN  41          1HB       GLN  41   3.666   5.402   1.396
  523   2HB   GLN  41          2HB       GLN  41   4.574   6.847   1.817
  524   1HG   GLN  41          1HG       GLN  41   3.398   8.090   0.066
  525   2HG   GLN  41          2HG       GLN  41   2.481   6.638  -0.335
  526   1HE2  GLN  41          1HE2      GLN  41   0.522   6.622   0.474
  527   2HE2  GLN  41          2HE2      GLN  41   0.020   7.341   1.962
  528    H    ARG  42           H        ARG  42   4.941   3.439  -0.292
  529    HA   ARG  42           HA       ARG  42   3.273   3.610  -2.695
  530   1HB   ARG  42          1HB       ARG  42   5.552   3.311  -3.505
  531   2HB   ARG  42          2HB       ARG  42   5.773   1.928  -2.443
  532   1HG   ARG  42          1HG       ARG  42   4.089   0.686  -3.675
  533   2HG   ARG  42          2HG       ARG  42   3.803   2.080  -4.718
  534   1HD   ARG  42          1HD       ARG  42   6.392   0.551  -4.462
  535   2HD   ARG  42          2HD       ARG  42   5.253   0.442  -5.803
  536    HE   ARG  42           HE       ARG  42   7.274   2.378  -5.482
  537   1HH1  ARG  42          1HH1      ARG  42   3.960   2.065  -6.519
  538   2HH1  ARG  42          2HH1      ARG  42   4.024   3.443  -7.566
  539   1HH2  ARG  42          1HH2      ARG  42   7.363   4.194  -6.856
  540   2HH2  ARG  42          2HH2      ARG  42   5.956   4.654  -7.755
  541    H    LEU  43           H        LEU  43   1.576   2.312  -2.592
  542    HA   LEU  43           HA       LEU  43   1.338   0.450  -0.389
  543   1HB   LEU  43          1HB       LEU  43  -0.622   1.323  -2.508
  544   2HB   LEU  43          2HB       LEU  43  -1.005   0.189  -1.228
  545    HG   LEU  43           HG       LEU  43  -0.207   3.076  -0.841
  546   1HD1  LEU  43          1HD1      LEU  43  -2.370   3.263  -1.546
  547   2HD1  LEU  43          2HD1      LEU  43  -2.635   2.980   0.175
  548   3HD1  LEU  43          3HD1      LEU  43  -2.814   1.655  -0.974
  549   1HD2  LEU  43          1HD2      LEU  43   0.067   0.940   0.928
  550   2HD2  LEU  43          2HD2      LEU  43  -1.411   1.762   1.427
  551   3HD2  LEU  43          3HD2      LEU  43   0.104   2.659   1.320
  552    H    ILE  44           H        ILE  44   1.040  -1.744  -0.533
  553    HA   ILE  44           HA       ILE  44   1.286  -2.992  -3.178
  554    HB   ILE  44           HB       ILE  44   2.890  -3.856  -0.765
  555   1HG1  ILE  44          1HG1      ILE  44   3.801  -2.533  -3.331
  556   2HG1  ILE  44          2HG1      ILE  44   3.745  -1.763  -1.749
  557   1HG2  ILE  44          1HG2      ILE  44   3.516  -5.702  -1.899
  558   2HG2  ILE  44          2HG2      ILE  44   3.516  -4.873  -3.457
  559   3HG2  ILE  44          3HG2      ILE  44   1.998  -5.437  -2.757
  560   1HD1  ILE  44          1HD1      ILE  44   5.323  -4.257  -2.021
  561   2HD1  ILE  44          2HD1      ILE  44   5.601  -2.841  -1.007
  562   3HD1  ILE  44          3HD1      ILE  44   5.967  -2.777  -2.731
  563    H    PHE  45           H        PHE  45   0.136  -4.850  -3.432
  564    HA   PHE  45           HA       PHE  45  -0.916  -6.336  -1.214
  565   1HB   PHE  45          1HB       PHE  45  -2.457  -4.386  -1.283
  566   2HB   PHE  45          2HB       PHE  45  -2.856  -4.786  -2.949
  567    HD1  PHE  45           HD1      PHE  45  -2.597  -6.714   0.244
  568    HD2  PHE  45           HD2      PHE  45  -4.943  -5.693  -3.156
  569    HE1  PHE  45           HE1      PHE  45  -4.391  -8.197   1.041
  570    HE2  PHE  45           HE2      PHE  45  -6.740  -7.175  -2.366
  571    HZ   PHE  45           HZ       PHE  45  -6.466  -8.429  -0.264
  572    H    ALA  46           H        ALA  46  -1.803  -8.319  -1.842
  573    HA   ALA  46           HA       ALA  46  -1.872 -10.204  -3.124
  574   1HB   ALA  46          1HB       ALA  46  -3.790  -9.707  -4.190
  575   2HB   ALA  46          2HB       ALA  46  -2.743  -9.499  -5.594
  576   3HB   ALA  46          3HB       ALA  46  -3.238  -8.095  -4.648
  577    H    GLY  47           H        GLY  47   0.643  -8.896  -2.999
  578   1HA   GLY  47          1HA       GLY  47   2.724  -9.019  -3.948
  579   2HA   GLY  47          2HA       GLY  47   2.064 -10.277  -4.979
  580    H    LYS  48           H        LYS  48   1.084  -6.870  -4.816
  581    HA   LYS  48           HA       LYS  48   2.507  -6.144  -7.190
  582   1HB   LYS  48          1HB       LYS  48   0.727  -7.492  -8.198
  583   2HB   LYS  48          2HB       LYS  48  -0.486  -6.528  -7.366
  584   1HG   LYS  48          1HG       LYS  48   0.254  -4.551  -8.615
  585   2HG   LYS  48          2HG       LYS  48   1.418  -5.553  -9.481
  586   1HD   LYS  48          1HD       LYS  48  -0.482  -5.323 -10.893
  587   2HD   LYS  48          2HD       LYS  48  -0.521  -6.963 -10.245
  588   1HE   LYS  48          1HE       LYS  48  -2.080  -4.645  -9.111
  589   2HE   LYS  48          2HE       LYS  48  -2.734  -5.813 -10.257
  590   1HZ   LYS  48          1HZ       LYS  48  -3.393  -6.679  -8.252
  591   2HZ   LYS  48          2HZ       LYS  48  -1.992  -6.194  -7.437
  592   3HZ   LYS  48          3HZ       LYS  48  -1.943  -7.516  -8.492
  593    H    GLN  49           H        GLN  49   2.807  -3.987  -7.204
  594    HA   GLN  49           HA       GLN  49   1.822  -2.385  -5.103
  595   1HB   GLN  49          1HB       GLN  49   2.975  -0.560  -6.109
  596   2HB   GLN  49          2HB       GLN  49   3.960  -1.989  -6.371
  597   1HG   GLN  49          1HG       GLN  49   2.107  -0.801  -8.421
  598   2HG   GLN  49          2HG       GLN  49   3.831  -0.463  -8.317
  599   1HE2  GLN  49          1HE2      GLN  49   5.121  -1.671  -9.495
  600   2HE2  GLN  49          2HE2      GLN  49   4.737  -3.213 -10.173
  601    H    LEU  50           H        LEU  50   0.112  -1.039  -4.948
  602    HA   LEU  50           HA       LEU  50  -1.999  -1.346  -6.861
  603   1HB   LEU  50          1HB       LEU  50  -1.743   0.250  -4.323
  604   2HB   LEU  50          2HB       LEU  50  -3.181   0.301  -5.324
  605    HG   LEU  50           HG       LEU  50  -3.494  -2.122  -4.986
  606   1HD1  LEU  50          1HD1      LEU  50  -0.850  -1.871  -3.760
  607   2HD1  LEU  50          2HD1      LEU  50  -1.649  -3.276  -4.467
  608   3HD1  LEU  50          3HD1      LEU  50  -2.008  -2.798  -2.807
  609   1HD2  LEU  50          1HD2      LEU  50  -4.326  -0.224  -3.410
  610   2HD2  LEU  50          2HD2      LEU  50  -3.182  -0.929  -2.269
  611   3HD2  LEU  50          3HD2      LEU  50  -4.494  -1.910  -2.922
  612    H    GLU  51           H        GLU  51   0.386  -0.009  -7.867
  613    HA   GLU  51           HA       GLU  51   1.059   1.873  -8.995
  614   1HB   GLU  51          1HB       GLU  51  -1.864   1.752  -9.716
  615   2HB   GLU  51          2HB       GLU  51  -0.627   2.600 -10.635
  616   1HG   GLU  51          1HG       GLU  51   0.503   0.480 -11.065
  617   2HG   GLU  51          2HG       GLU  51  -0.740  -0.366 -10.146
  618    H    ASP  52           H        ASP  52  -0.826   4.046  -9.710
  619    HA   ASP  52           HA       ASP  52  -1.556   5.340  -7.254
  620   1HB   ASP  52          1HB       ASP  52   0.921   5.680  -7.344
  621   2HB   ASP  52          2HB       ASP  52   0.709   6.533  -8.869
  622    H    GLY  53           H        GLY  53  -3.090   4.649  -9.408
  623   1HA   GLY  53          1HA       GLY  53  -4.451   6.990 -10.029
  624   2HA   GLY  53          2HA       GLY  53  -3.350   6.688 -11.364
  625    H    ARG  54           H        ARG  54  -5.279   4.475  -9.350
  626    HA   ARG  54           HA       ARG  54  -6.918   3.783 -11.657
  627   1HB   ARG  54          1HB       ARG  54  -5.168   1.817 -10.181
  628   2HB   ARG  54          2HB       ARG  54  -6.520   1.331 -11.191
  629   1HG   ARG  54          1HG       ARG  54  -4.106   2.874 -12.118
  630   2HG   ARG  54          2HG       ARG  54  -4.394   1.152 -12.372
  631   1HD   ARG  54          1HD       ARG  54  -6.419   1.695 -13.653
  632   2HD   ARG  54          2HD       ARG  54  -6.097   3.413 -13.419
  633    HE   ARG  54           HE       ARG  54  -3.842   2.232 -14.590
  634   1HH1  ARG  54          1HH1      ARG  54  -7.151   3.005 -15.372
  635   2HH1  ARG  54          2HH1      ARG  54  -6.842   3.186 -17.066
  636   1HH2  ARG  54          1HH2      ARG  54  -3.429   2.469 -16.820
  637   2HH2  ARG  54          2HH2      ARG  54  -4.727   2.882 -17.890
  638    H    THR  55           H        THR  55  -8.940   3.099 -11.144
  639    HA   THR  55           HA       THR  55 -10.007   3.727  -8.637
  640    HB   THR  55           HB       THR  55 -12.072   2.644  -9.408
  641    HG1  THR  55           HG1      THR  55 -10.795   1.944 -11.824
  642   1HG2  THR  55          1HG2      THR  55 -11.237   4.915 -10.269
  643   2HG2  THR  55          2HG2      THR  55 -12.529   4.122 -11.171
  644   3HG2  THR  55          3HG2      THR  55 -10.871   4.062 -11.769
  645    H    LEU  56           H        LEU  56 -10.475   2.580  -6.839
  646    HA   LEU  56           HA       LEU  56  -9.036   0.231  -6.260
  647   1HB   LEU  56          1HB       LEU  56 -11.423   1.393  -4.822
  648   2HB   LEU  56          2HB       LEU  56 -10.336   0.181  -4.173
  649    HG   LEU  56           HG       LEU  56  -9.595   3.026  -4.866
  650   1HD1  LEU  56          1HD1      LEU  56  -9.112   2.565  -2.188
  651   2HD1  LEU  56          2HD1      LEU  56 -10.655   1.763  -2.479
  652   3HD1  LEU  56          3HD1      LEU  56 -10.464   3.473  -2.865
  653   1HD2  LEU  56          1HD2      LEU  56  -7.439   2.529  -3.889
  654   2HD2  LEU  56          2HD2      LEU  56  -7.754   1.424  -5.227
  655   3HD2  LEU  56          3HD2      LEU  56  -7.937   0.869  -3.564
  656    H    SER  57           H        SER  57 -12.354   0.778  -7.284
  657    HA   SER  57           HA       SER  57 -13.514  -1.660  -6.747
  658   1HB   SER  57          1HB       SER  57 -15.035  -1.191  -8.637
  659   2HB   SER  57          2HB       SER  57 -14.775   0.236  -7.634
  660    HG   SER  57           HG       SER  57 -12.958   0.029  -9.655
  661    H    ASP  58           H        ASP  58 -11.476  -0.778  -9.500
  662    HA   ASP  58           HA       ASP  58 -11.788  -3.091 -11.025
  663   1HB   ASP  58          1HB       ASP  58 -10.653  -1.052 -11.829
  664   2HB   ASP  58          2HB       ASP  58  -9.311  -1.375 -10.737
  665    H    TYR  59           H        TYR  59  -9.481  -2.370  -8.434
  666    HA   TYR  59           HA       TYR  59  -8.136  -4.871  -8.598
  667   1HB   TYR  59          1HB       TYR  59  -8.225  -2.826  -6.371
  668   2HB   TYR  59          2HB       TYR  59  -7.152  -4.219  -6.403
  669    HD1  TYR  59           HD1      TYR  59  -4.984  -3.730  -6.966
  670    HD2  TYR  59           HD2      TYR  59  -8.102  -1.474  -8.776
  671    HE1  TYR  59           HE1      TYR  59  -3.310  -2.417  -8.198
  672    HE2  TYR  59           HE2      TYR  59  -6.439  -0.157 -10.016
  673    HH   TYR  59           HH       TYR  59  -3.723   0.381  -9.448
  674    H    ASN  60           H        ASN  60 -10.980  -3.752  -6.946
  675    HA   ASN  60           HA       ASN  60 -12.554  -4.816  -5.698
  676   1HB   ASN  60          1HB       ASN  60 -11.125  -7.299  -6.677
  677   2HB   ASN  60          2HB       ASN  60 -12.644  -7.314  -5.787
  678   1HD2  ASN  60          1HD2      ASN  60 -14.350  -7.541  -7.014
  679   2HD2  ASN  60          2HD2      ASN  60 -14.528  -6.983  -8.640
  680    H    ILE  61           H        ILE  61 -10.433  -3.745  -4.369
  681    HA   ILE  61           HA       ILE  61  -9.029  -5.416  -2.627
  682    HB   ILE  61           HB       ILE  61  -9.956  -2.587  -2.116
  683   1HG1  ILE  61          1HG1      ILE  61  -7.373  -3.619  -3.313
  684   2HG1  ILE  61          2HG1      ILE  61  -8.668  -2.834  -4.210
  685   1HG2  ILE  61          1HG2      ILE  61  -8.529  -4.454  -0.485
  686   2HG2  ILE  61          2HG2      ILE  61  -9.015  -2.799  -0.118
  687   3HG2  ILE  61          3HG2      ILE  61  -7.469  -3.110  -0.908
  688   1HD1  ILE  61          1HD1      ILE  61  -6.676  -1.409  -3.623
  689   2HD1  ILE  61          2HD1      ILE  61  -7.226  -1.491  -1.949
  690   3HD1  ILE  61          3HD1      ILE  61  -8.255  -0.760  -3.181
  691    H    GLN  62           H        GLN  62  -9.482  -6.369  -0.730
  692    HA   GLN  62           HA       GLN  62 -12.186  -6.770   0.031
  693   1HB   GLN  62          1HB       GLN  62  -9.662  -7.427   1.561
  694   2HB   GLN  62          2HB       GLN  62 -11.262  -8.087   1.875
  695   1HG   GLN  62          1HG       GLN  62  -9.661  -8.494  -0.643
  696   2HG   GLN  62          2HG       GLN  62  -9.833  -9.659   0.669
  697   1HE2  GLN  62          1HE2      GLN  62 -11.229 -11.198   0.255
  698   2HE2  GLN  62          2HE2      GLN  62 -12.655 -11.059  -0.709
  699    H    LYS  63           H        LYS  63 -13.341  -6.012   1.790
  700    HA   LYS  63           HA       LYS  63 -12.844  -3.396   2.653
  701   1HB   LYS  63          1HB       LYS  63 -15.083  -4.403   2.563
  702   2HB   LYS  63          2HB       LYS  63 -14.645  -5.499   3.867
  703   1HG   LYS  63          1HG       LYS  63 -14.369  -3.621   5.374
  704   2HG   LYS  63          2HG       LYS  63 -14.764  -2.503   4.069
  705   1HD   LYS  63          1HD       LYS  63 -16.990  -3.514   3.884
  706   2HD   LYS  63          2HD       LYS  63 -16.592  -4.626   5.195
  707   1HE   LYS  63          1HE       LYS  63 -17.931  -2.735   5.989
  708   2HE   LYS  63          2HE       LYS  63 -16.331  -2.756   6.728
  709   1HZ   LYS  63          1HZ       LYS  63 -17.096  -0.532   5.969
  710   2HZ   LYS  63          2HZ       LYS  63 -17.028  -1.090   4.375
  711   3HZ   LYS  63          3HZ       LYS  63 -15.617  -1.013   5.302
  712    H    GLU  64           H        GLU  64 -11.845  -2.554   4.392
  713    HA   GLU  64           HA       GLU  64 -10.459  -2.382   6.181
  714   1HB   GLU  64          1HB       GLU  64 -11.919  -4.885   7.035
  715   2HB   GLU  64          2HB       GLU  64 -10.874  -3.931   8.078
  716   1HG   GLU  64          1HG       GLU  64 -12.360  -2.006   7.793
  717   2HG   GLU  64          2HG       GLU  64 -13.415  -2.982   6.773
  718    H    SER  65           H        SER  65  -9.374  -3.629   3.909
  719    HA   SER  65           HA       SER  65  -7.773  -5.862   4.877
  720   1HB   SER  65          1HB       SER  65  -6.925  -5.979   2.568
  721   2HB   SER  65          2HB       SER  65  -8.688  -5.991   2.604
  722    HG   SER  65           HG       SER  65  -8.019  -3.478   2.460
  723    H    THR  66           H        THR  66  -5.556  -5.831   5.127
  724    HA   THR  66           HA       THR  66  -4.398  -3.267   5.754
  725    HB   THR  66           HB       THR  66  -3.133  -6.018   5.789
  726    HG1  THR  66           HG1      THR  66  -4.491  -6.146   7.439
  727   1HG2  THR  66          1HG2      THR  66  -1.718  -4.610   7.573
  728   2HG2  THR  66          2HG2      THR  66  -2.141  -3.306   6.462
  729   3HG2  THR  66          3HG2      THR  66  -1.266  -4.719   5.872
  730    H    LEU  67           H        LEU  67  -2.925  -2.132   4.583
  731    HA   LEU  67           HA       LEU  67  -2.095  -3.297   2.005
  732   1HB   LEU  67          1HB       LEU  67  -2.502  -0.377   2.644
  733   2HB   LEU  67          2HB       LEU  67  -2.079  -1.050   1.083
  734    HG   LEU  67           HG       LEU  67  -4.699  -1.426   2.535
  735   1HD1  LEU  67          1HD1      LEU  67  -3.710   0.517   0.618
  736   2HD1  LEU  67          2HD1      LEU  67  -5.171   0.539   1.605
  737   3HD1  LEU  67          3HD1      LEU  67  -5.164  -0.311   0.059
  738   1HD2  LEU  67          1HD2      LEU  67  -4.100  -2.321  -0.265
  739   2HD2  LEU  67          2HD2      LEU  67  -5.442  -2.778   0.786
  740   3HD2  LEU  67          3HD2      LEU  67  -3.817  -3.378   1.118
  741    H    HIS  68           H        HIS  68   0.017  -3.479   1.632
  742    HA   HIS  68           HA       HIS  68   1.910  -2.775   3.645
  743   1HB   HIS  68          1HB       HIS  68   2.329  -3.763   0.817
  744   2HB   HIS  68          2HB       HIS  68   3.578  -3.671   2.054
  745    HD1  HIS  68           HD1      HIS  68   2.714  -5.073   4.377
  746    HD2  HIS  68           HD2      HIS  68   1.339  -6.261   0.640
  747    HE1  HIS  68           HE1      HIS  68   1.953  -7.452   4.666
  748    HE2  HIS  68           HE2      HIS  68   1.054  -8.126   2.411
  749    H    LEU  69           H        LEU  69   3.126  -0.983   3.851
  750    HA   LEU  69           HA       LEU  69   3.125   0.922   1.599
  751   1HB   LEU  69          1HB       LEU  69   1.838   1.595   3.661
  752   2HB   LEU  69          2HB       LEU  69   3.353   1.607   4.529
  753    HG   LEU  69           HG       LEU  69   2.880   3.333   2.107
  754   1HD1  LEU  69          1HD1      LEU  69   1.632   3.542   4.662
  755   2HD1  LEU  69          2HD1      LEU  69   1.519   4.635   3.282
  756   3HD1  LEU  69          3HD1      LEU  69   2.791   4.859   4.483
  757   1HD2  LEU  69          1HD2      LEU  69   4.620   4.690   3.491
  758   2HD2  LEU  69          2HD2      LEU  69   5.146   3.320   2.511
  759   3HD2  LEU  69          3HD2      LEU  69   4.938   3.131   4.252
  760    H    VAL  70           H        VAL  70   5.050   1.705   0.894
  761    HA   VAL  70           HA       VAL  70   7.444   1.176   2.511
  762    HB   VAL  70           HB       VAL  70   7.241   0.585  -0.446
  763   1HG1  VAL  70          1HG1      VAL  70   9.538  -0.417  -0.029
  764   2HG1  VAL  70          2HG1      VAL  70   9.531   0.466   1.500
  765   3HG1  VAL  70          3HG1      VAL  70   9.433   1.346  -0.025
  766   1HG2  VAL  70          1HG2      VAL  70   7.240  -1.185   1.974
  767   2HG2  VAL  70          2HG2      VAL  70   7.816  -1.773   0.412
  768   3HG2  VAL  70          3HG2      VAL  70   6.154  -1.203   0.584
  769    H    LEU  71           H        LEU  71   8.728   2.895   2.665
  770    HA   LEU  71           HA       LEU  71   8.083   5.289   1.182
  771   1HB   LEU  71          1HB       LEU  71  10.251   4.809   3.227
  772   2HB   LEU  71          2HB       LEU  71   9.734   6.370   2.620
  773    HG   LEU  71           HG       LEU  71   8.047   4.480   4.264
  774   1HD1  LEU  71          1HD1      LEU  71   8.578   5.664   6.115
  775   2HD1  LEU  71          2HD1      LEU  71   8.788   7.173   5.226
  776   3HD1  LEU  71          3HD1      LEU  71  10.065   5.956   5.213
  777   1HD2  LEU  71          1HD2      LEU  71   6.768   6.839   4.368
  778   2HD2  LEU  71          2HD2      LEU  71   6.395   5.584   3.186
  779   3HD2  LEU  71          3HD2      LEU  71   7.439   6.934   2.739
  780    H    ARG  72           H        ARG  72   9.056   5.976  -0.601
  781    HA   ARG  72           HA       ARG  72  11.153   4.468  -1.819
  782   1HB   ARG  72          1HB       ARG  72   9.414   5.611  -3.144
  783   2HB   ARG  72          2HB       ARG  72  10.022   7.166  -2.592
  784   1HG   ARG  72          1HG       ARG  72  12.174   6.686  -3.688
  785   2HG   ARG  72          2HG       ARG  72  11.504   5.169  -4.289
  786   1HD   ARG  72          1HD       ARG  72   9.756   6.443  -5.473
  787   2HD   ARG  72          2HD       ARG  72  10.496   7.942  -4.916
  788    HE   ARG  72           HE       ARG  72  11.273   6.446  -7.160
  789   1HH1  ARG  72          1HH1      ARG  72  12.685   8.151  -4.463
  790   2HH1  ARG  72          2HH1      ARG  72  14.162   8.500  -5.296
  791   1HH2  ARG  72          1HH2      ARG  72  13.213   6.904  -8.257
  792   2HH2  ARG  72          2HH2      ARG  72  14.463   7.790  -7.449
  793    H    LEU  73           H        LEU  73  13.305   4.962  -2.063
  794    HA   LEU  73           HA       LEU  73  14.297   7.384  -0.728
  795   1HB   LEU  73          1HB       LEU  73  15.424   4.604  -0.394
  796   2HB   LEU  73          2HB       LEU  73  16.164   6.069   0.221
  797    HG   LEU  73           HG       LEU  73  13.477   4.986   1.078
  798   1HD1  LEU  73          1HD1      LEU  73  15.973   5.123   2.736
  799   2HD1  LEU  73          2HD1      LEU  73  15.594   3.714   1.746
  800   3HD1  LEU  73          3HD1      LEU  73  14.494   4.210   3.033
  801   1HD2  LEU  73          1HD2      LEU  73  14.934   7.506   1.598
  802   2HD2  LEU  73          2HD2      LEU  73  14.168   6.732   2.985
  803   3HD2  LEU  73          3HD2      LEU  73  13.201   7.178   1.579
  804    H    ARG  74           H        ARG  74  15.816   8.461  -1.830
  805    HA   ARG  74           HA       ARG  74  16.455   7.724  -4.488
  806   1HB   ARG  74          1HB       ARG  74  17.773   9.816  -2.746
  807   2HB   ARG  74          2HB       ARG  74  17.880   9.711  -4.498
  808   1HG   ARG  74          1HG       ARG  74  15.435  10.067  -4.626
  809   2HG   ARG  74          2HG       ARG  74  15.411  10.289  -2.876
  810   1HD   ARG  74          1HD       ARG  74  16.917  11.970  -4.877
  811   2HD   ARG  74          2HD       ARG  74  15.456  12.438  -4.010
  812    HE   ARG  74           HE       ARG  74  17.419  11.747  -2.136
  813   1HH1  ARG  74          1HH1      ARG  74  16.761  14.208  -4.515
  814   2HH1  ARG  74          2HH1      ARG  74  17.652  15.436  -3.680
  815   1HH2  ARG  74          1HH2      ARG  74  18.598  13.361  -1.029
  816   2HH2  ARG  74          2HH2      ARG  74  18.699  14.954  -1.701
  817    H    GLY  75           H        GLY  75  18.311   7.683  -1.467
  818   1HA   GLY  75          1HA       GLY  75  20.207   6.532  -0.878
  819   2HA   GLY  75          2HA       GLY  75  19.861   5.454  -2.221
  820    H    GLY  76           H        GLY  76  20.685   8.915  -2.146
  821   1HA   GLY  76          1HA       GLY  76  23.355   8.588  -3.005
  822   2HA   GLY  76          2HA       GLY  76  22.324   8.843  -4.405
  Start of MODEL   20
    1   1H    TYR 255          1H        TYR 255  25.719  -4.304  -3.976
    2   2H    TYR 255          2H        TYR 255  26.502  -2.806  -4.013
    3   3H    TYR 255          3H        TYR 255  25.147  -3.075  -4.989
    4    HA   TYR 255           HA       TYR 255  24.748  -3.483  -2.148
    5   1HB   TYR 255          1HB       TYR 255  26.239  -1.517  -2.211
    6   2HB   TYR 255          2HB       TYR 255  25.152  -0.730  -3.348
    7    HD1  TYR 255           HD1      TYR 255  24.143   1.067  -2.314
    8    HD2  TYR 255           HD2      TYR 255  24.561  -2.568  -0.142
    9    HE1  TYR 255           HE1      TYR 255  22.905   2.055  -0.433
   10    HE2  TYR 255           HE2      TYR 255  23.321  -1.591   1.743
   11    HH   TYR 255           HH       TYR 255  21.408   0.656   1.720
   12    HA   PRO 256           HA       PRO 256  20.723  -3.777  -4.100
   13   1HB   PRO 256          1HB       PRO 256  19.790  -3.587  -1.289
   14   2HB   PRO 256          2HB       PRO 256  19.449  -4.819  -2.509
   15   1HG   PRO 256          1HG       PRO 256  21.106  -5.329  -0.486
   16   2HG   PRO 256          2HG       PRO 256  21.437  -5.947  -2.116
   17   1HD   PRO 256          1HD       PRO 256  22.659  -3.617  -0.687
   18   2HD   PRO 256          2HD       PRO 256  23.431  -4.831  -1.729
   19    H    GLU 257           H        GLU 257  19.338  -2.269  -4.817
   20    HA   GLU 257           HA       GLU 257  19.660   0.446  -4.218
   21   1HB   GLU 257          1HB       GLU 257  17.366  -1.015  -5.534
   22   2HB   GLU 257          2HB       GLU 257  17.481   0.736  -5.449
   23   1HG   GLU 257          1HG       GLU 257  18.223  -0.065  -7.604
   24   2HG   GLU 257          2HG       GLU 257  19.562   0.666  -6.723
   25    H    ASP 258           H        ASP 258  18.675   1.830  -2.839
   26    HA   ASP 258           HA       ASP 258  17.488   0.835  -0.492
   27   1HB   ASP 258          1HB       ASP 258  17.456   3.653  -1.596
   28   2HB   ASP 258          2HB       ASP 258  17.060   3.201   0.060
   29    H    GLU 259           H        GLU 259  16.081   2.412  -3.338
   30    HA   GLU 259           HA       GLU 259  13.436   2.527  -2.391
   31   1HB   GLU 259          1HB       GLU 259  14.187   3.863  -4.275
   32   2HB   GLU 259          2HB       GLU 259  14.500   2.412  -5.216
   33   1HG   GLU 259          1HG       GLU 259  12.102   1.880  -5.148
   34   2HG   GLU 259          2HG       GLU 259  11.817   3.382  -4.270
   35    H    GLU 260           H        GLU 260  15.019   0.174  -4.547
   36    HA   GLU 260           HA       GLU 260  12.784  -1.496  -4.865
   37   1HB   GLU 260          1HB       GLU 260  14.710  -1.590  -6.362
   38   2HB   GLU 260          2HB       GLU 260  15.722  -2.176  -5.049
   39   1HG   GLU 260          1HG       GLU 260  15.110  -4.005  -6.478
   40   2HG   GLU 260          2HG       GLU 260  14.337  -4.199  -4.906
   41    H    GLU 261           H        GLU 261  15.422  -1.559  -2.507
   42    HA   GLU 261           HA       GLU 261  14.864  -4.007  -1.304
   43   1HB   GLU 261          1HB       GLU 261  16.897  -2.701  -0.857
   44   2HB   GLU 261          2HB       GLU 261  15.939  -1.499  -0.003
   45   1HG   GLU 261          1HG       GLU 261  15.321  -3.173   1.665
   46   2HG   GLU 261          2HG       GLU 261  16.281  -4.378   0.808
   47    H    LEU 262           H        LEU 262  13.552  -0.790  -0.602
   48    HA   LEU 262           HA       LEU 262  11.990  -1.597   1.621
   49   1HB   LEU 262          1HB       LEU 262  11.737   0.773  -0.230
   50   2HB   LEU 262          2HB       LEU 262  10.791   0.563   1.233
   51    HG   LEU 262           HG       LEU 262  13.803   0.759   1.163
   52   1HD1  LEU 262          1HD1      LEU 262  13.612   3.002   1.859
   53   2HD1  LEU 262          2HD1      LEU 262  11.874   2.855   2.120
   54   3HD1  LEU 262          3HD1      LEU 262  12.523   2.835   0.481
   55   1HD2  LEU 262          1HD2      LEU 262  13.338  -0.380   3.112
   56   2HD2  LEU 262          2HD2      LEU 262  11.772   0.405   3.326
   57   3HD2  LEU 262          3HD2      LEU 262  13.258   1.294   3.660
   58    H    ILE 263           H        ILE 263  11.184  -1.077  -1.806
   59    HA   ILE 263           HA       ILE 263   8.456  -1.636  -1.655
   60    HB   ILE 263           HB       ILE 263  10.451  -1.932  -3.866
   61   1HG1  ILE 263          1HG1      ILE 263   8.080  -0.103  -3.488
   62   2HG1  ILE 263          2HG1      ILE 263   9.764   0.330  -3.209
   63   1HG2  ILE 263          1HG2      ILE 263   8.308  -2.194  -5.323
   64   2HG2  ILE 263          2HG2      ILE 263   7.606  -2.833  -3.837
   65   3HG2  ILE 263          3HG2      ILE 263   9.020  -3.610  -4.549
   66   1HD1  ILE 263          1HD1      ILE 263   8.244   0.228  -5.682
   67   2HD1  ILE 263          2HD1      ILE 263   9.798  -0.599  -5.787
   68   3HD1  ILE 263          3HD1      ILE 263   9.731   1.094  -5.296
   69    H    ARG 264           H        ARG 264  11.115  -3.867  -2.512
   70    HA   ARG 264           HA       ARG 264   9.511  -6.166  -2.652
   71   1HB   ARG 264          1HB       ARG 264  11.560  -7.445  -2.546
   72   2HB   ARG 264          2HB       ARG 264  11.782  -6.052  -3.594
   73   1HG   ARG 264          1HG       ARG 264  12.950  -4.880  -1.803
   74   2HG   ARG 264          2HG       ARG 264  12.714  -6.266  -0.740
   75   1HD   ARG 264          1HD       ARG 264  14.244  -6.314  -3.339
   76   2HD   ARG 264          2HD       ARG 264  14.974  -6.181  -1.742
   77    HE   ARG 264           HE       ARG 264  14.577  -8.425  -1.392
   78   1HH1  ARG 264          1HH1      ARG 264  13.013  -7.400  -4.341
   79   2HH1  ARG 264          2HH1      ARG 264  12.599  -9.010  -4.826
   80   1HH2  ARG 264          1HH2      ARG 264  14.033 -10.538  -2.029
   81   2HH2  ARG 264          2HH2      ARG 264  13.177 -10.792  -3.513
   82    H    LYS 265           H        LYS 265  11.089  -4.556   0.027
   83    HA   LYS 265           HA       LYS 265  10.956  -6.549   1.969
   84   1HB   LYS 265          1HB       LYS 265  12.058  -4.349   2.288
   85   2HB   LYS 265          2HB       LYS 265  10.476  -3.583   2.335
   86   1HG   LYS 265          1HG       LYS 265   9.921  -4.855   4.350
   87   2HG   LYS 265          2HG       LYS 265  11.517  -5.608   4.305
   88   1HD   LYS 265          1HD       LYS 265  10.977  -2.650   4.580
   89   2HD   LYS 265          2HD       LYS 265  11.429  -3.735   5.895
   90   1HE   LYS 265          1HE       LYS 265  13.551  -4.209   4.780
   91   2HE   LYS 265          2HE       LYS 265  13.096  -3.146   3.450
   92   1HZ   LYS 265          1HZ       LYS 265  12.863  -1.393   5.304
   93   2HZ   LYS 265          2HZ       LYS 265  14.411  -1.803   4.760
   94   3HZ   LYS 265          3HZ       LYS 265  13.830  -2.442   6.214
   95    H    ALA 266           H        ALA 266   8.580  -4.108   1.019
   96    HA   ALA 266           HA       ALA 266   6.520  -4.987   2.752
   97   1HB   ALA 266          1HB       ALA 266   5.110  -3.488   1.612
   98   2HB   ALA 266          2HB       ALA 266   6.061  -3.586   0.130
   99   3HB   ALA 266          3HB       ALA 266   6.708  -2.742   1.539
  100    H    ILE 267           H        ILE 267   7.577  -5.884  -0.462
  101    HA   ILE 267           HA       ILE 267   5.364  -7.362  -1.314
  102    HB   ILE 267           HB       ILE 267   8.284  -7.805  -1.933
  103   1HG1  ILE 267          1HG1      ILE 267   7.430  -5.597  -2.601
  104   2HG1  ILE 267          2HG1      ILE 267   7.803  -6.592  -4.003
  105   1HG2  ILE 267          1HG2      ILE 267   7.275  -8.914  -4.021
  106   2HG2  ILE 267          2HG2      ILE 267   5.806  -9.059  -3.056
  107   3HG2  ILE 267          3HG2      ILE 267   7.296  -9.830  -2.514
  108   1HD1  ILE 267          1HD1      ILE 267   5.746  -5.365  -4.333
  109   2HD1  ILE 267          2HD1      ILE 267   5.063  -6.077  -2.871
  110   3HD1  ILE 267          3HD1      ILE 267   5.424  -7.098  -4.264
  111    H    GLU 268           H        GLU 268   8.262  -8.406   0.459
  112    HA   GLU 268           HA       GLU 268   7.526 -11.118   0.682
  113   1HB   GLU 268          1HB       GLU 268   9.325  -9.467   2.462
  114   2HB   GLU 268          2HB       GLU 268   9.225 -11.221   2.474
  115   1HG   GLU 268          1HG       GLU 268  10.024 -11.283   0.167
  116   2HG   GLU 268          2HG       GLU 268  10.128  -9.523   0.158
  117    H    LEU 269           H        LEU 269   7.130  -8.364   2.891
  118    HA   LEU 269           HA       LEU 269   5.984  -9.721   5.037
  119   1HB   LEU 269          1HB       LEU 269   5.355  -6.927   4.074
  120   2HB   LEU 269          2HB       LEU 269   4.997  -7.562   5.669
  121    HG   LEU 269           HG       LEU 269   7.763  -7.159   4.524
  122   1HD1  LEU 269          1HD1      LEU 269   6.249  -5.149   5.240
  123   2HD1  LEU 269          2HD1      LEU 269   7.939  -5.219   5.737
  124   3HD1  LEU 269          3HD1      LEU 269   6.668  -5.680   6.869
  125   1HD2  LEU 269          1HD2      LEU 269   8.246  -7.485   7.085
  126   2HD2  LEU 269          2HD2      LEU 269   8.098  -8.874   6.008
  127   3HD2  LEU 269          3HD2      LEU 269   6.741  -8.403   7.031
  128    H    SER 270           H        SER 270   4.527  -8.455   2.093
  129    HA   SER 270           HA       SER 270   1.831  -8.892   2.811
  130   1HB   SER 270          1HB       SER 270   2.494  -7.407   0.965
  131   2HB   SER 270          2HB       SER 270   3.081  -8.799   0.056
  132    HG   SER 270           HG       SER 270   0.413  -8.527   0.967
  133    H    LEU 271           H        LEU 271   4.093 -10.831   0.857
  134    HA   LEU 271           HA       LEU 271   2.382 -12.916   0.210
  135   1HB   LEU 271          1HB       LEU 271   5.346 -13.031   0.780
  136   2HB   LEU 271          2HB       LEU 271   4.430 -14.303  -0.005
  137    HG   LEU 271           HG       LEU 271   4.868 -11.517  -1.086
  138   1HD1  LEU 271          1HD1      LEU 271   5.882 -14.127  -2.180
  139   2HD1  LEU 271          2HD1      LEU 271   6.824 -13.113  -1.087
  140   3HD1  LEU 271          3HD1      LEU 271   6.332 -12.492  -2.663
  141   1HD2  LEU 271          1HD2      LEU 271   3.193 -13.816  -2.003
  142   2HD2  LEU 271          2HD2      LEU 271   3.909 -12.716  -3.181
  143   3HD2  LEU 271          3HD2      LEU 271   2.804 -12.096  -1.953
  144    H    LYS 272           H        LYS 272   4.387 -12.466   3.089
  145    HA   LYS 272           HA       LYS 272   3.841 -14.948   4.296
  146   1HB   LYS 272          1HB       LYS 272   4.508 -12.297   5.591
  147   2HB   LYS 272          2HB       LYS 272   4.565 -13.860   6.394
  148   1HG   LYS 272          1HG       LYS 272   6.268 -13.007   4.059
  149   2HG   LYS 272          2HG       LYS 272   6.786 -13.125   5.741
  150   1HD   LYS 272          1HD       LYS 272   5.824 -15.410   4.018
  151   2HD   LYS 272          2HD       LYS 272   7.501 -15.077   4.454
  152   1HE   LYS 272          1HE       LYS 272   5.266 -15.754   6.362
  153   2HE   LYS 272          2HE       LYS 272   6.561 -16.838   5.855
  154   1HZ   LYS 272          1HZ       LYS 272   7.694 -16.077   7.586
  155   2HZ   LYS 272          2HZ       LYS 272   6.571 -14.849   7.889
  156   3HZ   LYS 272          3HZ       LYS 272   7.828 -14.591   6.787
  157    H    GLU 273           H        GLU 273   2.192 -11.838   4.399
  158    HA   GLU 273           HA       GLU 273   0.341 -12.388   6.421
  159   1HB   GLU 273          1HB       GLU 273   0.723 -10.141   5.478
  160   2HB   GLU 273          2HB       GLU 273  -0.025 -10.650   3.972
  161   1HG   GLU 273          1HG       GLU 273  -2.137 -11.017   5.142
  162   2HG   GLU 273          2HG       GLU 273  -1.386 -10.503   6.652
  163    H    SER 274           H        SER 274   0.362 -13.203   3.007
  164    HA   SER 274           HA       SER 274  -1.680 -15.196   3.437
  165   1HB   SER 274          1HB       SER 274  -3.051 -13.198   3.007
  166   2HB   SER 274          2HB       SER 274  -2.180 -12.919   1.498
  167    HG   SER 274           HG       SER 274  -3.357 -14.388   0.568
  168    H    ARG 275           H        ARG 275  -1.026 -16.937   2.375
  169    HA   ARG 275           HA       ARG 275   1.068 -16.823   0.442
  170   1HB   ARG 275          1HB       ARG 275  -0.666 -19.081   1.438
  171   2HB   ARG 275          2HB       ARG 275   0.585 -19.310   0.226
  172   1HG   ARG 275          1HG       ARG 275   1.449 -19.938   2.366
  173   2HG   ARG 275          2HG       ARG 275   2.252 -18.458   1.844
  174   1HD   ARG 275          1HD       ARG 275   1.679 -18.325   4.199
  175   2HD   ARG 275          2HD       ARG 275   0.747 -17.150   3.274
  176    HE   ARG 275           HE       ARG 275  -1.126 -18.172   4.052
  177   1HH1  ARG 275          1HH1      ARG 275   1.454 -20.517   4.054
  178   2HH1  ARG 275          2HH1      ARG 275   0.476 -21.781   4.721
  179   1HH2  ARG 275          1HH2      ARG 275  -2.416 -19.830   4.933
  180   2HH2  ARG 275          2HH2      ARG 275  -1.723 -21.390   5.220
  181    H    ASN 276           H        ASN 276  -2.331 -17.896   0.212
  182    HA   ASN 276           HA       ASN 276  -2.274 -18.181  -2.603
  183   1HB   ASN 276          1HB       ASN 276  -4.753 -18.272  -2.433
  184   2HB   ASN 276          2HB       ASN 276  -3.938 -19.370  -1.328
  185   1HD2  ASN 276          1HD2      ASN 276  -3.426 -16.457   0.013
  186   2HD2  ASN 276          2HD2      ASN 276  -4.806 -16.349   1.042
  187    H    SER 277           H        SER 277  -2.962 -16.855  -4.242
  188    HA   SER 277           HA       SER 277  -2.504 -14.115  -3.994
  189   1HB   SER 277          1HB       SER 277  -4.094 -15.577  -6.117
  190   2HB   SER 277          2HB       SER 277  -3.483 -13.929  -6.258
  191    HG   SER 277           HG       SER 277  -2.192 -15.804  -7.146
  192    H    ALA 278           H        ALA 278  -3.725 -12.424  -3.424
  193    HA   ALA 278           HA       ALA 278  -6.214 -12.793  -2.148
  194   1HB   ALA 278          1HB       ALA 278  -5.924 -10.691  -1.431
  195   2HB   ALA 278          2HB       ALA 278  -5.666 -10.069  -3.061
  196   3HB   ALA 278          3HB       ALA 278  -4.332 -10.815  -2.180
  197   1H    MET   1          1H        MET   1 -16.898   0.266   3.571
  198   2H    MET   1          2H        MET   1 -15.919   0.324   2.193
  199   3H    MET   1          3H        MET   1 -15.614   1.365   3.490
  200    HA   MET   1           HA       MET   1 -15.539  -1.090   4.644
  201   1HB   MET   1          1HB       MET   1 -14.011  -2.382   3.198
  202   2HB   MET   1          2HB       MET   1 -15.582  -2.137   2.449
  203   1HG   MET   1          1HG       MET   1 -14.652  -0.323   1.098
  204   2HG   MET   1          2HG       MET   1 -13.077  -0.584   1.846
  205   1HE   MET   1          1HE       MET   1 -11.696  -3.690   0.568
  206   2HE   MET   1          2HE       MET   1 -13.049  -4.239   1.558
  207   3HE   MET   1          3HE       MET   1 -12.105  -2.835   2.055
  208    H    GLN   2           H        GLN   2 -13.843  -1.079   6.022
  209    HA   GLN   2           HA       GLN   2 -11.883   1.073   5.669
  210   1HB   GLN   2          1HB       GLN   2 -11.493   0.928   8.068
  211   2HB   GLN   2          2HB       GLN   2 -13.203   1.152   7.733
  212   1HG   GLN   2          1HG       GLN   2 -13.563  -1.255   8.078
  213   2HG   GLN   2          2HG       GLN   2 -11.855  -1.431   8.481
  214   1HE2  GLN   2          1HE2      GLN   2 -11.407  -1.412  10.559
  215   2HE2  GLN   2          2HE2      GLN   2 -12.337  -0.649  11.798
  216    H    ILE   3           H        ILE   3  -9.738   0.719   5.606
  217    HA   ILE   3           HA       ILE   3  -8.725  -1.995   6.037
  218    HB   ILE   3           HB       ILE   3  -7.321  -1.764   3.962
  219   1HG1  ILE   3          1HG1      ILE   3  -9.289   0.467   3.390
  220   2HG1  ILE   3          2HG1      ILE   3  -7.554   0.647   3.633
  221   1HG2  ILE   3          1HG2      ILE   3  -9.772  -2.851   4.308
  222   2HG2  ILE   3          2HG2      ILE   3  -8.825  -2.996   2.827
  223   3HG2  ILE   3          3HG2      ILE   3 -10.083  -1.767   2.951
  224   1HD1  ILE   3          1HD1      ILE   3  -9.045  -0.397   1.286
  225   2HD1  ILE   3          2HD1      ILE   3  -7.423  -1.011   1.606
  226   3HD1  ILE   3          3HD1      ILE   3  -7.679   0.717   1.358
  227    H    PHE   4           H        PHE   4  -6.701  -2.074   6.903
  228    HA   PHE   4           HA       PHE   4  -5.673   0.329   8.028
  229   1HB   PHE   4          1HB       PHE   4  -4.953  -2.541   8.156
  230   2HB   PHE   4          2HB       PHE   4  -3.664  -1.391   8.498
  231    HD1  PHE   4           HD1      PHE   4  -3.564  -0.239  10.529
  232    HD2  PHE   4           HD2      PHE   4  -7.053  -2.464   9.531
  233    HE1  PHE   4           HE1      PHE   4  -4.393   0.047  12.825
  234    HE2  PHE   4           HE2      PHE   4  -7.890  -2.187  11.829
  235    HZ   PHE   4           HZ       PHE   4  -6.559  -0.930  13.480
  236    H    VAL   5           H        VAL   5  -3.207   0.676   7.936
  237    HA   VAL   5           HA       VAL   5  -2.175   0.448   5.205
  238    HB   VAL   5           HB       VAL   5  -2.130   3.082   6.679
  239   1HG1  VAL   5          1HG1      VAL   5  -1.053   2.078   4.168
  240   2HG1  VAL   5          2HG1      VAL   5  -0.610   3.507   5.103
  241   3HG1  VAL   5          3HG1      VAL   5  -1.980   3.568   3.989
  242   1HG2  VAL   5          1HG2      VAL   5  -3.920   3.843   5.185
  243   2HG2  VAL   5          2HG2      VAL   5  -4.455   2.542   6.248
  244   3HG2  VAL   5          3HG2      VAL   5  -4.083   2.202   4.558
  245    H    LYS   6           H        LYS   6  -0.386  -0.716   5.637
  246    HA   LYS   6           HA       LYS   6   1.228  -0.097   7.990
  247   1HB   LYS   6          1HB       LYS   6   0.670  -2.438   7.591
  248   2HB   LYS   6          2HB       LYS   6   1.418  -2.364   6.001
  249   1HG   LYS   6          1HG       LYS   6   3.590  -1.954   7.037
  250   2HG   LYS   6          2HG       LYS   6   2.840  -2.019   8.633
  251   1HD   LYS   6          1HD       LYS   6   2.168  -4.332   8.230
  252   2HD   LYS   6          2HD       LYS   6   2.892  -4.268   6.621
  253   1HE   LYS   6          1HE       LYS   6   5.087  -3.857   7.636
  254   2HE   LYS   6          2HE       LYS   6   4.356  -3.943   9.238
  255   1HZ   LYS   6          1HZ       LYS   6   3.669  -6.240   8.694
  256   2HZ   LYS   6          2HZ       LYS   6   5.348  -6.037   8.732
  257   3HZ   LYS   6          3HZ       LYS   6   4.542  -6.137   7.249
  258    H    THR   7           H        THR   7   3.180   0.840   7.933
  259    HA   THR   7           HA       THR   7   4.111   1.890   5.388
  260    HB   THR   7           HB       THR   7   5.715   3.189   6.755
  261    HG1  THR   7           HG1      THR   7   5.696   2.992   8.972
  262   1HG2  THR   7          1HG2      THR   7   2.784   3.273   7.392
  263   2HG2  THR   7          2HG2      THR   7   3.724   4.338   6.346
  264   3HG2  THR   7          3HG2      THR   7   3.904   4.438   8.098
  265    H    LEU   8           H        LEU   8   6.896   2.109   6.305
  266    HA   LEU   8           HA       LEU   8   7.879  -0.334   5.190
  267   1HB   LEU   8          1HB       LEU   8   9.157   2.160   6.255
  268   2HB   LEU   8          2HB       LEU   8  10.131   0.764   5.839
  269    HG   LEU   8           HG       LEU   8   9.469   0.894   3.535
  270   1HD1  LEU   8          1HD1      LEU   8   7.490   2.913   4.524
  271   2HD1  LEU   8          2HD1      LEU   8   7.220   1.486   3.520
  272   3HD1  LEU   8          3HD1      LEU   8   8.027   2.902   2.844
  273   1HD2  LEU   8          1HD2      LEU   8  10.741   3.061   4.929
  274   2HD2  LEU   8          2HD2      LEU   8   9.921   3.649   3.482
  275   3HD2  LEU   8          3HD2      LEU   8  11.119   2.363   3.355
  276    H    THR   9           H        THR   9   8.411   1.235   8.359
  277    HA   THR   9           HA       THR   9   9.823  -0.909   9.496
  278    HB   THR   9           HB       THR   9   8.160   1.181  10.917
  279    HG1  THR   9           HG1      THR   9  10.803   1.133   9.916
  280   1HG2  THR   9          1HG2      THR   9   9.922  -0.994  11.852
  281   2HG2  THR   9          2HG2      THR   9   8.598  -0.173  12.679
  282   3HG2  THR   9          3HG2      THR   9  10.191   0.580  12.600
  283    H    GLY  10           H        GLY  10   6.394   0.000   9.807
  284   1HA   GLY  10          1HA       GLY  10   5.087  -2.277   9.555
  285   2HA   GLY  10          2HA       GLY  10   5.839  -2.552  11.119
  286    H    LYS  11           H        LYS  11   4.864   0.650  10.185
  287    HA   LYS  11           HA       LYS  11   3.050   0.759  12.426
  288   1HB   LYS  11          1HB       LYS  11   4.530   2.653  11.919
  289   2HB   LYS  11          2HB       LYS  11   3.743   2.855  10.360
  290   1HG   LYS  11          1HG       LYS  11   2.902   4.495  11.895
  291   2HG   LYS  11          2HG       LYS  11   1.623   3.336  11.531
  292   1HD   LYS  11          1HD       LYS  11   2.097   2.170  13.637
  293   2HD   LYS  11          2HD       LYS  11   3.361   3.349  13.996
  294   1HE   LYS  11          1HE       LYS  11   1.702   5.135  14.019
  295   2HE   LYS  11          2HE       LYS  11   0.434   3.976  13.622
  296   1HZ   LYS  11          1HZ       LYS  11   0.625   4.583  16.026
  297   2HZ   LYS  11          2HZ       LYS  11   2.107   3.769  16.061
  298   3HZ   LYS  11          3HZ       LYS  11   0.686   2.923  15.707
  299    H    THR  12           H        THR  12   1.025   0.092  12.281
  300    HA   THR  12           HA       THR  12  -0.329   0.129   9.685
  301    HB   THR  12           HB       THR  12  -1.983  -1.364  10.757
  302    HG1  THR  12           HG1      THR  12  -0.200  -1.298  12.979
  303   1HG2  THR  12          1HG2      THR  12   0.224  -2.139   9.652
  304   2HG2  THR  12          2HG2      THR  12  -0.697  -3.300  10.607
  305   3HG2  THR  12          3HG2      THR  12   0.727  -2.522  11.298
  306    H    ILE  13           H        ILE  13  -2.026   1.437   9.291
  307    HA   ILE  13           HA       ILE  13  -3.338   2.757  11.561
  308    HB   ILE  13           HB       ILE  13  -2.304   4.203   9.120
  309   1HG1  ILE  13          1HG1      ILE  13  -1.560   4.450  12.045
  310   2HG1  ILE  13          2HG1      ILE  13  -0.571   3.696  10.799
  311   1HG2  ILE  13          1HG2      ILE  13  -3.217   6.016  11.061
  312   2HG2  ILE  13          2HG2      ILE  13  -4.480   4.795  10.889
  313   3HG2  ILE  13          3HG2      ILE  13  -3.917   5.689   9.474
  314   1HD1  ILE  13          1HD1      ILE  13  -0.398   5.850   9.653
  315   2HD1  ILE  13          2HD1      ILE  13   0.224   5.921  11.302
  316   3HD1  ILE  13          3HD1      ILE  13  -1.363   6.594  10.927
  317    H    THR  14           H        THR  14  -5.483   2.827  11.392
  318    HA   THR  14           HA       THR  14  -6.841   1.509   9.305
  319    HB   THR  14           HB       THR  14  -7.976   3.421  11.360
  320    HG1  THR  14           HG1      THR  14  -8.557   1.137  12.201
  321   1HG2  THR  14          1HG2      THR  14  -9.508   3.011   9.489
  322   2HG2  THR  14          2HG2      THR  14 -10.091   2.253  10.971
  323   3HG2  THR  14          3HG2      THR  14  -9.326   1.272   9.720
  324    H    LEU  15           H        LEU  15  -7.872   2.237   7.506
  325    HA   LEU  15           HA       LEU  15  -8.150   5.104   7.085
  326   1HB   LEU  15          1HB       LEU  15  -5.934   4.523   6.181
  327   2HB   LEU  15          2HB       LEU  15  -6.662   3.322   5.138
  328    HG   LEU  15           HG       LEU  15  -6.021   5.488   4.031
  329   1HD1  LEU  15          1HD1      LEU  15  -7.826   3.835   3.251
  330   2HD1  LEU  15          2HD1      LEU  15  -7.796   5.448   2.538
  331   3HD1  LEU  15          3HD1      LEU  15  -8.973   5.060   3.793
  332   1HD2  LEU  15          1HD2      LEU  15  -8.302   7.020   4.602
  333   2HD2  LEU  15          2HD2      LEU  15  -6.622   7.400   4.978
  334   3HD2  LEU  15          3HD2      LEU  15  -7.619   6.550   6.158
  335    H    GLU  16           H        GLU  16 -10.195   5.328   6.728
  336    HA   GLU  16           HA       GLU  16 -11.874   3.280   5.670
  337   1HB   GLU  16          1HB       GLU  16 -12.709   4.847   7.331
  338   2HB   GLU  16          2HB       GLU  16 -12.389   6.201   6.258
  339   1HG   GLU  16          1HG       GLU  16 -14.729   5.749   6.243
  340   2HG   GLU  16          2HG       GLU  16 -14.061   5.284   4.679
  341    H    VAL  17           H        VAL  17 -12.699   3.027   3.653
  342    HA   VAL  17           HA       VAL  17 -12.676   5.090   1.690
  343    HB   VAL  17           HB       VAL  17 -10.289   4.551   1.616
  344   1HG1  VAL  17          1HG1      VAL  17 -10.137   2.082   0.372
  345   2HG1  VAL  17          2HG1      VAL  17 -11.289   1.832   1.684
  346   3HG1  VAL  17          3HG1      VAL  17  -9.675   2.451   2.033
  347   1HG2  VAL  17          1HG2      VAL  17 -12.080   4.614  -0.546
  348   2HG2  VAL  17          2HG2      VAL  17 -10.885   3.374  -0.928
  349   3HG2  VAL  17          3HG2      VAL  17 -10.363   5.017  -0.552
  350    H    GLU  18           H        GLU  18 -14.237   4.715   0.269
  351    HA   GLU  18           HA       GLU  18 -15.813   2.363   0.414
  352   1HB   GLU  18          1HB       GLU  18 -15.835   4.608  -1.609
  353   2HB   GLU  18          2HB       GLU  18 -17.070   3.364  -1.478
  354   1HG   GLU  18          1HG       GLU  18 -16.366   5.363   0.660
  355   2HG   GLU  18          2HG       GLU  18 -17.749   5.463  -0.427
  356    H    SER  19           H        SER  19 -16.028   0.655  -0.978
  357    HA   SER  19           HA       SER  19 -13.774  -0.293  -2.306
  358   1HB   SER  19          1HB       SER  19 -15.590  -1.755  -1.537
  359   2HB   SER  19          2HB       SER  19 -16.669  -1.064  -2.749
  360    HG   SER  19           HG       SER  19 -14.528  -1.846  -4.043
  361    H    SER  20           H        SER  20 -16.576   1.461  -3.539
  362    HA   SER  20           HA       SER  20 -16.072   1.221  -6.275
  363   1HB   SER  20          1HB       SER  20 -17.339   3.534  -4.785
  364   2HB   SER  20          2HB       SER  20 -17.452   3.256  -6.523
  365    HG   SER  20           HG       SER  20 -18.840   2.101  -4.481
  366    H    ASP  21           H        ASP  21 -14.842   3.524  -3.898
  367    HA   ASP  21           HA       ASP  21 -13.586   5.335  -5.585
  368   1HB   ASP  21          1HB       ASP  21 -12.679   4.378  -2.861
  369   2HB   ASP  21          2HB       ASP  21 -12.104   5.833  -3.667
  370    H    THR  22           H        THR  22 -11.744   5.348  -6.755
  371    HA   THR  22           HA       THR  22 -10.437   2.856  -7.290
  372    HB   THR  22           HB       THR  22  -9.026   4.149  -8.843
  373    HG1  THR  22           HG1      THR  22  -9.325   6.388  -9.000
  374   1HG2  THR  22          1HG2      THR  22 -11.991   4.343  -8.874
  375   2HG2  THR  22          2HG2      THR  22 -10.899   3.533  -9.996
  376   3HG2  THR  22          3HG2      THR  22 -11.097   5.284 -10.068
  377    H    ILE  23           H        ILE  23  -7.775   3.861  -7.734
  378    HA   ILE  23           HA       ILE  23  -6.734   3.489  -5.071
  379    HB   ILE  23           HB       ILE  23  -5.222   4.047  -7.626
  380   1HG1  ILE  23          1HG1      ILE  23  -6.541   1.991  -7.815
  381   2HG1  ILE  23          2HG1      ILE  23  -4.826   1.616  -7.692
  382   1HG2  ILE  23          1HG2      ILE  23  -4.028   2.590  -5.338
  383   2HG2  ILE  23          2HG2      ILE  23  -4.244   4.333  -5.168
  384   3HG2  ILE  23          3HG2      ILE  23  -3.282   3.690  -6.499
  385   1HD1  ILE  23          1HD1      ILE  23  -5.117   0.436  -5.829
  386   2HD1  ILE  23          2HD1      ILE  23  -6.834   0.469  -6.230
  387   3HD1  ILE  23          3HD1      ILE  23  -6.167   1.658  -5.112
  388    H    ASP  24           H        ASP  24  -6.644   6.050  -7.533
  389    HA   ASP  24           HA       ASP  24  -5.074   7.910  -6.218
  390   1HB   ASP  24          1HB       ASP  24  -7.482   8.394  -7.983
  391   2HB   ASP  24          2HB       ASP  24  -6.333   9.640  -7.507
  392    H    ASN  25           H        ASN  25  -8.495   7.206  -5.810
  393    HA   ASN  25           HA       ASN  25  -9.157   9.347  -4.119
  394   1HB   ASN  25          1HB       ASN  25 -10.324   6.561  -4.299
  395   2HB   ASN  25          2HB       ASN  25 -11.059   7.887  -3.410
  396   1HD2  ASN  25          1HD2      ASN  25  -9.618   9.281  -5.997
  397   2HD2  ASN  25          2HD2      ASN  25 -10.943   9.279  -7.105
  398    H    VAL  26           H        VAL  26  -8.035   6.058  -3.398
  399    HA   VAL  26           HA       VAL  26  -8.155   6.239  -0.602
  400    HB   VAL  26           HB       VAL  26  -6.205   4.601  -2.226
  401   1HG1  VAL  26          1HG1      VAL  26  -7.064   3.292   0.131
  402   2HG1  VAL  26          2HG1      VAL  26  -6.565   4.923   0.578
  403   3HG1  VAL  26          3HG1      VAL  26  -5.446   3.863  -0.279
  404   1HG2  VAL  26          1HG2      VAL  26  -8.841   3.635  -1.169
  405   2HG2  VAL  26          2HG2      VAL  26  -7.801   2.900  -2.389
  406   3HG2  VAL  26          3HG2      VAL  26  -8.700   4.370  -2.766
  407    H    LYS  27           H        LYS  27  -5.431   6.793  -2.821
  408    HA   LYS  27           HA       LYS  27  -3.520   7.412  -0.884
  409   1HB   LYS  27          1HB       LYS  27  -3.745   8.293  -3.761
  410   2HB   LYS  27          2HB       LYS  27  -2.329   8.582  -2.759
  411   1HG   LYS  27          1HG       LYS  27  -3.455   5.868  -3.421
  412   2HG   LYS  27          2HG       LYS  27  -2.080   6.627  -4.226
  413   1HD   LYS  27          1HD       LYS  27  -0.891   6.707  -2.072
  414   2HD   LYS  27          2HD       LYS  27  -2.257   5.899  -1.302
  415   1HE   LYS  27          1HE       LYS  27  -1.919   3.932  -2.658
  416   2HE   LYS  27          2HE       LYS  27  -0.654   4.748  -3.577
  417   1HZ   LYS  27          1HZ       LYS  27   0.473   4.991  -1.296
  418   2HZ   LYS  27          2HZ       LYS  27   0.517   3.483  -2.060
  419   3HZ   LYS  27          3HZ       LYS  27  -0.578   3.760  -0.801
  420    H    SER  28           H        SER  28  -5.782   9.546  -2.605
  421    HA   SER  28           HA       SER  28  -4.778  11.973  -1.623
  422   1HB   SER  28          1HB       SER  28  -6.985  12.915  -2.185
  423   2HB   SER  28          2HB       SER  28  -6.389  11.869  -3.473
  424    HG   SER  28           HG       SER  28  -8.686  11.655  -2.616
  425    H    LYS  29           H        LYS  29  -7.325   9.839  -0.355
  426    HA   LYS  29           HA       LYS  29  -7.991  11.414   1.877
  427   1HB   LYS  29          1HB       LYS  29  -8.152   8.408   1.574
  428   2HB   LYS  29          2HB       LYS  29  -8.985   9.361   2.797
  429   1HG   LYS  29          1HG       LYS  29 -10.226  10.524   1.029
  430   2HG   LYS  29          2HG       LYS  29  -9.412   9.532  -0.180
  431   1HD   LYS  29          1HD       LYS  29 -11.585   8.601   0.245
  432   2HD   LYS  29          2HD       LYS  29 -10.366   7.517   0.916
  433   1HE   LYS  29          1HE       LYS  29 -10.766   8.398   3.139
  434   2HE   LYS  29          2HE       LYS  29 -11.919   9.566   2.493
  435   1HZ   LYS  29          1HZ       LYS  29 -13.517   8.014   2.302
  436   2HZ   LYS  29          2HZ       LYS  29 -12.623   7.209   3.491
  437   3HZ   LYS  29          3HZ       LYS  29 -12.445   6.779   1.865
  438    H    ILE  30           H        ILE  30  -5.639   8.790   1.479
  439    HA   ILE  30           HA       ILE  30  -4.767   8.623   4.133
  440    HB   ILE  30           HB       ILE  30  -3.211   8.135   1.587
  441   1HG1  ILE  30          1HG1      ILE  30  -4.622   6.222   3.461
  442   2HG1  ILE  30          2HG1      ILE  30  -5.213   6.719   1.880
  443   1HG2  ILE  30          1HG2      ILE  30  -2.547   7.449   4.445
  444   2HG2  ILE  30          2HG2      ILE  30  -1.638   8.492   3.352
  445   3HG2  ILE  30          3HG2      ILE  30  -1.727   6.757   3.045
  446   1HD1  ILE  30          1HD1      ILE  30  -2.691   5.779   1.333
  447   2HD1  ILE  30          2HD1      ILE  30  -4.203   4.897   1.111
  448   3HD1  ILE  30          3HD1      ILE  30  -3.269   4.689   2.592
  449    H    GLN  31           H        GLN  31  -3.778  10.722   1.481
  450    HA   GLN  31           HA       GLN  31  -1.574  11.930   2.734
  451   1HB   GLN  31          1HB       GLN  31  -1.973  12.135   0.338
  452   2HB   GLN  31          2HB       GLN  31  -3.458  13.028   0.638
  453   1HG   GLN  31          1HG       GLN  31  -2.139  14.823   1.681
  454   2HG   GLN  31          2HG       GLN  31  -0.665  13.934   1.304
  455   1HE2  GLN  31          1HE2      GLN  31  -2.754  13.334  -1.160
  456   2HE2  GLN  31          2HE2      GLN  31  -2.272  14.576  -2.258
  457    H    ASP  32           H        ASP  32  -5.008  12.782   2.667
  458    HA   ASP  32           HA       ASP  32  -4.813  15.219   4.037
  459   1HB   ASP  32          1HB       ASP  32  -6.828  14.493   2.819
  460   2HB   ASP  32          2HB       ASP  32  -7.109  13.247   4.031
  461    H    LYS  33           H        LYS  33  -5.323  11.920   5.266
  462    HA   LYS  33           HA       LYS  33  -5.506  12.779   7.993
  463   1HB   LYS  33          1HB       LYS  33  -6.605  10.729   7.115
  464   2HB   LYS  33          2HB       LYS  33  -5.017   9.999   6.917
  465   1HG   LYS  33          1HG       LYS  33  -4.641  10.190   9.335
  466   2HG   LYS  33          2HG       LYS  33  -6.257  10.875   9.517
  467   1HD   LYS  33          1HD       LYS  33  -5.634   8.137   8.409
  468   2HD   LYS  33          2HD       LYS  33  -6.194   8.471  10.049
  469   1HE   LYS  33          1HE       LYS  33  -8.262   9.416   9.152
  470   2HE   LYS  33          2HE       LYS  33  -7.700   9.104   7.511
  471   1HZ   LYS  33          1HZ       LYS  33  -8.822   7.282   9.457
  472   2HZ   LYS  33          2HZ       LYS  33  -7.475   6.682   8.630
  473   3HZ   LYS  33          3HZ       LYS  33  -8.832   7.204   7.766
  474    H    GLU  34           H        GLU  34  -3.094  10.680   6.401
  475    HA   GLU  34           HA       GLU  34  -1.243  10.962   8.545
  476   1HB   GLU  34          1HB       GLU  34  -0.916   9.799   5.782
  477   2HB   GLU  34          2HB       GLU  34   0.304   9.707   7.046
  478   1HG   GLU  34          1HG       GLU  34  -1.282   8.484   8.464
  479   2HG   GLU  34          2HG       GLU  34  -2.468   8.540   7.160
  480    H    GLY  35           H        GLY  35  -1.362  12.343   5.259
  481   1HA   GLY  35          1HA       GLY  35  -0.509  14.474   4.703
  482   2HA   GLY  35          2HA       GLY  35   0.427  14.461   6.190
  483    H    ILE  36           H        ILE  36   0.208  12.337   3.333
  484    HA   ILE  36           HA       ILE  36   3.074  12.755   2.863
  485    HB   ILE  36           HB       ILE  36   1.733  10.053   3.048
  486   1HG1  ILE  36          1HG1      ILE  36   4.009  11.279   4.622
  487   2HG1  ILE  36          2HG1      ILE  36   2.368  11.038   5.211
  488   1HG2  ILE  36          1HG2      ILE  36   4.068  10.912   1.560
  489   2HG2  ILE  36          2HG2      ILE  36   3.193   9.383   1.505
  490   3HG2  ILE  36          3HG2      ILE  36   4.447   9.639   2.719
  491   1HD1  ILE  36          1HD1      ILE  36   4.432   9.330   5.611
  492   2HD1  ILE  36          2HD1      ILE  36   3.655   8.613   4.200
  493   3HD1  ILE  36          3HD1      ILE  36   2.728   8.883   5.675
  494    HA   PRO  37           HA       PRO  37   1.666  13.424  -1.300
  495   1HB   PRO  37          1HB       PRO  37   4.385  12.462  -2.021
  496   2HB   PRO  37          2HB       PRO  37   3.567  13.963  -2.467
  497   1HG   PRO  37          1HG       PRO  37   5.509  13.968  -0.647
  498   2HG   PRO  37          2HG       PRO  37   4.076  14.995  -0.452
  499   1HD   PRO  37          1HD       PRO  37   4.764  12.418   0.899
  500   2HD   PRO  37          2HD       PRO  37   3.980  13.866   1.565
  501    HA   PRO  38           HA       PRO  38   0.410   9.269  -2.372
  502   1HB   PRO  38          1HB       PRO  38  -0.422  10.542  -4.909
  503   2HB   PRO  38          2HB       PRO  38  -1.380   9.622  -3.745
  504   1HG   PRO  38          1HG       PRO  38  -1.641  12.273  -3.961
  505   2HG   PRO  38          2HG       PRO  38  -1.742  11.461  -2.388
  506   1HD   PRO  38          1HD       PRO  38   0.528  13.003  -3.584
  507   2HD   PRO  38          2HD       PRO  38  -0.066  12.986  -1.910
  508    H    ASP  39           H        ASP  39   1.982  11.320  -4.824
  509    HA   ASP  39           HA       ASP  39   2.793   9.256  -6.523
  510   1HB   ASP  39          1HB       ASP  39   4.486  10.892  -7.372
  511   2HB   ASP  39          2HB       ASP  39   2.840  11.512  -7.321
  512    H    GLN  40           H        GLN  40   4.422  10.663  -3.711
  513    HA   GLN  40           HA       GLN  40   6.861   9.260  -4.076
  514   1HB   GLN  40          1HB       GLN  40   5.664  10.472  -1.580
  515   2HB   GLN  40          2HB       GLN  40   7.319   9.896  -1.724
  516   1HG   GLN  40          1HG       GLN  40   6.104  12.123  -3.344
  517   2HG   GLN  40          2HG       GLN  40   7.147  12.329  -1.937
  518   1HE2  GLN  40          1HE2      GLN  40   9.192  12.693  -2.374
  519   2HE2  GLN  40          2HE2      GLN  40  10.038  12.205  -3.799
  520    H    GLN  41           H        GLN  41   4.059   8.671  -1.964
  521    HA   GLN  41           HA       GLN  41   5.099   6.248  -0.897
  522   1HB   GLN  41          1HB       GLN  41   2.827   5.927   0.009
  523   2HB   GLN  41          2HB       GLN  41   3.455   7.535   0.339
  524   1HG   GLN  41          1HG       GLN  41   2.126   8.445  -1.483
  525   2HG   GLN  41          2HG       GLN  41   1.516   6.834  -1.855
  526   1HE2  GLN  41          1HE2      GLN  41   0.753   9.642  -0.399
  527   2HE2  GLN  41          2HE2      GLN  41  -0.407   9.083   0.753
  528    H    ARG  42           H        ARG  42   5.030   4.237  -1.656
  529    HA   ARG  42           HA       ARG  42   3.592   3.749  -4.166
  530   1HB   ARG  42          1HB       ARG  42   5.800   2.172  -2.832
  531   2HB   ARG  42          2HB       ARG  42   5.035   1.742  -4.356
  532   1HG   ARG  42          1HG       ARG  42   6.589   4.265  -3.834
  533   2HG   ARG  42          2HG       ARG  42   7.191   2.841  -4.684
  534   1HD   ARG  42          1HD       ARG  42   4.867   4.567  -5.533
  535   2HD   ARG  42          2HD       ARG  42   6.478   4.581  -6.248
  536    HE   ARG  42           HE       ARG  42   5.476   1.970  -6.368
  537   1HH1  ARG  42          1HH1      ARG  42   4.865   5.116  -7.737
  538   2HH1  ARG  42          2HH1      ARG  42   4.214   4.488  -9.215
  539   1HH2  ARG  42          1HH2      ARG  42   4.618   1.136  -8.312
  540   2HH2  ARG  42          2HH2      ARG  42   4.074   2.228  -9.541
  541    H    LEU  43           H        LEU  43   1.917   2.381  -4.274
  542    HA   LEU  43           HA       LEU  43   0.999   1.200  -1.784
  543   1HB   LEU  43          1HB       LEU  43  -0.456   2.590  -3.327
  544   2HB   LEU  43          2HB       LEU  43  -0.430   1.232  -4.432
  545    HG   LEU  43           HG       LEU  43  -1.530  -0.167  -2.796
  546   1HD1  LEU  43          1HD1      LEU  43  -0.487   1.003  -0.809
  547   2HD1  LEU  43          2HD1      LEU  43  -2.183   0.546  -0.644
  548   3HD1  LEU  43          3HD1      LEU  43  -1.751   2.221  -0.989
  549   1HD2  LEU  43          1HD2      LEU  43  -2.781   1.478  -4.318
  550   2HD2  LEU  43          2HD2      LEU  43  -3.081   2.390  -2.839
  551   3HD2  LEU  43          3HD2      LEU  43  -3.667   0.734  -2.987
  552    H    ILE  44           H        ILE  44   0.922  -0.929  -1.360
  553    HA   ILE  44           HA       ILE  44   1.341  -2.862  -3.509
  554    HB   ILE  44           HB       ILE  44   3.111  -2.711  -1.065
  555   1HG1  ILE  44          1HG1      ILE  44   3.770  -2.468  -4.011
  556   2HG1  ILE  44          2HG1      ILE  44   3.725  -1.135  -2.861
  557   1HG2  ILE  44          1HG2      ILE  44   4.090  -4.641  -2.824
  558   2HG2  ILE  44          2HG2      ILE  44   2.356  -4.939  -2.723
  559   3HG2  ILE  44          3HG2      ILE  44   3.332  -4.912  -1.255
  560   1HD1  ILE  44          1HD1      ILE  44   5.768  -3.224  -3.269
  561   2HD1  ILE  44          2HD1      ILE  44   5.471  -2.713  -1.607
  562   3HD1  ILE  44          3HD1      ILE  44   5.944  -1.527  -2.823
  563    H    PHE  45           H        PHE  45   0.497  -4.881  -3.111
  564    HA   PHE  45           HA       PHE  45  -0.360  -5.735  -0.526
  565   1HB   PHE  45          1HB       PHE  45  -2.144  -4.115  -0.970
  566   2HB   PHE  45          2HB       PHE  45  -2.491  -4.900  -2.507
  567    HD1  PHE  45           HD1      PHE  45  -1.931  -6.204   0.949
  568    HD2  PHE  45           HD2      PHE  45  -4.533  -5.933  -2.409
  569    HE1  PHE  45           HE1      PHE  45  -3.530  -7.697   2.073
  570    HE2  PHE  45           HE2      PHE  45  -6.138  -7.425  -1.289
  571    HZ   PHE  45           HZ       PHE  45  -5.637  -8.308   0.955
  572    H    ALA  46           H        ALA  46  -0.788  -7.899  -0.471
  573    HA   ALA  46           HA       ALA  46  -0.630 -10.071  -1.126
  574   1HB   ALA  46          1HB       ALA  46  -2.614 -10.414  -2.062
  575   2HB   ALA  46          2HB       ALA  46  -1.852 -10.144  -3.630
  576   3HB   ALA  46          3HB       ALA  46  -2.622  -8.803  -2.781
  577    H    GLY  47           H        GLY  47   1.653  -8.621  -1.670
  578   1HA   GLY  47          1HA       GLY  47   3.612  -8.727  -2.852
  579   2HA   GLY  47          2HA       GLY  47   3.045 -10.294  -3.407
  580    H    LYS  48           H        LYS  48   1.408  -7.252  -4.055
  581    HA   LYS  48           HA       LYS  48   2.491  -7.107  -6.747
  582   1HB   LYS  48          1HB       LYS  48  -0.449  -7.595  -6.230
  583   2HB   LYS  48          2HB       LYS  48   0.223  -7.109  -7.780
  584   1HG   LYS  48          1HG       LYS  48   1.511  -9.178  -7.881
  585   2HG   LYS  48          2HG       LYS  48   0.858  -9.663  -6.314
  586   1HD   LYS  48          1HD       LYS  48  -1.393  -9.687  -7.241
  587   2HD   LYS  48          2HD       LYS  48  -0.772  -9.141  -8.800
  588   1HE   LYS  48          1HE       LYS  48  -0.051 -11.732  -7.433
  589   2HE   LYS  48          2HE       LYS  48  -1.192 -11.561  -8.766
  590   1HZ   LYS  48          1HZ       LYS  48   1.349 -10.380  -9.342
  591   2HZ   LYS  48          2HZ       LYS  48   0.459 -11.506 -10.235
  592   3HZ   LYS  48          3HZ       LYS  48   1.481 -12.031  -8.994
  593    H    GLN  49           H        GLN  49   2.738  -5.042  -7.311
  594    HA   GLN  49           HA       GLN  49   1.935  -2.952  -5.581
  595   1HB   GLN  49          1HB       GLN  49   2.884  -1.447  -7.291
  596   2HB   GLN  49          2HB       GLN  49   3.971  -2.765  -6.881
  597   1HG   GLN  49          1HG       GLN  49   4.168  -2.692  -9.159
  598   2HG   GLN  49          2HG       GLN  49   2.928  -3.925  -8.954
  599   1HE2  GLN  49          1HE2      GLN  49   1.654  -0.928  -8.212
  600   2HE2  GLN  49          2HE2      GLN  49   0.919  -0.571  -9.733
  601    H    LEU  50           H        LEU  50   0.245  -1.592  -5.617
  602    HA   LEU  50           HA       LEU  50  -1.925  -2.217  -7.446
  603   1HB   LEU  50          1HB       LEU  50  -1.769  -0.391  -5.048
  604   2HB   LEU  50          2HB       LEU  50  -3.208  -0.587  -6.028
  605    HG   LEU  50           HG       LEU  50  -3.213  -3.016  -5.432
  606   1HD1  LEU  50          1HD1      LEU  50  -1.377  -3.890  -4.551
  607   2HD1  LEU  50          2HD1      LEU  50  -1.744  -3.012  -3.067
  608   3HD1  LEU  50          3HD1      LEU  50  -0.677  -2.295  -4.275
  609   1HD2  LEU  50          1HD2      LEU  50  -4.112  -0.830  -3.995
  610   2HD2  LEU  50          2HD2      LEU  50  -3.323  -1.840  -2.783
  611   3HD2  LEU  50          3HD2      LEU  50  -4.617  -2.505  -3.781
  612    H    GLU  51           H        GLU  51  -2.544  -0.998  -9.132
  613    HA   GLU  51           HA       GLU  51  -0.894   1.126 -10.047
  614   1HB   GLU  51          1HB       GLU  51  -3.636   0.277 -10.999
  615   2HB   GLU  51          2HB       GLU  51  -2.529   1.332 -11.869
  616   1HG   GLU  51          1HG       GLU  51  -0.912  -0.499 -12.022
  617   2HG   GLU  51          2HG       GLU  51  -2.043  -1.555 -11.177
  618    H    ASP  52           H        ASP  52  -2.977   2.855 -11.086
  619    HA   ASP  52           HA       ASP  52  -3.815   4.190  -8.599
  620   1HB   ASP  52          1HB       ASP  52  -2.785   5.463 -11.143
  621   2HB   ASP  52          2HB       ASP  52  -3.463   6.352  -9.785
  622    H    GLY  53           H        GLY  53  -4.426   4.171 -12.115
  623   1HA   GLY  53          1HA       GLY  53  -7.125   5.123 -11.750
  624   2HA   GLY  53          2HA       GLY  53  -6.373   4.670 -13.272
  625    H    ARG  54           H        ARG  54  -7.108   2.916 -10.241
  626    HA   ARG  54           HA       ARG  54  -8.840   1.118 -11.758
  627   1HB   ARG  54          1HB       ARG  54  -6.459   0.208 -10.142
  628   2HB   ARG  54          2HB       ARG  54  -7.727  -0.860 -10.715
  629   1HG   ARG  54          1HG       ARG  54  -5.931   0.797 -12.472
  630   2HG   ARG  54          2HG       ARG  54  -5.733  -0.924 -12.137
  631   1HD   ARG  54          1HD       ARG  54  -7.949  -1.348 -13.121
  632   2HD   ARG  54          2HD       ARG  54  -8.096   0.369 -13.495
  633    HE   ARG  54           HE       ARG  54  -5.723  -0.605 -14.628
  634   1HH1  ARG  54          1HH1      ARG  54  -9.177  -0.886 -14.998
  635   2HH1  ARG  54          2HH1      ARG  54  -9.096  -1.239 -16.691
  636   1HH2  ARG  54          1HH2      ARG  54  -5.607  -1.072 -16.856
  637   2HH2  ARG  54          2HH2      ARG  54  -7.066  -1.349 -17.747
  638    H    THR  55           H        THR  55 -10.548   0.403 -10.638
  639    HA   THR  55           HA       THR  55 -11.103   1.522  -8.072
  640    HB   THR  55           HB       THR  55 -13.223   0.272  -8.190
  641    HG1  THR  55           HG1      THR  55 -12.181  -1.540  -9.396
  642   1HG2  THR  55          1HG2      THR  55 -12.428   1.694 -10.731
  643   2HG2  THR  55          2HG2      THR  55 -13.148   2.415  -9.292
  644   3HG2  THR  55          3HG2      THR  55 -14.088   1.299 -10.283
  645    H    LEU  56           H        LEU  56 -11.211   0.550  -6.088
  646    HA   LEU  56           HA       LEU  56  -9.445  -1.521  -5.493
  647   1HB   LEU  56          1HB       LEU  56 -11.817  -0.549  -3.899
  648   2HB   LEU  56          2HB       LEU  56 -10.531  -1.563  -3.272
  649    HG   LEU  56           HG       LEU  56 -10.203   1.265  -4.284
  650   1HD1  LEU  56          1HD1      LEU  56  -9.941   1.916  -2.022
  651   2HD1  LEU  56          2HD1      LEU  56  -9.931   0.241  -1.468
  652   3HD1  LEU  56          3HD1      LEU  56 -11.416   0.953  -2.100
  653   1HD2  LEU  56          1HD2      LEU  56  -8.098  -0.084  -2.707
  654   2HD2  LEU  56          2HD2      LEU  56  -7.961   1.085  -4.021
  655   3HD2  LEU  56          3HD2      LEU  56  -8.291  -0.610  -4.380
  656    H    SER  57           H        SER  57 -12.861  -1.588  -6.264
  657    HA   SER  57           HA       SER  57 -13.599  -4.094  -5.378
  658   1HB   SER  57          1HB       SER  57 -14.445  -2.732  -7.947
  659   2HB   SER  57          2HB       SER  57 -15.294  -4.071  -7.174
  660    HG   SER  57           HG       SER  57 -16.001  -1.793  -6.731
  661    H    ASP  58           H        ASP  58 -11.927  -3.233  -8.380
  662    HA   ASP  58           HA       ASP  58 -11.955  -5.727  -9.618
  663   1HB   ASP  58          1HB       ASP  58  -9.802  -3.602  -9.715
  664   2HB   ASP  58          2HB       ASP  58  -9.953  -4.942 -10.846
  665    H    TYR  59           H        TYR  59  -9.606  -4.358  -7.338
  666    HA   TYR  59           HA       TYR  59  -7.893  -6.619  -7.327
  667   1HB   TYR  59          1HB       TYR  59  -8.228  -4.407  -5.289
  668   2HB   TYR  59          2HB       TYR  59  -6.929  -5.594  -5.275
  669    HD1  TYR  59           HD1      TYR  59  -8.470  -3.268  -7.783
  670    HD2  TYR  59           HD2      TYR  59  -4.911  -4.821  -6.043
  671    HE1  TYR  59           HE1      TYR  59  -7.129  -1.823  -9.250
  672    HE2  TYR  59           HE2      TYR  59  -3.560  -3.378  -7.505
  673    HH   TYR  59           HH       TYR  59  -4.583  -2.010 -10.193
  674    H    ASN  60           H        ASN  60 -10.763  -5.743  -5.556
  675    HA   ASN  60           HA       ASN  60 -12.086  -6.876  -4.097
  676   1HB   ASN  60          1HB       ASN  60 -11.872  -8.672  -5.831
  677   2HB   ASN  60          2HB       ASN  60 -10.510  -9.324  -4.928
  678   1HD2  ASN  60          1HD2      ASN  60 -12.667  -8.052  -2.752
  679   2HD2  ASN  60          2HD2      ASN  60 -13.541  -9.489  -2.365
  680    H    ILE  61           H        ILE  61 -10.068  -5.523  -2.970
  681    HA   ILE  61           HA       ILE  61  -8.323  -6.972  -1.310
  682    HB   ILE  61           HB       ILE  61  -9.456  -4.205  -0.872
  683   1HG1  ILE  61          1HG1      ILE  61  -6.877  -5.063  -2.205
  684   2HG1  ILE  61          2HG1      ILE  61  -8.315  -4.521  -3.062
  685   1HG2  ILE  61          1HG2      ILE  61  -7.025  -5.563   0.286
  686   2HG2  ILE  61          2HG2      ILE  61  -8.476  -5.070   1.158
  687   3HG2  ILE  61          3HG2      ILE  61  -7.406  -3.851   0.467
  688   1HD1  ILE  61          1HD1      ILE  61  -6.376  -2.958  -1.433
  689   2HD1  ILE  61          2HD1      ILE  61  -8.038  -2.389  -1.589
  690   3HD1  ILE  61          3HD1      ILE  61  -7.045  -2.617  -3.029
  691    H    GLN  62           H        GLN  62  -8.547  -7.887   0.647
  692    HA   GLN  62           HA       GLN  62 -11.142  -8.423   1.668
  693   1HB   GLN  62          1HB       GLN  62  -8.419  -8.909   2.885
  694   2HB   GLN  62          2HB       GLN  62  -9.929  -9.559   3.510
  695   1HG   GLN  62          1HG       GLN  62 -10.263 -10.777   1.413
  696   2HG   GLN  62          2HG       GLN  62  -8.733 -10.139   0.810
  697   1HE2  GLN  62          1HE2      GLN  62  -7.175 -11.574   0.899
  698   2HE2  GLN  62          2HE2      GLN  62  -6.949 -12.769   2.125
  699    H    LYS  63           H        LYS  63 -12.124  -7.754   3.574
  700    HA   LYS  63           HA       LYS  63 -11.742  -5.066   4.312
  701   1HB   LYS  63          1HB       LYS  63 -13.907  -6.242   4.448
  702   2HB   LYS  63          2HB       LYS  63 -13.270  -7.246   5.744
  703   1HG   LYS  63          1HG       LYS  63 -12.983  -5.272   7.137
  704   2HG   LYS  63          2HG       LYS  63 -13.615  -4.262   5.838
  705   1HD   LYS  63          1HD       LYS  63 -15.373  -4.682   7.435
  706   2HD   LYS  63          2HD       LYS  63 -15.736  -5.542   5.938
  707   1HE   LYS  63          1HE       LYS  63 -14.883  -7.612   6.912
  708   2HE   LYS  63          2HE       LYS  63 -14.489  -6.756   8.402
  709   1HZ   LYS  63          1HZ       LYS  63 -16.772  -8.062   8.007
  710   2HZ   LYS  63          2HZ       LYS  63 -17.237  -6.515   7.505
  711   3HZ   LYS  63          3HZ       LYS  63 -16.622  -6.749   9.063
  712    H    GLU  64           H        GLU  64 -10.895  -4.145   6.177
  713    HA   GLU  64           HA       GLU  64  -9.463  -3.881   7.924
  714   1HB   GLU  64          1HB       GLU  64 -10.128  -6.780   8.477
  715   2HB   GLU  64          2HB       GLU  64  -9.317  -5.693   9.595
  716   1HG   GLU  64          1HG       GLU  64 -12.102  -5.302   8.528
  717   2HG   GLU  64          2HG       GLU  64 -11.706  -6.010  10.092
  718    H    SER  65           H        SER  65  -8.379  -4.560   5.386
  719    HA   SER  65           HA       SER  65  -6.094  -6.271   6.058
  720   1HB   SER  65          1HB       SER  65  -7.099  -5.252   3.394
  721   2HB   SER  65          2HB       SER  65  -5.618  -6.188   3.597
  722    HG   SER  65           HG       SER  65  -7.277  -7.594   3.092
  723    H    THR  66           H        THR  66  -4.003  -5.553   5.990
  724    HA   THR  66           HA       THR  66  -3.629  -2.696   6.232
  725    HB   THR  66           HB       THR  66  -1.338  -3.278   6.892
  726    HG1  THR  66           HG1      THR  66  -1.953  -5.594   5.646
  727   1HG2  THR  66          1HG2      THR  66  -2.351  -5.192   8.649
  728   2HG2  THR  66          2HG2      THR  66  -3.734  -4.183   8.223
  729   3HG2  THR  66          3HG2      THR  66  -2.283  -3.448   8.906
  730    H    LEU  67           H        LEU  67  -2.983  -1.423   4.600
  731    HA   LEU  67           HA       LEU  67  -2.089  -2.636   2.112
  732   1HB   LEU  67          1HB       LEU  67  -2.631   0.254   2.803
  733   2HB   LEU  67          2HB       LEU  67  -2.233  -0.344   1.205
  734    HG   LEU  67           HG       LEU  67  -4.725  -1.012   2.771
  735   1HD1  LEU  67          1HD1      LEU  67  -5.560   0.171   0.503
  736   2HD1  LEU  67          2HD1      LEU  67  -4.044   1.033   0.767
  737   3HD1  LEU  67          3HD1      LEU  67  -5.288   1.033   2.018
  738   1HD2  LEU  67          1HD2      LEU  67  -4.994  -1.691   0.060
  739   2HD2  LEU  67          2HD2      LEU  67  -4.940  -2.778   1.448
  740   3HD2  LEU  67          3HD2      LEU  67  -3.454  -2.368   0.592
  741    H    HIS  68           H        HIS  68  -0.013  -2.836   1.573
  742    HA   HIS  68           HA       HIS  68   2.032  -1.776   3.281
  743   1HB   HIS  68          1HB       HIS  68   2.151  -3.361   0.715
  744   2HB   HIS  68          2HB       HIS  68   3.581  -2.868   1.619
  745    HD1  HIS  68           HD1      HIS  68   3.318  -3.650   4.333
  746    HD2  HIS  68           HD2      HIS  68   1.385  -5.856   1.392
  747    HE1  HIS  68           HE1      HIS  68   2.851  -5.891   5.373
  748    HE2  HIS  68           HE2      HIS  68   1.785  -7.245   3.536
  749    H    LEU  69           H        LEU  69   3.223  -0.010   3.041
  750    HA   LEU  69           HA       LEU  69   2.973   1.505   0.524
  751   1HB   LEU  69          1HB       LEU  69   1.767   2.482   2.497
  752   2HB   LEU  69          2HB       LEU  69   3.312   2.643   3.304
  753    HG   LEU  69           HG       LEU  69   2.762   3.986   0.665
  754   1HD1  LEU  69          1HD1      LEU  69   1.047   4.707   2.247
  755   2HD1  LEU  69          2HD1      LEU  69   2.198   6.003   1.922
  756   3HD1  LEU  69          3HD1      LEU  69   2.294   5.095   3.431
  757   1HD2  LEU  69          1HD2      LEU  69   4.467   5.433   2.406
  758   2HD2  LEU  69          2HD2      LEU  69   4.868   4.660   0.872
  759   3HD2  LEU  69          3HD2      LEU  69   5.019   3.759   2.381
  760    H    VAL  70           H        VAL  70   4.851   2.435  -0.307
  761    HA   VAL  70           HA       VAL  70   7.346   1.996   1.184
  762    HB   VAL  70           HB       VAL  70   6.978   1.299  -1.736
  763   1HG1  VAL  70          1HG1      VAL  70   9.362   1.056   0.093
  764   2HG1  VAL  70          2HG1      VAL  70   9.208   2.093  -1.325
  765   3HG1  VAL  70          3HG1      VAL  70   9.259   0.337  -1.518
  766   1HG2  VAL  70          1HG2      VAL  70   5.888  -0.396  -0.515
  767   2HG2  VAL  70          2HG2      VAL  70   7.143  -0.421   0.723
  768   3HG2  VAL  70          3HG2      VAL  70   7.487  -1.037  -0.893
  769    H    LEU  71           H        LEU  71   8.325   3.903   1.388
  770    HA   LEU  71           HA       LEU  71   7.640   6.178  -0.155
  771   1HB   LEU  71          1HB       LEU  71   9.874   5.641   1.789
  772   2HB   LEU  71          2HB       LEU  71   9.693   7.183   0.977
  773    HG   LEU  71           HG       LEU  71   8.767   7.313   3.203
  774   1HD1  LEU  71          1HD1      LEU  71   6.213   7.259   1.815
  775   2HD1  LEU  71          2HD1      LEU  71   7.480   8.082   0.904
  776   3HD1  LEU  71          3HD1      LEU  71   7.085   8.610   2.540
  777   1HD2  LEU  71          1HD2      LEU  71   8.244   4.827   3.299
  778   2HD2  LEU  71          2HD2      LEU  71   6.743   5.223   2.462
  779   3HD2  LEU  71          3HD2      LEU  71   7.079   5.919   4.048
  780    H    ARG  72           H        ARG  72   8.434   6.952  -1.993
  781    HA   ARG  72           HA       ARG  72  10.286   5.430  -3.533
  782   1HB   ARG  72          1HB       ARG  72   8.446   6.694  -4.557
  783   2HB   ARG  72          2HB       ARG  72   9.165   8.199  -4.003
  784   1HG   ARG  72          1HG       ARG  72  11.098   7.824  -5.426
  785   2HG   ARG  72          2HG       ARG  72  10.421   6.282  -5.956
  786   1HD   ARG  72          1HD       ARG  72   9.202   9.008  -6.389
  787   2HD   ARG  72          2HD       ARG  72  10.013   8.026  -7.609
  788    HE   ARG  72           HE       ARG  72   7.937   6.511  -6.514
  789   1HH1  ARG  72          1HH1      ARG  72   8.372   9.375  -8.453
  790   2HH1  ARG  72          2HH1      ARG  72   6.866   9.192  -9.288
  791   1HH2  ARG  72          1HH2      ARG  72   5.954   6.266  -7.608
  792   2HH2  ARG  72          2HH2      ARG  72   5.491   7.427  -8.807
  793    H    LEU  73           H        LEU  73  12.434   5.623  -3.714
  794    HA   LEU  73           HA       LEU  73  14.570   6.276  -3.266
  795   1HB   LEU  73          1HB       LEU  73  13.440   9.064  -3.504
  796   2HB   LEU  73          2HB       LEU  73  15.106   8.578  -3.754
  797    HG   LEU  73           HG       LEU  73  12.773   7.786  -5.498
  798   1HD1  LEU  73          1HD1      LEU  73  15.077   9.625  -6.110
  799   2HD1  LEU  73          2HD1      LEU  73  13.470  10.173  -5.635
  800   3HD1  LEU  73          3HD1      LEU  73  13.686   9.270  -7.134
  801   1HD2  LEU  73          1HD2      LEU  73  15.347   7.397  -6.679
  802   2HD2  LEU  73          2HD2      LEU  73  14.069   6.217  -6.385
  803   3HD2  LEU  73          3HD2      LEU  73  15.275   6.540  -5.139
  804    H    ARG  74           H        ARG  74  14.902   9.108  -1.944
  805    HA   ARG  74           HA       ARG  74  15.407   8.186   0.654
  806   1HB   ARG  74          1HB       ARG  74  15.036  11.005  -0.372
  807   2HB   ARG  74          2HB       ARG  74  15.626  10.610   1.235
  808   1HG   ARG  74          1HG       ARG  74  17.563   9.504   0.278
  809   2HG   ARG  74          2HG       ARG  74  16.964   9.836  -1.348
  810   1HD   ARG  74          1HD       ARG  74  18.681  11.443  -0.686
  811   2HD   ARG  74          2HD       ARG  74  17.122  12.229  -0.933
  812    HE   ARG  74           HE       ARG  74  17.389  11.555   1.779
  813   1HH1  ARG  74          1HH1      ARG  74  18.718  13.745  -0.585
  814   2HH1  ARG  74          2HH1      ARG  74  19.122  14.961   0.579
  815   1HH2  ARG  74          1HH2      ARG  74  17.916  13.149   3.316
  816   2HH2  ARG  74          2HH2      ARG  74  18.664  14.623   2.798
  817    H    GLY  75           H        GLY  75  14.244   8.184   2.514
  818   1HA   GLY  75          1HA       GLY  75  11.944   9.719   3.016
  819   2HA   GLY  75          2HA       GLY  75  11.440   8.156   2.394
  820    H    GLY  76           H        GLY  76  14.124   9.033   4.554
  821   1HA   GLY  76          1HA       GLY  76  12.891   8.157   6.936
  822   2HA   GLY  76          2HA       GLY  76  13.814   6.829   6.249