*HEADER    PROTEIN BINDING                         14-FEB-06   2DEN              
*TITLE     SOLUTION STRUCTURE OF THE UBIQUITIN-ASSOCIATED DOMAIN OF              
*TITLE    2 HUMAN BMSC-UBP AND ITS COMPLEX WITH UBIQUITIN                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHIMERA OF IMMUNOGLOBULIN G BINDING PROTEIN G              
*COMPND   3 AND UBIQUITIN-LIKE PROTEIN 7;                                        
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 FRAGMENT: UBA DOMAIN;                                                
*COMPND   6 SYNONYM: BMSC-UBP, UBIQUITIN-LIKE PROTEIN SB132, BONE                
*COMPND   7 MARROW STROMAL CELL UBIQUITIN-LIKE PROTEIN;                          
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MUTATION: YES;                                                       
*COMPND  10 OTHER_DETAILS: HGB1-UBA IS A CHIMERIC PROTEIN. THE N-                
*COMPND  11 TERMINAL HISTAG IS FOR EASE OF PURIFICATION. THE GB1                 
*COMPND  12 DOMAIN IS USED FOR SOLUBILITY ENHANCEMENT. THE GB1 DOMAIN            
*COMPND  13 SEQUENCE REFERS TO THE PROTEIN WITH ACCESSION CODE P06654.;          
*COMPND  14 MOL_ID: 2;                                                           
*COMPND  15 MOLECULE: UBIQUITIN;                                                 
*COMPND  16 CHAIN: B;                                                            
*COMPND  17 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS SP. AND HOMO SAPIENS;             
*SOURCE   3 ORGANISM_COMMON: BACTERIA AND HUMAN;                                 
*SOURCE   4 GENE: BMSC-UBP;                                                      
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) CODONPLUS;                       
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHGB;                                     
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  12 ORGANISM_COMMON: HUMAN;                                              
*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: PET-3A                                    
*KEYWDS    A:ALPHA-ALPHA-ALPHA, B:BETA-BETA-HELIX-HELIX-BETA-BETA-               
*KEYWDS   2 HELIX-BETA                                                           
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    H.Y.HU, D.H.LIN, Y.G.CHANG                                            
*REVDAT   2   27-JUN-06 2DEN    1   ADD COMPLETE DATA                            
*REVDAT   1   13-JUN-06 2DEN    0                                                

! HADDOCK AIR restraints for 1st partner
!
assign ( resid 71  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 76  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 77  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 89  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 96  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 100  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
assign ( resid 104  and segid A)
       (
        ( resid 8  and segid B)
     or
        ( resid 11  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 47  and segid B)
     or
        ( resid 49  and segid B)
     or
        ( resid 51  and segid B)
     or
        ( resid 73  and segid B)
     or
        ( resid 9  and segid B)
     or
        ( resid 10  and segid B)
     or
        ( resid 35  and segid B)
     or
        ( resid 46  and segid B)
     or
        ( resid 54  and segid B)
     or
        ( resid 74  and segid B)
     or
        ( resid 75  and segid B)
     or
        ( resid 76  and segid B)
       )  2.0 2.0 0.0
!
! HADDOCK AIR restraints for 2nd partner
!
assign ( resid 8  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 11  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 46  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 47  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 49  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 51  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0
!
assign ( resid 73  and segid B)
       (
        ( resid 71  and segid A)
     or
        ( resid 76  and segid A)
     or
        ( resid 77  and segid A)
     or
        ( resid 89  and segid A)
     or
        ( resid 96  and segid A)
     or
        ( resid 100  and segid A)
     or
        ( resid 104  and segid A)
     or
        ( resid 72  and segid A)
     or
        ( resid 75  and segid A)
     or
        ( resid 79  and segid A)
     or
        ( resid 103  and segid A)
     or
        ( resid 108  and segid A)
       )  2.0 2.0 0.0



 ASSI {    4}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.700     1.700     1.700 peak     4 spectrum    2 weight  0.10000E+01 volume  0.34157E-03 ppm1      8.265 ppm2      2.211 CV     1
 OR {    4}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
 ASSI {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.600     2.600     1.400 peak     8 spectrum    2 weight  0.10000E+01 volume  0.92956E-04 ppm1      8.593 ppm2      2.417 CV     1
 OR {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
 OR {    8}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {    9}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.900     1.900     1.900 peak     9 spectrum    2 weight  0.10000E+01 volume  0.23089E-03 ppm1      8.095 ppm2      0.662 CV     1
 OR {    9}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   11}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.300     2.300     1.700 peak    11 spectrum    2 weight  0.10000E+01 volume  0.13354E-03 ppm1      8.092 ppm2      0.321 CV     1
 OR {   11}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 OR {   11}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 OR {   11}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   14}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.300     1.300     1.300 peak    14 spectrum    2 weight  0.10000E+01 volume  0.69213E-03 ppm1      8.321 ppm2      0.651 CV     1
 OR {   14}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   18}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.800     1.800     1.800 peak    18 spectrum    2 weight  0.10000E+01 volume  0.29983E-03 ppm1      7.620 ppm2      2.888 CV     1
 OR {   18}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
 ASSI {   29}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak    29 spectrum    2 weight  0.10000E+01 volume  0.25557E-03 ppm1      8.485 ppm2      1.890 CV     1
 OR {   29}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.100     3.100     2.900 peak    36 spectrum    2 weight  0.10000E+01 volume  0.98788E-03 ppm1      8.246 ppm2      0.861 CV     1
 OR {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
 OR {   36}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI {   37}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.200     1.200     1.200 peak    37 spectrum    2 weight  0.10000E+01 volume  0.86376E-03 ppm1      8.248 ppm2      0.661 CV     1
 OR {   37}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
 ASSI {   49}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.800     1.800     1.800 peak    49 spectrum    2 weight  0.10000E+01 volume  0.27278E-03 ppm1      8.412 ppm2      1.196 CV     1
 OR {   49}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
 ASSI {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.600     1.600     1.600 peak    50 spectrum    2 weight  0.10000E+01 volume  0.43001E-03 ppm1      8.488 ppm2      2.109 CV     1
 OR {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
 OR {   50}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 96   and name HB1 ))
 ASSI {   51}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.500     1.600     1.600 peak    51 spectrum    2 weight  0.10000E+01 volume  0.43181E-03 ppm1      8.340 ppm2      1.012 CV     1
 OR {   51}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
 ASSI {   54}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.700     0.900     0.900 peak    54 spectrum    2 weight  0.10000E+01 volume  0.23897E-02 ppm1      8.347 ppm2      1.426 CV     1
 OR {   54}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
 ASSI {   55}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak    55 spectrum    2 weight  0.10000E+01 volume  0.40720E-03 ppm1      8.343 ppm2      0.332 CV     1
 OR {   55}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 OR {   55}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      3.200     1.300     1.300 peak    58 spectrum    2 weight  0.10000E+01 volume  0.77420E-03 ppm1      7.420 ppm2      1.634 CV     1
 OR {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HG  ))
 OR {   58}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HG  ))

 ASSI {    3}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.300     0.600     0.600 peak     3 spectrum    1 weight  0.11000E+01 volume  0.63019E-02 ppm1      4.372 ppm2      3.648 CV     1
 ASSI {    4}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB2 ))
      2.200     0.600     0.600 peak     4 spectrum    1 weight  0.11000E+01 volume  0.82399E-02 ppm1      4.372 ppm2      3.848 CV     1
 ASSI {    8}
   (( segid "    " and resid 64   and name HB2 ))
   (( segid "    " and resid 64   and name HB1 ))
      1.800     0.400     0.400 peak     8 spectrum    1 weight  0.11000E+01 volume  0.30300E-01 ppm1      3.844 ppm2      3.651 CV     1
 ASSI {    9}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB1 ))
      2.300     0.700     0.700 peak     9 spectrum    1 weight  0.11000E+01 volume  0.59572E-02 ppm1      4.047 ppm2      1.425 CV     1
 ASSI {   10}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG1 ))
      2.100     0.500     0.500 peak    10 spectrum    1 weight  0.11000E+01 volume  0.10461E-01 ppm1      4.047 ppm2      1.561 CV     1
 OR {   10}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HG2 ))
 ASSI {   12}
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.800     0.400     0.400 peak    12 spectrum    1 weight  0.11000E+01 volume  0.27554E-01 ppm1      1.426 ppm2      1.560 CV     1
 ASSI {   13}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      2.500     0.800     0.800 peak    13 spectrum    1 weight  0.11000E+01 volume  0.33661E-02 ppm1      1.569 ppm2      4.051 CV     1
 ASSI {   15}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.600     0.900     0.900 peak    15 spectrum    1 weight  0.11000E+01 volume  0.26881E-02 ppm1      5.170 ppm2      3.084 CV     1
 ASSI {   16}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak    16 spectrum    1 weight  0.11000E+01 volume  0.46771E-02 ppm1      5.170 ppm2      3.483 CV     1
 ASSI {   17}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
      3.000     1.100     1.100 peak    17 spectrum    1 weight  0.11000E+01 volume  0.13036E-02 ppm1      5.170 ppm2      3.851 CV     1
 ASSI {   18}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HA  ))
      3.200     3.200     2.800 peak    18 spectrum    1 weight  0.11000E+01 volume  0.76258E-03 ppm1      5.159 ppm2      4.073 CV     1
 ASSI {   19}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.200     1.300     1.300 peak    19 spectrum    1 weight  0.11000E+01 volume  0.86682E-03 ppm1      5.174 ppm2      2.433 CV     1
 ASSI {   20}
   (( segid "    " and resid 66   and name HA  ))
   (  segid "    " and resid 85   and name HD2%)
      4.400     2.400     1.600 peak    20 spectrum    1 weight  0.11000E+01 volume  0.12167E-03 ppm1      5.160 ppm2      0.980 CV     1
 ASSI {   21}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.400     3.400     2.600 peak    21 spectrum    1 weight  0.11000E+01 volume  0.57457E-03 ppm1      5.173 ppm2      1.544 CV     1
 OR {   21}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   22}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      4.600     2.700     1.400 peak    22 spectrum    1 weight  0.11000E+01 volume  0.92302E-04 ppm1      5.168 ppm2      0.329 CV     1
 ASSI {   23}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      3.400     1.400     1.400 peak    23 spectrum    1 weight  0.11000E+01 volume  0.56457E-03 ppm1      5.162 ppm2      0.670 CV     1
 ASSI {   25}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      2.200     0.600     0.600 peak    25 spectrum    1 weight  0.11000E+01 volume  0.85692E-02 ppm1      3.084 ppm2      3.486 CV     1
 ASSI {   26}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.700     1.800     1.800 peak    26 spectrum    1 weight  0.11000E+01 volume  0.32048E-03 ppm1      3.089 ppm2      3.882 CV     1
 ASSI {   27}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.500     1.500     1.500 peak    27 spectrum    1 weight  0.11000E+01 volume  0.51258E-03 ppm1      3.079 ppm2      2.439 CV     1
 ASSI {   28}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 85   and name HD1%)
      3.100     1.200     1.200 peak    28 spectrum    1 weight  0.11000E+01 volume  0.90641E-03 ppm1      3.085 ppm2      0.962 CV     1
 ASSI {   29}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.800     3.800     2.200 peak    29 spectrum    1 weight  0.11000E+01 volume  0.28613E-03 ppm1      3.082 ppm2      1.534 CV     1
 OR {   29}
   (( segid "    " and resid 66   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   31}
   (( segid "    " and resid 66   and name HB1 ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.700     1.700 peak    31 spectrum    1 weight  0.11000E+01 volume  0.37584E-03 ppm1      3.090 ppm2      0.339 CV     1
 ASSI {   35}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 68   and name HD2 ))
      3.700     1.700     1.700 peak    35 spectrum    1 weight  0.11000E+01 volume  0.37104E-03 ppm1      3.487 ppm2      3.884 CV     1
 ASSI {   37}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak    37 spectrum    1 weight  0.11000E+01 volume  0.10200E-02 ppm1      3.489 ppm2      2.430 CV     1
 ASSI {   38}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 85   and name HD1%)
      3.300     1.400     1.400 peak    38 spectrum    1 weight  0.11000E+01 volume  0.66018E-03 ppm1      3.478 ppm2      0.956 CV     1
 ASSI {   39}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 88   and name HB1 ))
      3.400     3.400     2.600 peak    39 spectrum    1 weight  0.11000E+01 volume  0.60527E-03 ppm1      3.484 ppm2      1.535 CV     1
 OR {   39}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   40}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.400     1.400 peak    40 spectrum    1 weight  0.11000E+01 volume  0.65667E-03 ppm1      3.485 ppm2      0.336 CV     1
 OR {   40}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   42}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.200     0.600     0.600 peak    42 spectrum    1 weight  0.11000E+01 volume  0.78437E-02 ppm1      4.098 ppm2      2.249 CV     1
 OR {   42}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {   43}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.400     0.700     0.700 peak    43 spectrum    1 weight  0.11000E+01 volume  0.52035E-02 ppm1      4.100 ppm2      2.450 CV     1
 OR {   43}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   44}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB1 ))
      2.500     2.500     3.500 peak    44 spectrum    1 weight  0.11000E+01 volume  0.38019E-02 ppm1      4.099 ppm2      1.508 CV     1
 ASSI {   45}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.400     0.700     0.700 peak    45 spectrum    1 weight  0.11000E+01 volume  0.50925E-02 ppm1      4.099 ppm2      1.887 CV     1
 ASSI {   46}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.11000E+01 volume  0.31413E-02 ppm1      2.199 ppm2      4.106 CV     1
 ASSI {   47}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG1 ))
      2.100     0.600     0.600 peak    47 spectrum    1 weight  0.11000E+01 volume  0.93654E-02 ppm1      2.198 ppm2      2.443 CV     1
 OR {   47}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI {   49}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.600     0.800     0.800 peak    49 spectrum    1 weight  0.11000E+01 volume  0.29438E-02 ppm1      2.277 ppm2      4.103 CV     1
 ASSI {   50}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.100     0.600     0.600 peak    50 spectrum    1 weight  0.11000E+01 volume  0.91374E-02 ppm1      2.272 ppm2      2.435 CV     1
 OR {   50}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {   51}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.600     0.800     0.800 peak    51 spectrum    1 weight  0.11000E+01 volume  0.31532E-02 ppm1      2.276 ppm2      3.832 CV     1
 ASSI {   53}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB2 ))
      1.600     0.300     0.600 peak    53 spectrum    1 weight  0.11000E+01 volume  0.45275E-01 ppm1      2.445 ppm2      2.224 CV     1
 OR {   53}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
 OR {   53}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {   54}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 70   and name HB1 ))
      3.100     1.200     1.200 peak    54 spectrum    1 weight  0.11000E+01 volume  0.10207E-02 ppm1      2.440 ppm2      1.527 CV     1
 OR {   54}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 70   and name HB1 ))
 ASSI {   55}
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak    55 spectrum    1 weight  0.11000E+01 volume  0.95633E-03 ppm1      2.438 ppm2      0.854 CV     1
 OR {   55}
   (( segid "    " and resid 67   and name HG1 ))
   (  segid "    " and resid 70   and name HD1%)
 ASSI {   56}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB1 ))
      2.500     0.800     0.800 peak    56 spectrum    1 weight  0.11000E+01 volume  0.34428E-02 ppm1      4.362 ppm2      1.825 CV     1
 ASSI {   57}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HB2 ))
      2.200     0.600     0.600 peak    57 spectrum    1 weight  0.11000E+01 volume  0.79208E-02 ppm1      4.363 ppm2      2.369 CV     1
 ASSI {   58}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD1 ))
      2.900     1.000     1.000 peak    58 spectrum    1 weight  0.11000E+01 volume  0.15158E-02 ppm1      4.362 ppm2      3.831 CV     1
 OR {   58}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HD2 ))
 ASSI {   60}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak    60 spectrum    1 weight  0.11000E+01 volume  0.44441E-02 ppm1      4.363 ppm2      2.194 CV     1
 ASSI {   62}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.000     0.500     0.500 peak    62 spectrum    1 weight  0.11000E+01 volume  0.12360E-01 ppm1      1.817 ppm2      2.364 CV     1
 ASSI {   63}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.800     1.000     1.000 peak    63 spectrum    1 weight  0.11000E+01 volume  0.18759E-02 ppm1      1.822 ppm2      3.845 CV     1
 ASSI {   64}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.300     0.600     0.600 peak    64 spectrum    1 weight  0.11000E+01 volume  0.66707E-02 ppm1      1.818 ppm2      1.999 CV     1
 ASSI {   65}
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.400     0.700     0.700 peak    65 spectrum    1 weight  0.11000E+01 volume  0.42979E-02 ppm1      1.818 ppm2      2.197 CV     1
 ASSI {   68}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.900     1.100     1.100 peak    68 spectrum    1 weight  0.11000E+01 volume  0.13835E-02 ppm1      2.364 ppm2      3.856 CV     1
 OR {   68}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {   69}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.400     0.700     0.700 peak    69 spectrum    1 weight  0.11000E+01 volume  0.43524E-02 ppm1      2.364 ppm2      1.990 CV     1
 ASSI {   70}
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.500     0.800     0.800 peak    70 spectrum    1 weight  0.11000E+01 volume  0.38113E-02 ppm1      2.363 ppm2      2.191 CV     1
 ASSI {   71}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 66   and name HA  ))
      3.300     1.400     1.400 peak    71 spectrum    1 weight  0.11000E+01 volume  0.64311E-03 ppm1      3.804 ppm2      5.181 CV     1
 ASSI {   72}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.300     0.600     0.600 peak    72 spectrum    1 weight  0.11000E+01 volume  0.63388E-02 ppm1      3.806 ppm2      2.221 CV     1
 ASSI {   73}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak    73 spectrum    1 weight  0.11000E+01 volume  0.65671E-03 ppm1      3.809 ppm2      4.368 CV     1
 ASSI {   74}
   (( segid "    " and resid 68   and name HD1 ))
   (( segid "    " and resid 68   and name HB1 ))
      2.900     1.100     1.100 peak    74 spectrum    1 weight  0.11000E+01 volume  0.14444E-02 ppm1      3.815 ppm2      1.827 CV     1
 ASSI {   77}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak    77 spectrum    1 weight  0.11000E+01 volume  0.53261E-03 ppm1      3.871 ppm2      4.352 CV     1
 ASSI {   79}
   (( segid "    " and resid 68   and name HD2 ))
   (( segid "    " and resid 68   and name HG1 ))
      2.600     0.900     0.900 peak    79 spectrum    1 weight  0.11000E+01 volume  0.26434E-02 ppm1      3.868 ppm2      1.983 CV     1
 ASSI {   80}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.000     1.100     1.100 peak    80 spectrum    1 weight  0.11000E+01 volume  0.11696E-02 ppm1      1.996 ppm2      4.363 CV     1
 ASSI {   83}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HD2 ))
      2.600     0.800     0.800 peak    83 spectrum    1 weight  0.11000E+01 volume  0.30758E-02 ppm1      2.002 ppm2      3.846 CV     1
 OR {   83}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {   84}
   (( segid "    " and resid 68   and name HG1 ))
   (( segid "    " and resid 68   and name HG2 ))
      2.000     0.500     0.500 peak    84 spectrum    1 weight  0.11000E+01 volume  0.12500E-01 ppm1      1.992 ppm2      2.188 CV     1
 ASSI {   87}
   (( segid "    " and resid 68   and name HG2 ))
   (( segid "    " and resid 68   and name HD1 ))
      2.400     2.400     3.600 peak    87 spectrum    1 weight  0.11000E+01 volume  0.41704E-02 ppm1      2.178 ppm2      3.847 CV     1
 ASSI {   89}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.300     0.600     0.600 peak    89 spectrum    1 weight  0.11000E+01 volume  0.66938E-02 ppm1      4.065 ppm2      1.765 CV     1
 ASSI {   91}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HG2 ))
      2.600     2.600     3.400 peak    91 spectrum    1 weight  0.11000E+01 volume  0.27359E-02 ppm1      4.067 ppm2      2.935 CV     1
 ASSI {   92}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak    92 spectrum    1 weight  0.11000E+01 volume  0.21602E-02 ppm1      4.067 ppm2      2.105 CV     1
 ASSI {   93}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.400     1.400 peak    93 spectrum    1 weight  0.11000E+01 volume  0.69451E-03 ppm1      4.067 ppm2      0.338 CV     1
 OR {   93}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   94}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.400     1.400     1.400 peak    94 spectrum    1 weight  0.11000E+01 volume  0.56578E-03 ppm1      1.763 ppm2      3.485 CV     1
 ASSI {   96}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.100     0.600     0.600 peak    96 spectrum    1 weight  0.11000E+01 volume  0.94087E-02 ppm1      1.764 ppm2      2.437 CV     1
 ASSI {  100}
   (( segid "    " and resid 69   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.900     1.100     1.100 peak   100 spectrum    1 weight  0.11000E+01 volume  0.14082E-02 ppm1      1.761 ppm2      0.843 CV     1
 ASSI {  102}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.900     1.000     1.000 peak   102 spectrum    1 weight  0.11000E+01 volume  0.15974E-02 ppm1      2.419 ppm2      4.080 CV     1
 ASSI {  104}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.600     0.900     0.900 peak   104 spectrum    1 weight  0.11000E+01 volume  0.26310E-02 ppm1      2.426 ppm2      2.938 CV     1
 ASSI {  108}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak   108 spectrum    1 weight  0.11000E+01 volume  0.41760E-03 ppm1      2.466 ppm2      3.499 CV     1
 ASSI {  109}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HA  ))
      2.500     0.800     0.800 peak   109 spectrum    1 weight  0.11000E+01 volume  0.33350E-02 ppm1      2.463 ppm2      4.069 CV     1
 ASSI {  110}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   110 spectrum    1 weight  0.11000E+01 volume  0.45785E-02 ppm1      2.467 ppm2      1.768 CV     1
 ASSI {  111}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.000     0.500     0.500 peak   111 spectrum    1 weight  0.11000E+01 volume  0.12835E-01 ppm1      2.468 ppm2      2.936 CV     1
 ASSI {  112}
   (( segid "    " and resid 69   and name HG1 ))
   (  segid "    " and resid 88   and name HD2%)
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.11000E+01 volume  0.12618E-02 ppm1      2.465 ppm2      0.347 CV     1
 ASSI {  113}
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 88   and name HG  ))
      3.500     1.600     1.600 peak   113 spectrum    1 weight  0.11000E+01 volume  0.45788E-03 ppm1      2.460 ppm2      0.678 CV     1
 ASSI {  114}
   (( segid "    " and resid 69   and name HG1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.11000E+01 volume  0.19475E-02 ppm1      2.465 ppm2      0.845 CV     1
 ASSI {  115}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.600     1.600 peak   115 spectrum    1 weight  0.11000E+01 volume  0.38917E-03 ppm1      2.935 ppm2      3.499 CV     1
 ASSI {  117}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   117 spectrum    1 weight  0.11000E+01 volume  0.41828E-02 ppm1      2.935 ppm2      1.766 CV     1
 ASSI {  120}
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 88   and name HG  ))
      3.500     1.500     1.500 peak   120 spectrum    1 weight  0.11000E+01 volume  0.48297E-03 ppm1      2.938 ppm2      0.683 CV     1
 ASSI {  121}
   (( segid "    " and resid 69   and name HG2 ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   121 spectrum    1 weight  0.11000E+01 volume  0.16606E-02 ppm1      2.937 ppm2      0.841 CV     1
 ASSI {  124}
   (( segid "    " and resid 70   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   124 spectrum    1 weight  0.11000E+01 volume  0.36349E-02 ppm1      1.518 ppm2      3.928 CV     1
 ASSI {  126}
   (( segid "    " and resid 70   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.500     0.800     0.800 peak   126 spectrum    1 weight  0.11000E+01 volume  0.35147E-02 ppm1      1.886 ppm2      3.937 CV     1
 ASSI {  127}
   (( segid "    " and resid 70   and name HB2 ))
   (  segid "    " and resid 70   and name HD1%)
      2.300     0.700     0.700 peak   127 spectrum    1 weight  0.11000E+01 volume  0.60850E-02 ppm1      1.882 ppm2      0.857 CV     1
 ASSI {  129}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 66   and name HB2 ))
      2.800     2.800     3.200 peak   129 spectrum    1 weight  0.11000E+01 volume  0.18254E-02 ppm1      0.857 ppm2      3.498 CV     1
 ASSI {  130}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HA  ))
      2.300     2.300     3.700 peak   130 spectrum    1 weight  0.11000E+01 volume  0.55796E-02 ppm1      0.856 ppm2      3.931 CV     1
 ASSI {  131}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 70   and name HB1 ))
      2.100     0.500     0.500 peak   131 spectrum    1 weight  0.11000E+01 volume  0.10381E-01 ppm1      0.858 ppm2      1.503 CV     1
 ASSI {  132}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 81   and name HB2 ))
      2.900     1.100     1.100 peak   132 spectrum    1 weight  0.11000E+01 volume  0.13952E-02 ppm1      0.858 ppm2      2.681 CV     1
 OR {  132}
   (  segid "    " and resid 70   and name HD1%)
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  133}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      3.200     1.300     1.300 peak   133 spectrum    1 weight  0.11000E+01 volume  0.79530E-03 ppm1      0.940 ppm2      3.092 CV     1
 ASSI {  134}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.11000E+01 volume  0.49595E-02 ppm1      0.943 ppm2      3.494 CV     1
 ASSI {  136}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak   136 spectrum    1 weight  0.11000E+01 volume  0.95978E-03 ppm1      0.943 ppm2      2.450 CV     1
 OR {  136}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  137}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 70   and name HA  ))
      2.000     0.500     0.500 peak   137 spectrum    1 weight  0.11000E+01 volume  0.14908E-01 ppm1      0.944 ppm2      3.913 CV     1
 ASSI {  138}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 73   and name HG  ))
      2.100     2.100     3.900 peak   138 spectrum    1 weight  0.11000E+01 volume  0.91799E-02 ppm1      0.940 ppm2      1.807 CV     1
 ASSI {  139}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HA  ))
      2.500     0.800     0.800 peak   139 spectrum    1 weight  0.11000E+01 volume  0.36250E-02 ppm1      0.943 ppm2      4.224 CV     1
 ASSI {  140}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HB2 ))
      2.600     0.900     0.900 peak   140 spectrum    1 weight  0.11000E+01 volume  0.26932E-02 ppm1      0.945 ppm2      2.691 CV     1
 OR {  140}
   (  segid "    " and resid 70   and name HD2%)
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  141}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.11000E+01 volume  0.43224E-02 ppm1      1.465 ppm2      1.887 CV     1
 ASSI {  142}
   (( segid "    " and resid 70   and name HG  ))
   (  segid "    " and resid 70   and name HD2%)
      2.600     0.800     0.800 peak   142 spectrum    1 weight  0.11000E+01 volume  0.29714E-02 ppm1      1.468 ppm2      0.953 CV     1
 ASSI {  143}
   (( segid "    " and resid 70   and name HG  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.400     3.400     2.600 peak   143 spectrum    1 weight  0.11000E+01 volume  0.60436E-03 ppm1      1.480 ppm2      3.110 CV     1
 ASSI {  144}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 70   and name HG  ))
      3.300     3.300     2.700 peak   144 spectrum    1 weight  0.11000E+01 volume  0.66575E-03 ppm1      3.812 ppm2      1.486 CV     1
 ASSI {  145}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak   145 spectrum    1 weight  0.11000E+01 volume  0.83808E-02 ppm1      3.811 ppm2      2.211 CV     1
 OR {  145}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  146}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.600     0.800     0.800 peak   146 spectrum    1 weight  0.11000E+01 volume  0.30118E-02 ppm1      3.811 ppm2      2.444 CV     1
 OR {  146}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  147}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HA  ))
      3.300     3.300     2.700 peak   147 spectrum    1 weight  0.11000E+01 volume  0.72751E-03 ppm1      3.807 ppm2      4.388 CV     1
 ASSI {  149}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      2.400     0.700     0.700 peak   149 spectrum    1 weight  0.11000E+01 volume  0.45486E-02 ppm1      3.812 ppm2      3.112 CV     1
 ASSI {  150}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   150 spectrum    1 weight  0.11000E+01 volume  0.64576E-03 ppm1      2.169 ppm2      4.366 CV     1
 ASSI {  151}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   151 spectrum    1 weight  0.11000E+01 volume  0.26452E-02 ppm1      2.167 ppm2      3.816 CV     1
 ASSI {  152}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.300     1.400     1.400 peak   152 spectrum    1 weight  0.11000E+01 volume  0.68137E-03 ppm1      2.233 ppm2      4.356 CV     1
 ASSI {  153}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak   153 spectrum    1 weight  0.11000E+01 volume  0.27107E-02 ppm1      2.236 ppm2      3.816 CV     1
 ASSI {  154}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.300     1.300 peak   154 spectrum    1 weight  0.11000E+01 volume  0.85468E-03 ppm1      2.450 ppm2      4.368 CV     1
 OR {  154}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {  156}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      1.600     0.300     0.600 peak   156 spectrum    1 weight  0.11000E+01 volume  0.49345E-01 ppm1      2.442 ppm2      2.227 CV     1
 OR {  156}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI {  158}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.100     0.600     0.600 peak   158 spectrum    1 weight  0.11000E+01 volume  0.89749E-02 ppm1      4.147 ppm2      2.372 CV     1
 ASSI {  159}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak   159 spectrum    1 weight  0.11000E+01 volume  0.20366E-02 ppm1      4.147 ppm2      2.573 CV     1
 ASSI {  160}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak   160 spectrum    1 weight  0.11000E+01 volume  0.21697E-02 ppm1      4.146 ppm2      2.738 CV     1
 ASSI {  161}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.400     0.700     0.700 peak   161 spectrum    1 weight  0.11000E+01 volume  0.51407E-02 ppm1      4.147 ppm2      2.900 CV     1
 ASSI {  162}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 95   and name HD1%)
      3.100     3.100     2.900 peak   162 spectrum    1 weight  0.11000E+01 volume  0.10202E-02 ppm1      4.150 ppm2      0.843 CV     1
 ASSI {  163}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.11000E+01 volume  0.39168E-02 ppm1      2.099 ppm2      4.117 CV     1
 ASSI {  164}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HB2 ))
      1.900     0.400     0.400 peak   164 spectrum    1 weight  0.11000E+01 volume  0.20651E-01 ppm1      2.102 ppm2      2.359 CV     1
 ASSI {  165}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.500     0.800     0.800 peak   165 spectrum    1 weight  0.11000E+01 volume  0.39546E-02 ppm1      2.102 ppm2      2.552 CV     1
 ASSI {  166}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.700     0.900     0.900 peak   166 spectrum    1 weight  0.11000E+01 volume  0.24200E-02 ppm1      2.105 ppm2      0.842 CV     1
 ASSI {  169}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.400     0.700     0.700 peak   169 spectrum    1 weight  0.11000E+01 volume  0.52108E-02 ppm1      2.360 ppm2      2.560 CV     1
 ASSI {  170}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 95   and name HD1%)
      2.700     2.700     3.300 peak   170 spectrum    1 weight  0.11000E+01 volume  0.20430E-02 ppm1      2.357 ppm2      0.844 CV     1
 ASSI {  171}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     2.600     3.400 peak   171 spectrum    1 weight  0.11000E+01 volume  0.30242E-02 ppm1      2.397 ppm2      4.116 CV     1
 ASSI {  172}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HG2 ))
      1.800     0.400     0.400 peak   172 spectrum    1 weight  0.11000E+01 volume  0.24525E-01 ppm1      2.389 ppm2      2.566 CV     1
 ASSI {  173}
   (( segid "    " and resid 72   and name HG1 ))
   (  segid "    " and resid 95   and name HD1%)
      2.900     1.000     1.000 peak   173 spectrum    1 weight  0.11000E+01 volume  0.16128E-02 ppm1      2.383 ppm2      0.838 CV     1
 ASSI {  174}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     2.600     3.400 peak   174 spectrum    1 weight  0.11000E+01 volume  0.30590E-02 ppm1      2.578 ppm2      1.766 CV     1
 ASSI {  176}
   (( segid "    " and resid 72   and name HG2 ))
   (  segid "    " and resid 95   and name HD1%)
      3.000     1.100     1.100 peak   176 spectrum    1 weight  0.11000E+01 volume  0.11981E-02 ppm1      2.570 ppm2      0.839 CV     1
 ASSI {  177}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.500     0.800     0.800 peak   177 spectrum    1 weight  0.11000E+01 volume  0.36939E-02 ppm1      4.104 ppm2      1.383 CV     1
 ASSI {  178}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.500     0.800     0.800 peak   178 spectrum    1 weight  0.11000E+01 volume  0.34511E-02 ppm1      4.105 ppm2      2.054 CV     1
 ASSI {  179}
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 73   and name HD1%)
      2.200     0.600     0.600 peak   179 spectrum    1 weight  0.11000E+01 volume  0.84250E-02 ppm1      4.094 ppm2      0.789 CV     1
 ASSI {  180}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   180 spectrum    1 weight  0.11000E+01 volume  0.28775E-02 ppm1      4.103 ppm2      1.800 CV     1
 ASSI {  181}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   181 spectrum    1 weight  0.11000E+01 volume  0.45329E-02 ppm1      4.103 ppm2      2.325 CV     1
 OR {  181}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  182}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG1 ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.11000E+01 volume  0.12407E-02 ppm1      4.103 ppm2      2.903 CV     1
 ASSI {  183}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.200     1.300     1.300 peak   183 spectrum    1 weight  0.11000E+01 volume  0.85548E-03 ppm1      4.103 ppm2      2.709 CV     1
 ASSI {  184}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 70   and name HA  ))
      3.100     3.100     2.900 peak   184 spectrum    1 weight  0.11000E+01 volume  0.90650E-03 ppm1      1.383 ppm2      3.923 CV     1
 ASSI {  186}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      2.100     0.600     0.600 peak   186 spectrum    1 weight  0.11000E+01 volume  0.95616E-02 ppm1      1.386 ppm2      2.047 CV     1
 ASSI {  187}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD1%)
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.11000E+01 volume  0.50313E-02 ppm1      1.387 ppm2      0.798 CV     1
 OR {  187}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  189}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.900     1.000     1.000 peak   189 spectrum    1 weight  0.11000E+01 volume  0.15430E-02 ppm1      2.044 ppm2      3.913 CV     1
 ASSI {  192}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 73   and name HD2%)
      2.400     0.700     0.700 peak   192 spectrum    1 weight  0.11000E+01 volume  0.43685E-02 ppm1      2.041 ppm2      0.795 CV     1
 ASSI {  193}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   193 spectrum    1 weight  0.11000E+01 volume  0.31824E-02 ppm1      2.046 ppm2      1.782 CV     1
 ASSI {  195}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
      2.400     0.700     0.700 peak   195 spectrum    1 weight  0.11000E+01 volume  0.44919E-02 ppm1      0.781 ppm2      3.492 CV     1
 ASSI {  196}
   (  segid "    " and resid 73   and name HD2%)
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   196 spectrum    1 weight  0.11000E+01 volume  0.46936E-02 ppm1      0.778 ppm2      3.897 CV     1
 ASSI {  197}
   (  segid "    " and resid 73   and name HD2%)
   (  segid "    " and resid 88   and name HD1%)
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.11000E+01 volume  0.46702E-02 ppm1      0.776 ppm2      0.347 CV     1
 OR {  197}
   (  segid "    " and resid 73   and name HD1%)
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  198}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 70   and name HA  ))
      3.500     1.500     1.500 peak   198 spectrum    1 weight  0.11000E+01 volume  0.49329E-03 ppm1      1.791 ppm2      3.912 CV     1
 ASSI {  200}
   (( segid "    " and resid 73   and name HG  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.800     1.000     1.000 peak   200 spectrum    1 weight  0.11000E+01 volume  0.16917E-02 ppm1      1.798 ppm2      1.393 CV     1
 ASSI {  202}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD2%)
      2.400     0.700     0.700 peak   202 spectrum    1 weight  0.11000E+01 volume  0.51531E-02 ppm1      1.806 ppm2      0.809 CV     1
 OR {  202}
   (( segid "    " and resid 73   and name HG  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  203}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.500     1.600     1.600 peak   203 spectrum    1 weight  0.11000E+01 volume  0.45927E-03 ppm1      4.392 ppm2      1.379 CV     1
 ASSI {  204}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.000     1.200     1.200 peak   204 spectrum    1 weight  0.11000E+01 volume  0.11028E-02 ppm1      4.390 ppm2      3.151 CV     1
 OR {  204}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HD2 ))
 ASSI {  205}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.300     0.600     0.600 peak   205 spectrum    1 weight  0.11000E+01 volume  0.64438E-02 ppm1      4.391 ppm2      1.732 CV     1
 ASSI {  206}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.100     0.600     0.600 peak   206 spectrum    1 weight  0.11000E+01 volume  0.10064E-01 ppm1      4.392 ppm2      1.904 CV     1
 ASSI {  207}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   207 spectrum    1 weight  0.11000E+01 volume  0.15286E-02 ppm1      1.876 ppm2      3.815 CV     1
 ASSI {  208}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.700     0.900     0.900 peak   208 spectrum    1 weight  0.11000E+01 volume  0.24162E-02 ppm1      1.881 ppm2      4.394 CV     1
 ASSI {  209}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      3.000     1.100     1.100 peak   209 spectrum    1 weight  0.11000E+01 volume  0.11857E-02 ppm1      1.975 ppm2      3.813 CV     1
 ASSI {  210}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.800     1.000     1.000 peak   210 spectrum    1 weight  0.11000E+01 volume  0.16940E-02 ppm1      1.975 ppm2      4.396 CV     1
 ASSI {  213}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.300     1.300 peak   213 spectrum    1 weight  0.11000E+01 volume  0.80500E-03 ppm1      3.090 ppm2      4.404 CV     1
 ASSI {  214}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.600     0.800     0.800 peak   214 spectrum    1 weight  0.11000E+01 volume  0.30865E-02 ppm1      3.088 ppm2      1.720 CV     1
 ASSI {  215}
   (( segid "    " and resid 74   and name HD1 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak   215 spectrum    1 weight  0.11000E+01 volume  0.71933E-02 ppm1      3.089 ppm2      1.908 CV     1
 ASSI {  216}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 70   and name HG  ))
      3.300     1.400     1.400 peak   216 spectrum    1 weight  0.11000E+01 volume  0.65856E-03 ppm1      3.187 ppm2      1.479 CV     1
 ASSI {  217}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   217 spectrum    1 weight  0.11000E+01 volume  0.19920E-02 ppm1      3.189 ppm2      3.814 CV     1
 ASSI {  218}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     3.200     2.800 peak   218 spectrum    1 weight  0.11000E+01 volume  0.81095E-03 ppm1      3.188 ppm2      4.400 CV     1
 ASSI {  219}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG1 ))
      2.500     0.800     0.800 peak   219 spectrum    1 weight  0.11000E+01 volume  0.32986E-02 ppm1      3.187 ppm2      1.717 CV     1
 ASSI {  220}
   (( segid "    " and resid 74   and name HD2 ))
   (( segid "    " and resid 74   and name HG2 ))
      2.200     0.600     0.600 peak   220 spectrum    1 weight  0.11000E+01 volume  0.74190E-02 ppm1      3.189 ppm2      1.907 CV     1
 ASSI {  222}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.600     0.900     0.900 peak   222 spectrum    1 weight  0.11000E+01 volume  0.26438E-02 ppm1      1.723 ppm2      3.146 CV     1
 OR {  222}
   (( segid "    " and resid 74   and name HG1 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  224}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD2 ))
      2.600     0.900     0.900 peak   224 spectrum    1 weight  0.11000E+01 volume  0.27379E-02 ppm1      1.893 ppm2      3.137 CV     1
 OR {  224}
   (( segid "    " and resid 74   and name HG2 ))
   (( segid "    " and resid 74   and name HD1 ))
 ASSI {  225}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.100     3.100     2.900 peak   225 spectrum    1 weight  0.11000E+01 volume  0.10468E-02 ppm1      4.443 ppm2      1.876 CV     1
 ASSI {  226}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.200     0.600     0.600 peak   226 spectrum    1 weight  0.11000E+01 volume  0.76136E-02 ppm1      4.442 ppm2      2.738 CV     1
 ASSI {  228}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HB2 ))
      1.900     0.400     0.400 peak   228 spectrum    1 weight  0.11000E+01 volume  0.20459E-01 ppm1      2.738 ppm2      2.900 CV     1
 ASSI {  230}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.900     0.900 peak   230 spectrum    1 weight  0.11000E+01 volume  0.27491E-02 ppm1      2.903 ppm2      4.444 CV     1
 ASSI {  232}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      2.100     0.500     0.500 peak   232 spectrum    1 weight  0.11000E+01 volume  0.10824E-01 ppm1      4.466 ppm2      2.356 CV     1
 OR {  232}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  233}
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HG2 ))
      2.500     0.800     0.800 peak   233 spectrum    1 weight  0.11000E+01 volume  0.38734E-02 ppm1      4.464 ppm2      2.713 CV     1
 ASSI {  235}
   (( segid "    " and resid 76   and name HG1 ))
   (  segid "    " and resid 73   and name HD1%)
      3.300     1.400     1.400 peak   235 spectrum    1 weight  0.11000E+01 volume  0.63509E-03 ppm1      2.885 ppm2      0.809 CV     1
 ASSI {  236}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.11000E+01 volume  0.16553E-02 ppm1      2.888 ppm2      4.467 CV     1
 ASSI {  237}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HB1 ))
      2.400     0.700     0.700 peak   237 spectrum    1 weight  0.11000E+01 volume  0.44124E-02 ppm1      2.887 ppm2      2.339 CV     1
 OR {  237}
   (( segid "    " and resid 76   and name HG1 ))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  239}
   (( segid "    " and resid 76   and name HG2 ))
   (  segid "    " and resid 73   and name HD1%)
      3.200     3.200     2.800 peak   239 spectrum    1 weight  0.11000E+01 volume  0.76513E-03 ppm1      2.706 ppm2      0.810 CV     1
 ASSI {  241}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB2 ))
      2.400     2.400     3.600 peak   241 spectrum    1 weight  0.11000E+01 volume  0.50527E-02 ppm1      2.706 ppm2      2.339 CV     1
 OR {  241}
   (( segid "    " and resid 76   and name HG2 ))
   (( segid "    " and resid 76   and name HB1 ))
 ASSI {  242}
   (( segid "    " and resid 77   and name HA1 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.000     3.000     3.000 peak   242 spectrum    1 weight  0.11000E+01 volume  0.13348E-02 ppm1      3.698 ppm2      2.388 CV     1
 ASSI {  243}
   (( segid "    " and resid 77   and name HA1 ))
   (( segid "    " and resid 77   and name HA2 ))
      1.800     0.400     0.400 peak   243 spectrum    1 weight  0.11000E+01 volume  0.28053E-01 ppm1      3.695 ppm2      4.379 CV     1
 ASSI {  244}
   (( segid "    " and resid 77   and name HA2 ))
   (( segid "    " and resid 76   and name HB2 ))
      3.900     1.900     1.900 peak   244 spectrum    1 weight  0.11000E+01 volume  0.24723E-03 ppm1      4.378 ppm2      2.388 CV     1
 ASSI {  246}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak   246 spectrum    1 weight  0.11000E+01 volume  0.39287E-02 ppm1      4.050 ppm2      1.755 CV     1
 ASSI {  247}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.500     0.800     0.800 peak   247 spectrum    1 weight  0.11000E+01 volume  0.37991E-02 ppm1      4.046 ppm2      1.295 CV     1
 OR {  247}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  248}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.000     0.500     0.500 peak   248 spectrum    1 weight  0.11000E+01 volume  0.12287E-01 ppm1      4.052 ppm2      0.815 CV     1
 ASSI {  250}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      2.300     0.700     0.700 peak   250 spectrum    1 weight  0.11000E+01 volume  0.57035E-02 ppm1      1.746 ppm2      1.314 CV     1
 OR {  250}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  252}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.800     0.900     0.900 peak   252 spectrum    1 weight  0.11000E+01 volume  0.20199E-02 ppm1      0.774 ppm2      4.057 CV     1
 ASSI {  253}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.100     1.100 peak   253 spectrum    1 weight  0.11000E+01 volume  0.14793E-02 ppm1      0.763 ppm2      1.749 CV     1
 ASSI {  254}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.11000E+01 volume  0.46026E-02 ppm1      0.773 ppm2      1.301 CV     1
 OR {  254}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
 ASSI {  255}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 76   and name HB1 ))
      3.300     1.300     1.300 peak   255 spectrum    1 weight  0.11000E+01 volume  0.73485E-03 ppm1      1.290 ppm2      2.330 CV     1
 OR {  255}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 76   and name HB2 ))
 ASSI {  258}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 78   and name HG2%)
      2.100     0.500     0.500 peak   258 spectrum    1 weight  0.11000E+01 volume  0.10913E-01 ppm1      1.296 ppm2      0.807 CV     1
 ASSI {  260}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   260 spectrum    1 weight  0.11000E+01 volume  0.10822E-01 ppm1      0.820 ppm2      1.749 CV     1
 ASSI {  262}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 80   and name HB2 ))
      3.400     1.400     1.400 peak   262 spectrum    1 weight  0.11000E+01 volume  0.62156E-03 ppm1      0.820 ppm2      2.888 CV     1
 ASSI {  263}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.500     0.800     0.800 peak   263 spectrum    1 weight  0.11000E+01 volume  0.39067E-02 ppm1      4.443 ppm2      1.867 CV     1
 ASSI {  264}
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.200     0.600     0.600 peak   264 spectrum    1 weight  0.11000E+01 volume  0.81882E-02 ppm1      4.443 ppm2      2.262 CV     1
 ASSI {  266}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HB2 ))
      1.800     0.400     0.400 peak   266 spectrum    1 weight  0.11000E+01 volume  0.24160E-01 ppm1      1.875 ppm2      2.258 CV     1
 ASSI {  269}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.700     0.900     0.900 peak   269 spectrum    1 weight  0.11000E+01 volume  0.22923E-02 ppm1      2.264 ppm2      4.442 CV     1
 ASSI {  270}
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.300     0.700     0.700 peak   270 spectrum    1 weight  0.11000E+01 volume  0.53604E-02 ppm1      2.273 ppm2      1.875 CV     1
 ASSI {  271}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   271 spectrum    1 weight  0.11000E+01 volume  0.27768E-02 ppm1      2.359 ppm2      4.443 CV     1
 ASSI {  272}
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.300     0.600     0.600 peak   272 spectrum    1 weight  0.11000E+01 volume  0.67403E-02 ppm1      2.358 ppm2      1.875 CV     1
 ASSI {  273}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB1 ))
      2.200     0.600     0.600 peak   273 spectrum    1 weight  0.11000E+01 volume  0.85135E-02 ppm1      4.725 ppm2      2.522 CV     1
 ASSI {  274}
   (( segid "    " and resid 80   and name HA  ))
   (( segid "    " and resid 80   and name HB2 ))
      2.400     0.700     0.700 peak   274 spectrum    1 weight  0.11000E+01 volume  0.49724E-02 ppm1      4.736 ppm2      2.889 CV     1
 ASSI {  275}
   (( segid "    " and resid 80   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      3.500     1.600     1.600 peak   275 spectrum    1 weight  0.11000E+01 volume  0.45437E-03 ppm1      4.720 ppm2      0.894 CV     1
 ASSI {  277}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HB2 ))
      1.900     0.500     0.500 peak   277 spectrum    1 weight  0.11000E+01 volume  0.17068E-01 ppm1      2.521 ppm2      2.880 CV     1
 ASSI {  278}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     1.300     1.300 peak   278 spectrum    1 weight  0.11000E+01 volume  0.75002E-03 ppm1      2.524 ppm2      1.537 CV     1
 ASSI {  279}
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ))
      2.900     1.100     1.100 peak   279 spectrum    1 weight  0.11000E+01 volume  0.13389E-02 ppm1      2.519 ppm2      1.803 CV     1
 ASSI {  280}
   (( segid "    " and resid 80   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      3.000     1.100     1.100 peak   280 spectrum    1 weight  0.11000E+01 volume  0.13331E-02 ppm1      2.516 ppm2      0.892 CV     1
 ASSI {  283}
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.11000E+01 volume  0.78487E-03 ppm1      2.868 ppm2      1.532 CV     1
 ASSI {  285}
   (( segid "    " and resid 80   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.900     1.100     1.100 peak   285 spectrum    1 weight  0.11000E+01 volume  0.13457E-02 ppm1      2.879 ppm2      0.895 CV     1
 ASSI {  287}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.100     0.600     0.600 peak   287 spectrum    1 weight  0.11000E+01 volume  0.90500E-02 ppm1      4.230 ppm2      2.691 CV     1
 OR {  287}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  288}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.700     0.900     0.900 peak   288 spectrum    1 weight  0.11000E+01 volume  0.22347E-02 ppm1      4.230 ppm2      3.494 CV     1
 ASSI {  289}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.300     0.700     0.700 peak   289 spectrum    1 weight  0.11000E+01 volume  0.56837E-02 ppm1      4.229 ppm2      3.880 CV     1
 ASSI {  291}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 84   and name HB1 ))
      3.800     1.800     1.800 peak   291 spectrum    1 weight  0.11000E+01 volume  0.28132E-03 ppm1      2.689 ppm2      3.488 CV     1
 OR {  291}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  292}
   (( segid "    " and resid 81   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.400     1.400 peak   292 spectrum    1 weight  0.11000E+01 volume  0.65809E-03 ppm1      2.691 ppm2      3.902 CV     1
 OR {  292}
   (( segid "    " and resid 81   and name HB2 ))
   (( segid "    " and resid 84   and name HB2 ))
 ASSI {  293}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
      2.700     2.700     3.300 peak   293 spectrum    1 weight  0.11000E+01 volume  0.23438E-02 ppm1      4.001 ppm2      0.938 CV     1
 ASSI {  294}
   (( segid "    " and resid 82   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   294 spectrum    1 weight  0.11000E+01 volume  0.30433E-02 ppm1      2.241 ppm2      4.002 CV     1
 OR {  294}
   (( segid "    " and resid 82   and name HG1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  295}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.300     0.600     0.600 peak   295 spectrum    1 weight  0.11000E+01 volume  0.67149E-02 ppm1      3.982 ppm2      1.538 CV     1
 ASSI {  296}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   296 spectrum    1 weight  0.11000E+01 volume  0.52238E-02 ppm1      3.981 ppm2      1.812 CV     1
 ASSI {  298}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   298 spectrum    1 weight  0.11000E+01 volume  0.24871E-02 ppm1      3.990 ppm2      1.971 CV     1
 ASSI {  299}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.300     1.300     1.300 peak   299 spectrum    1 weight  0.11000E+01 volume  0.72085E-03 ppm1      3.982 ppm2      3.217 CV     1
 ASSI {  301}
   (( segid "    " and resid 83   and name HB1 ))
   (  segid "    " and resid 83   and name HD2%)
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.11000E+01 volume  0.80801E-02 ppm1      1.537 ppm2      0.914 CV     1
 OR {  301}
   (( segid "    " and resid 83   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  303}
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 80   and name HB2 ))
      2.800     0.900     0.900 peak   303 spectrum    1 weight  0.11000E+01 volume  0.20301E-02 ppm1      1.789 ppm2      2.857 CV     1
 ASSI {  304}
   (( segid "    " and resid 83   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.200     0.600     0.600 peak   304 spectrum    1 weight  0.11000E+01 volume  0.73516E-02 ppm1      1.805 ppm2      0.920 CV     1
 ASSI {  305}
   (  segid "    " and resid 83   and name HD2%)
   (( segid "    " and resid 83   and name HA  ))
      2.000     0.500     0.500 peak   305 spectrum    1 weight  0.11000E+01 volume  0.14147E-01 ppm1      0.896 ppm2      3.980 CV     1
 ASSI {  309}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HA  ))
      2.900     1.000     1.000 peak   309 spectrum    1 weight  0.11000E+01 volume  0.15712E-02 ppm1      1.449 ppm2      3.964 CV     1
 ASSI {  310}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.400     0.700     0.700 peak   310 spectrum    1 weight  0.11000E+01 volume  0.41099E-02 ppm1      1.448 ppm2      1.817 CV     1
 ASSI {  311}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     0.900     0.900 peak   311 spectrum    1 weight  0.11000E+01 volume  0.27596E-02 ppm1      1.448 ppm2      0.896 CV     1
 OR {  311}
   (( segid "    " and resid 83   and name HG  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  312}
   (( segid "    " and resid 83   and name HG  ))
   (( segid "    " and resid 102  and name HA  ))
      3.500     1.500     1.500 peak   312 spectrum    1 weight  0.11000E+01 volume  0.49321E-03 ppm1      1.460 ppm2      3.456 CV     1
 ASSI {  314}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   314 spectrum    1 weight  0.11000E+01 volume  0.17891E-02 ppm1      3.783 ppm2      0.918 CV     1
 ASSI {  315}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.11000E+01 volume  0.71519E-02 ppm1      3.781 ppm2      3.480 CV     1
 ASSI {  316}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 87   and name HB% )
      2.800     1.000     1.000 peak   316 spectrum    1 weight  0.11000E+01 volume  0.18405E-02 ppm1      3.784 ppm2      1.441 CV     1
 ASSI {  317}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      3.900     1.900     1.900 peak   317 spectrum    1 weight  0.11000E+01 volume  0.24941E-03 ppm1      3.493 ppm2      2.045 CV     1
 ASSI {  320}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 83   and name HD1%)
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.11000E+01 volume  0.29206E-02 ppm1      3.494 ppm2      0.922 CV     1
 ASSI {  321}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.000     0.500     0.500 peak   321 spectrum    1 weight  0.11000E+01 volume  0.12855E-01 ppm1      3.493 ppm2      3.863 CV     1
 ASSI {  322}
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 87   and name HB% )
      3.200     1.300     1.300 peak   322 spectrum    1 weight  0.11000E+01 volume  0.80713E-03 ppm1      3.489 ppm2      1.449 CV     1
 ASSI {  324}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 73   and name HG  ))
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.11000E+01 volume  0.29141E-03 ppm1      3.896 ppm2      1.812 CV     1
 ASSI {  326}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 83   and name HD1%)
      2.700     0.900     0.900 peak   326 spectrum    1 weight  0.11000E+01 volume  0.24230E-02 ppm1      3.893 ppm2      0.919 CV     1
 ASSI {  328}
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 87   and name HB% )
      3.400     3.400     2.600 peak   328 spectrum    1 weight  0.11000E+01 volume  0.53366E-03 ppm1      3.893 ppm2      1.432 CV     1
 ASSI {  330}
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 85   and name HD1%)
      2.000     0.500     0.500 peak   330 spectrum    1 weight  0.11000E+01 volume  0.14610E-01 ppm1      3.925 ppm2      0.959 CV     1
 ASSI {  331}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     2.900     3.100 peak   331 spectrum    1 weight  0.11000E+01 volume  0.14000E-02 ppm1      3.924 ppm2      3.531 CV     1
 ASSI {  332}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.11000E+01 volume  0.21723E-02 ppm1      3.925 ppm2      0.329 CV     1
 ASSI {  333}
   (( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   333 spectrum    1 weight  0.11000E+01 volume  0.52167E-02 ppm1      1.591 ppm2      3.933 CV     1
 ASSI {  335}
   (( segid "    " and resid 85   and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.11000E+01 volume  0.27904E-02 ppm1      1.829 ppm2      3.928 CV     1
 ASSI {  336}
   (( segid "    " and resid 85   and name HB2 ))
   (  segid "    " and resid 85   and name HD1%)
      2.400     0.700     0.700 peak   336 spectrum    1 weight  0.11000E+01 volume  0.45458E-02 ppm1      1.829 ppm2      0.958 CV     1
 ASSI {  337}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 66   and name HB1 ))
      2.800     1.000     1.000 peak   337 spectrum    1 weight  0.11000E+01 volume  0.18524E-02 ppm1      0.981 ppm2      3.083 CV     1
 ASSI {  338}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 66   and name HB2 ))
      3.000     1.100     1.100 peak   338 spectrum    1 weight  0.11000E+01 volume  0.12889E-02 ppm1      0.982 ppm2      3.493 CV     1
 ASSI {  339}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 85   and name HA  ))
      2.100     0.500     0.500 peak   339 spectrum    1 weight  0.11000E+01 volume  0.11713E-01 ppm1      0.980 ppm2      3.924 CV     1
 ASSI {  340}
   (  segid "    " and resid 85   and name HD2%)
   (( segid "    " and resid 85   and name HB1 ))
      2.200     0.600     0.600 peak   340 spectrum    1 weight  0.11000E+01 volume  0.83394E-02 ppm1      0.981 ppm2      1.587 CV     1
 ASSI {  341}
   (  segid "    " and resid 85   and name HD2%)
   (  segid "    " and resid 88   and name HD1%)
      3.000     1.100     1.100 peak   341 spectrum    1 weight  0.11000E+01 volume  0.11564E-02 ppm1      0.982 ppm2      0.343 CV     1
 OR {  341}
   (  segid "    " and resid 85   and name HD2%)
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  342}
   (( segid "    " and resid 85   and name HG  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak   342 spectrum    1 weight  0.11000E+01 volume  0.17609E-02 ppm1      1.732 ppm2      3.915 CV     1
 ASSI {  343}
   (( segid "    " and resid 85   and name HG  ))
   (  segid "    " and resid 85   and name HD1%)
      2.200     0.600     0.600 peak   343 spectrum    1 weight  0.11000E+01 volume  0.74330E-02 ppm1      1.732 ppm2      0.951 CV     1
 ASSI {  344}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.100     0.600     0.600 peak   344 spectrum    1 weight  0.11000E+01 volume  0.93062E-02 ppm1      4.018 ppm2      1.845 CV     1
 ASSI {  345}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD1 ))
      3.100     1.200     1.200 peak   345 spectrum    1 weight  0.11000E+01 volume  0.94299E-03 ppm1      4.021 ppm2      3.219 CV     1
 OR {  345}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  346}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HG1 ))
      2.400     0.700     0.700 peak   346 spectrum    1 weight  0.11000E+01 volume  0.45962E-02 ppm1      4.018 ppm2      1.599 CV     1
 ASSI {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD1 ))
      2.700     0.900     0.900 peak   348 spectrum    1 weight  0.11000E+01 volume  0.25350E-02 ppm1      1.850 ppm2      3.200 CV     1
 OR {  348}
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD2 ))
 ASSI {  349}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.11000E+01 volume  0.35964E-02 ppm1      1.994 ppm2      4.016 CV     1
 ASSI {  350}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD2 ))
      2.600     0.900     0.900 peak   350 spectrum    1 weight  0.11000E+01 volume  0.27264E-02 ppm1      1.977 ppm2      3.201 CV     1
 OR {  350}
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  351}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     2.900     3.100 peak   351 spectrum    1 weight  0.11000E+01 volume  0.13496E-02 ppm1      3.211 ppm2      4.001 CV     1
 OR {  351}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  352}
   (( segid "    " and resid 86   and name HD2 ))
   (  segid "    " and resid 83   and name HD2%)
      3.500     1.500     1.500 peak   352 spectrum    1 weight  0.11000E+01 volume  0.47741E-03 ppm1      3.225 ppm2      0.910 CV     1
 OR {  352}
   (( segid "    " and resid 86   and name HD1 ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  353}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HG1 ))
      2.400     0.700     0.700 peak   353 spectrum    1 weight  0.11000E+01 volume  0.41989E-02 ppm1      3.210 ppm2      1.592 CV     1
 OR {  353}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HG1 ))
 ASSI {  354}
   (( segid "    " and resid 86   and name HD2 ))
   (( segid "    " and resid 86   and name HG2 ))
      2.300     0.700     0.700 peak   354 spectrum    1 weight  0.11000E+01 volume  0.54840E-02 ppm1      3.217 ppm2      1.870 CV     1
 OR {  354}
   (( segid "    " and resid 86   and name HD1 ))
   (( segid "    " and resid 86   and name HG2 ))
 ASSI {  357}
   (( segid "    " and resid 86   and name HG1 ))
   (( segid "    " and resid 86   and name HG2 ))
      2.000     0.500     0.500 peak   357 spectrum    1 weight  0.11000E+01 volume  0.14162E-01 ppm1      1.600 ppm2      1.859 CV     1
 ASSI {  358}
   (( segid "    " and resid 86   and name HG2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   358 spectrum    1 weight  0.11000E+01 volume  0.19356E-02 ppm1      1.868 ppm2      4.013 CV     1
 ASSI {  362}
   (( segid "    " and resid 87   and name HA  ))
   (  segid "    " and resid 90   and name HB% )
      2.100     0.600     0.600 peak   362 spectrum    1 weight  0.11000E+01 volume  0.98328E-02 ppm1      4.022 ppm2      1.495 CV     1
 ASSI {  363}
   (  segid "    " and resid 87   and name HB% )
   (( segid "    " and resid 87   and name HA  ))
      2.100     0.500     0.500 peak   363 spectrum    1 weight  0.11000E+01 volume  0.10658E-01 ppm1      1.433 ppm2      4.016 CV     1
 ASSI {  364}
   (  segid "    " and resid 87   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      2.400     0.700     0.700 peak   364 spectrum    1 weight  0.11000E+01 volume  0.51924E-02 ppm1      1.441 ppm2      3.798 CV     1
 ASSI {  365}
   (  segid "    " and resid 87   and name HB% )
   (  segid "    " and resid 98   and name HB% )
      2.200     0.600     0.600 peak   365 spectrum    1 weight  0.11000E+01 volume  0.78112E-02 ppm1      1.434 ppm2      1.224 CV     1
 ASSI {  366}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB1 ))
      2.300     2.300     3.700 peak   366 spectrum    1 weight  0.11000E+01 volume  0.57383E-02 ppm1      3.540 ppm2      1.547 CV     1
 OR {  366}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  367}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      2.000     0.500     0.500 peak   367 spectrum    1 weight  0.11000E+01 volume  0.12287E-01 ppm1      3.540 ppm2      0.337 CV     1
 OR {  367}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  368}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 88   and name HG  ))
      2.900     1.100     1.100 peak   368 spectrum    1 weight  0.11000E+01 volume  0.14553E-02 ppm1      3.540 ppm2      0.686 CV     1
 ASSI {  369}
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.100     1.200     1.200 peak   369 spectrum    1 weight  0.11000E+01 volume  0.90376E-03 ppm1      3.539 ppm2      2.400 CV     1
 ASSI {  370}
   (( segid "    " and resid 88   and name HA  ))
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   370 spectrum    1 weight  0.11000E+01 volume  0.44781E-02 ppm1      3.539 ppm2      1.220 CV     1
 ASSI {  371}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak   371 spectrum    1 weight  0.11000E+01 volume  0.59593E-03 ppm1      1.572 ppm2      2.431 CV     1
 ASSI {  372}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak   372 spectrum    1 weight  0.11000E+01 volume  0.24701E-02 ppm1      1.571 ppm2      3.535 CV     1
 ASSI {  373}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HB2 ))
      2.100     0.500     0.500 peak   373 spectrum    1 weight  0.11000E+01 volume  0.11255E-01 ppm1      1.574 ppm2      0.321 CV     1
 ASSI {  374}
   (( segid "    " and resid 88   and name HB1 ))
   (( segid "    " and resid 88   and name HG  ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.11000E+01 volume  0.33249E-02 ppm1      1.571 ppm2      0.682 CV     1
 ASSI {  376}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.600     0.900     0.900 peak   376 spectrum    1 weight  0.11000E+01 volume  0.27524E-02 ppm1      0.318 ppm2      3.541 CV     1
 ASSI {  378}
   (( segid "    " and resid 88   and name HB2 ))
   (( segid "    " and resid 88   and name HG  ))
      2.700     0.900     0.900 peak   378 spectrum    1 weight  0.11000E+01 volume  0.23299E-02 ppm1      0.312 ppm2      0.689 CV     1
 ASSI {  379}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HB1 ))
      2.400     0.700     0.700 peak   379 spectrum    1 weight  0.11000E+01 volume  0.42451E-02 ppm1      0.351 ppm2      1.762 CV     1
 ASSI {  380}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.200     0.600     0.600 peak   380 spectrum    1 weight  0.11000E+01 volume  0.73800E-02 ppm1      0.347 ppm2      2.412 CV     1
 ASSI {  381}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 69   and name HG2 ))
      2.800     1.000     1.000 peak   381 spectrum    1 weight  0.11000E+01 volume  0.17686E-02 ppm1      0.347 ppm2      2.937 CV     1
 ASSI {  382}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak   382 spectrum    1 weight  0.11000E+01 volume  0.10179E-02 ppm1      0.347 ppm2      3.933 CV     1
 ASSI {  384}
   (  segid "    " and resid 88   and name HD2%)
   (( segid "    " and resid 88   and name HB1 ))
      2.100     2.100     3.900 peak   384 spectrum    1 weight  0.11000E+01 volume  0.10898E-01 ppm1      0.346 ppm2      1.536 CV     1
 OR {  384}
   (  segid "    " and resid 88   and name HD1%)
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {  386}
   (  segid "    " and resid 88   and name HD1%)
   (  segid "    " and resid 98   and name HB% )
      2.100     0.600     0.600 peak   386 spectrum    1 weight  0.11000E+01 volume  0.10034E-01 ppm1      0.346 ppm2      1.218 CV     1
 ASSI {  388}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 66   and name HB1 ))
      2.800     1.000     1.000 peak   388 spectrum    1 weight  0.11000E+01 volume  0.18366E-02 ppm1      0.676 ppm2      3.077 CV     1
 ASSI {  389}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 66   and name HB2 ))
      2.400     0.700     0.700 peak   389 spectrum    1 weight  0.11000E+01 volume  0.43916E-02 ppm1      0.677 ppm2      3.499 CV     1
 ASSI {  390}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak   390 spectrum    1 weight  0.11000E+01 volume  0.24079E-02 ppm1      0.685 ppm2      1.786 CV     1
 ASSI {  391}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.800     0.800 peak   391 spectrum    1 weight  0.11000E+01 volume  0.28241E-02 ppm1      0.677 ppm2      2.430 CV     1
 ASSI {  392}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 85   and name HA  ))
      2.400     0.700     0.700 peak   392 spectrum    1 weight  0.11000E+01 volume  0.48367E-02 ppm1      0.675 ppm2      3.921 CV     1
 ASSI {  394}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD1%)
      2.100     0.500     0.500 peak   394 spectrum    1 weight  0.11000E+01 volume  0.10722E-01 ppm1      0.676 ppm2      0.339 CV     1
 OR {  394}
   (( segid "    " and resid 88   and name HG  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  395}
   (( segid "    " and resid 88   and name HG  ))
   (( segid "    " and resid 95   and name HG11))
      3.500     1.500     1.500 peak   395 spectrum    1 weight  0.11000E+01 volume  0.50693E-03 ppm1      0.678 ppm2      1.213 CV     1
 ASSI {  396}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.400     0.700     0.700 peak   396 spectrum    1 weight  0.11000E+01 volume  0.42194E-02 ppm1      3.904 ppm2      2.065 CV     1
 ASSI {  397}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.400     0.700     0.700 peak   397 spectrum    1 weight  0.11000E+01 volume  0.45047E-02 ppm1      3.915 ppm2      2.315 CV     1
 ASSI {  398}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      2.300     0.700     0.700 peak   398 spectrum    1 weight  0.11000E+01 volume  0.54543E-02 ppm1      3.906 ppm2      2.479 CV     1
 OR {  398}
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  399}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HB2 ))
      1.900     0.500     0.500 peak   399 spectrum    1 weight  0.11000E+01 volume  0.18294E-01 ppm1      2.072 ppm2      2.301 CV     1
 ASSI {  400}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG1 ))
      2.200     0.600     0.600 peak   400 spectrum    1 weight  0.11000E+01 volume  0.81270E-02 ppm1      2.070 ppm2      2.478 CV     1
 OR {  400}
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  401}
   (( segid "    " and resid 89   and name HB1 ))
   (  segid "    " and resid 90   and name HB% )
      3.400     1.500     1.500 peak   401 spectrum    1 weight  0.11000E+01 volume  0.54173E-03 ppm1      2.073 ppm2      1.491 CV     1
 ASSI {  402}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak   402 spectrum    1 weight  0.11000E+01 volume  0.19098E-02 ppm1      2.314 ppm2      4.034 CV     1
 ASSI {  405}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG2 ))
      2.100     0.600     0.600 peak   405 spectrum    1 weight  0.11000E+01 volume  0.99186E-02 ppm1      2.307 ppm2      2.467 CV     1
 OR {  405}
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI {  406}
   (( segid "    " and resid 89   and name HB2 ))
   (  segid "    " and resid 90   and name HB% )
      3.500     1.600     1.600 peak   406 spectrum    1 weight  0.11000E+01 volume  0.45733E-03 ppm1      2.302 ppm2      1.492 CV     1
 ASSI {  407}
   (( segid "    " and resid 89   and name HG2 ))
   (  segid "    " and resid 85   and name HD1%)
      3.000     1.200     1.200 peak   407 spectrum    1 weight  0.11000E+01 volume  0.10968E-02 ppm1      2.483 ppm2      0.949 CV     1
 ASSI {  408}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HB2 ))
      3.000     3.000     3.000 peak   408 spectrum    1 weight  0.11000E+01 volume  0.11019E-02 ppm1      2.476 ppm2      1.533 CV     1
 OR {  408}
   (( segid "    " and resid 89   and name HG2 ))
   (( segid "    " and resid 88   and name HB1 ))
 OR {  408}
   (( segid "    " and resid 89   and name HG1 ))
   (( segid "    " and resid 88   and name HB1 ))
 ASSI {  410}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG1 ))
      3.300     3.300     2.700 peak   410 spectrum    1 weight  0.11000E+01 volume  0.69724E-03 ppm1      4.194 ppm2      2.487 CV     1
 OR {  410}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 89   and name HG2 ))
 ASSI {  411}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 90   and name HB% )
      2.000     0.500     0.500 peak   411 spectrum    1 weight  0.11000E+01 volume  0.15212E-01 ppm1      4.189 ppm2      1.493 CV     1
 ASSI {  412}
   (( segid "    " and resid 90   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      3.400     1.400     1.400 peak   412 spectrum    1 weight  0.11000E+01 volume  0.59870E-03 ppm1      4.188 ppm2      1.016 CV     1
 OR {  412}
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  413}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      2.100     0.600     0.600 peak   413 spectrum    1 weight  0.11000E+01 volume  0.97772E-02 ppm1      4.509 ppm2      1.009 CV     1
 ASSI {  415}
   (( segid "    " and resid 91   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.600     1.600     1.600 peak   415 spectrum    1 weight  0.11000E+01 volume  0.41145E-03 ppm1      4.510 ppm2      2.813 CV     1
 ASSI {  416}
   (( segid "    " and resid 91   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      2.800     2.800     3.200 peak   416 spectrum    1 weight  0.11000E+01 volume  0.19691E-02 ppm1      4.507 ppm2      1.406 CV     1
 ASSI {  417}
   (( segid "    " and resid 91   and name HB  ))
   (  segid "    " and resid 91   and name HG2%)
      2.300     0.700     0.700 peak   417 spectrum    1 weight  0.11000E+01 volume  0.56638E-02 ppm1      4.585 ppm2      1.010 CV     1
 OR {  417}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  418}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.000     1.100     1.100 peak   418 spectrum    1 weight  0.11000E+01 volume  0.12876E-02 ppm1      4.585 ppm2      2.562 CV     1
 ASSI {  419}
   (( segid "    " and resid 91   and name HB  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     0.900     0.900 peak   419 spectrum    1 weight  0.11000E+01 volume  0.26614E-02 ppm1      4.584 ppm2      2.813 CV     1
 ASSI {  421}
   (( segid "    " and resid 91   and name HG1 ))
   (( segid "    " and resid 94   and name HB2 ))
      3.100     1.200     1.200 peak   421 spectrum    1 weight  0.11000E+01 volume  0.90137E-03 ppm1      1.008 ppm2      2.816 CV     1
 OR {  421}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 94   and name HB2 ))
 ASSI {  422}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 97   and name HA  ))
      2.900     1.100     1.100 peak   422 spectrum    1 weight  0.11000E+01 volume  0.14823E-02 ppm1      1.009 ppm2      4.139 CV     1
 ASSI {  423}
   (  segid "    " and resid 91   and name HG2%)
   (  segid "    " and resid 97   and name HB% )
      2.000     0.500     0.500 peak   423 spectrum    1 weight  0.11000E+01 volume  0.13044E-01 ppm1      1.007 ppm2      1.390 CV     1
 ASSI {  424}
   (  segid "    " and resid 91   and name HG2%)
   (( segid "    " and resid 101  and name HB2 ))
      3.200     1.300     1.300 peak   424 spectrum    1 weight  0.11000E+01 volume  0.81313E-03 ppm1      1.009 ppm2      1.866 CV     1
 ASSI {  425}
   (( segid "    " and resid 92   and name HA1 ))
   (( segid "    " and resid 91   and name HA  ))
      3.100     1.200     1.200 peak   425 spectrum    1 weight  0.11000E+01 volume  0.95103E-03 ppm1      3.883 ppm2      4.507 CV     1
 OR {  425}
   (( segid "    " and resid 92   and name HA2 ))
   (( segid "    " and resid 91   and name HA  ))
 ASSI {  426}
   (( segid "    " and resid 93   and name HA1 ))
   (  segid "    " and resid 88   and name HD2%)
      2.500     0.800     0.800 peak   426 spectrum    1 weight  0.11000E+01 volume  0.37098E-02 ppm1      2.387 ppm2      0.338 CV     1
 ASSI {  427}
   (( segid "    " and resid 93   and name HA1 ))
   (( segid "    " and resid 93   and name HA2 ))
      1.900     0.500     0.500 peak   427 spectrum    1 weight  0.11000E+01 volume  0.16725E-01 ppm1      2.385 ppm2      3.607 CV     1
 ASSI {  428}
   (( segid "    " and resid 93   and name HA2 ))
   (  segid "    " and resid 88   and name HD2%)
      2.600     0.900     0.900 peak   428 spectrum    1 weight  0.11000E+01 volume  0.26791E-02 ppm1      3.608 ppm2      0.336 CV     1
 ASSI {  430}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.200     0.600     0.600 peak   430 spectrum    1 weight  0.11000E+01 volume  0.78699E-02 ppm1      4.548 ppm2      2.558 CV     1
 ASSI {  431}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.400     0.700     0.700 peak   431 spectrum    1 weight  0.11000E+01 volume  0.47232E-02 ppm1      4.547 ppm2      2.821 CV     1
 ASSI {  432}
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 95   and name HG11))
      3.600     1.600     1.600 peak   432 spectrum    1 weight  0.11000E+01 volume  0.39219E-03 ppm1      4.545 ppm2      1.218 CV     1
 ASSI {  433}
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      3.700     1.700     1.700 peak   433 spectrum    1 weight  0.11000E+01 volume  0.33104E-03 ppm1      4.554 ppm2      1.389 CV     1
 ASSI {  437}
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 97   and name HB% )
      2.400     0.700     0.700 peak   437 spectrum    1 weight  0.11000E+01 volume  0.41722E-02 ppm1      2.823 ppm2      1.396 CV     1
 ASSI {  438}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     3.400     2.600 peak   438 spectrum    1 weight  0.11000E+01 volume  0.55241E-03 ppm1      3.455 ppm2      2.442 CV     1
 ASSI {  439}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 88   and name HD2%)
      2.400     0.700     0.700 peak   439 spectrum    1 weight  0.11000E+01 volume  0.48630E-02 ppm1      3.461 ppm2      0.343 CV     1
 OR {  439}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  440}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HB  ))
      2.400     0.700     0.700 peak   440 spectrum    1 weight  0.11000E+01 volume  0.48750E-02 ppm1      3.460 ppm2      1.826 CV     1
 ASSI {  441}
   (( segid "    " and resid 95   and name HA  ))
   (  segid "    " and resid 95   and name HD1%)
      2.200     0.600     0.600 peak   441 spectrum    1 weight  0.11000E+01 volume  0.75208E-02 ppm1      3.461 ppm2      0.847 CV     1
 ASSI {  442}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG11))
      2.200     0.600     0.600 peak   442 spectrum    1 weight  0.11000E+01 volume  0.86524E-02 ppm1      3.460 ppm2      1.215 CV     1
 ASSI {  443}
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 95   and name HG12))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.11000E+01 volume  0.18461E-02 ppm1      3.468 ppm2      1.570 CV     1
 ASSI {  444}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 72   and name HG2 ))
      3.300     3.300     2.700 peak   444 spectrum    1 weight  0.11000E+01 volume  0.73242E-03 ppm1      1.826 ppm2      2.444 CV     1
 OR {  444}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 72   and name HG1 ))
 ASSI {  445}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 88   and name HD2%)
      3.700     1.700     1.700 peak   445 spectrum    1 weight  0.11000E+01 volume  0.36000E-03 ppm1      1.824 ppm2      0.329 CV     1
 OR {  445}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  447}
   (( segid "    " and resid 95   and name HB  ))
   (  segid "    " and resid 95   and name HD1%)
      2.300     2.300     3.700 peak   447 spectrum    1 weight  0.11000E+01 volume  0.62875E-02 ppm1      1.827 ppm2      0.858 CV     1
 ASSI {  449}
   (( segid "    " and resid 95   and name HB  ))
   (( segid "    " and resid 95   and name HG12))
      2.400     0.700     0.700 peak   449 spectrum    1 weight  0.11000E+01 volume  0.47187E-02 ppm1      1.826 ppm2      1.591 CV     1
 ASSI {  450}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak   450 spectrum    1 weight  0.11000E+01 volume  0.29655E-02 ppm1      0.840 ppm2      4.073 CV     1
 ASSI {  451}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 69   and name HB2 ))
      2.400     0.700     0.700 peak   451 spectrum    1 weight  0.11000E+01 volume  0.44831E-02 ppm1      0.841 ppm2      2.419 CV     1
 ASSI {  454}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 73   and name HG  ))
      2.400     0.700     0.700 peak   454 spectrum    1 weight  0.11000E+01 volume  0.41949E-02 ppm1      0.843 ppm2      1.803 CV     1
 ASSI {  455}
   (  segid "    " and resid 95   and name HD1%)
   (  segid "    " and resid 88   and name HD1%)
      2.800     1.000     1.000 peak   455 spectrum    1 weight  0.11000E+01 volume  0.19191E-02 ppm1      0.839 ppm2      0.351 CV     1
 OR {  455}
   (  segid "    " and resid 95   and name HD1%)
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  457}
   (  segid "    " and resid 95   and name HD1%)
   (( segid "    " and resid 95   and name HG11))
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.11000E+01 volume  0.41363E-02 ppm1      0.842 ppm2      1.195 CV     1
 ASSI {  459}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 69   and name HB2 ))
      2.600     2.600     3.400 peak   459 spectrum    1 weight  0.11000E+01 volume  0.28129E-02 ppm1      1.202 ppm2      2.441 CV     1
 ASSI {  460}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 69   and name HG2 ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.11000E+01 volume  0.10496E-02 ppm1      1.199 ppm2      2.912 CV     1
 ASSI {  461}
   (( segid "    " and resid 95   and name HG11))
   (  segid "    " and resid 88   and name HD2%)
      3.300     1.300     1.300 peak   461 spectrum    1 weight  0.11000E+01 volume  0.73666E-03 ppm1      1.187 ppm2      0.344 CV     1
 ASSI {  463}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 95   and name HB  ))
      2.500     0.800     0.800 peak   463 spectrum    1 weight  0.11000E+01 volume  0.33172E-02 ppm1      1.199 ppm2      1.833 CV     1
 ASSI {  465}
   (( segid "    " and resid 95   and name HG11))
   (( segid "    " and resid 95   and name HG12))
      2.000     0.500     0.500 peak   465 spectrum    1 weight  0.11000E+01 volume  0.14288E-01 ppm1      1.198 ppm2      1.586 CV     1
 ASSI {  466}
   (( segid "    " and resid 95   and name HG12))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     3.000     3.000 peak   466 spectrum    1 weight  0.11000E+01 volume  0.13217E-02 ppm1      1.583 ppm2      2.439 CV     1
 ASSI {  467}
   (( segid "    " and resid 95   and name HG12))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.11000E+01 volume  0.86523E-03 ppm1      1.583 ppm2      2.912 CV     1
 ASSI {  468}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 88   and name HD2%)
      3.200     1.300     1.300 peak   468 spectrum    1 weight  0.11000E+01 volume  0.80921E-03 ppm1      1.581 ppm2      0.354 CV     1
 OR {  468}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  470}
   (( segid "    " and resid 95   and name HG12))
   (  segid "    " and resid 95   and name HD1%)
      2.300     0.600     0.600 peak   470 spectrum    1 weight  0.11000E+01 volume  0.63255E-02 ppm1      1.583 ppm2      0.852 CV     1
 ASSI {  472}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
      2.800     1.000     1.000 peak   472 spectrum    1 weight  0.11000E+01 volume  0.18452E-02 ppm1      0.867 ppm2      2.104 CV     1
 ASSI {  473}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.11000E+01 volume  0.23030E-02 ppm1      0.870 ppm2      2.408 CV     1
 ASSI {  474}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 73   and name HA  ))
      3.300     3.300     2.700 peak   474 spectrum    1 weight  0.11000E+01 volume  0.68106E-03 ppm1      0.870 ppm2      4.095 CV     1
 ASSI {  475}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HA  ))
      2.600     0.800     0.800 peak   475 spectrum    1 weight  0.11000E+01 volume  0.28778E-02 ppm1      0.870 ppm2      3.464 CV     1
 ASSI {  476}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HB  ))
      2.300     0.700     0.700 peak   476 spectrum    1 weight  0.11000E+01 volume  0.58572E-02 ppm1      0.870 ppm2      1.822 CV     1
 ASSI {  477}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 95   and name HG11))
      2.500     0.800     0.800 peak   477 spectrum    1 weight  0.11000E+01 volume  0.38140E-02 ppm1      0.870 ppm2      1.206 CV     1
 ASSI {  478}
   (  segid "    " and resid 95   and name HG2%)
   (( segid "    " and resid 96   and name HA  ))
      2.900     1.100     1.100 peak   478 spectrum    1 weight  0.11000E+01 volume  0.13407E-02 ppm1      0.870 ppm2      3.935 CV     1
 ASSI {  479}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB1 ))
      2.200     0.600     0.600 peak   479 spectrum    1 weight  0.11000E+01 volume  0.81202E-02 ppm1      3.943 ppm2      2.133 CV     1
 OR {  479}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB2 ))
 ASSI {  480}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG2 ))
      2.500     0.800     0.800 peak   480 spectrum    1 weight  0.11000E+01 volume  0.37097E-02 ppm1      3.941 ppm2      2.406 CV     1
 OR {  480}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
 ASSI {  481}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.800     2.800     3.200 peak   481 spectrum    1 weight  0.11000E+01 volume  0.17237E-02 ppm1      3.933 ppm2      1.467 CV     1
 ASSI {  482}
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.600     0.800     0.800 peak   482 spectrum    1 weight  0.11000E+01 volume  0.30682E-02 ppm1      3.937 ppm2      1.864 CV     1
 ASSI {  483}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
      2.300     0.700     0.700 peak   483 spectrum    1 weight  0.11000E+01 volume  0.55282E-02 ppm1      3.942 ppm2      0.825 CV     1
 OR {  483}
   (( segid "    " and resid 96   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
 ASSI {  484}
   (( segid "    " and resid 96   and name HB2 ))
   (  segid "    " and resid 95   and name HD1%)
      3.200     3.200     2.800 peak   484 spectrum    1 weight  0.11000E+01 volume  0.84953E-03 ppm1      2.134 ppm2      0.831 CV     1
 OR {  484}
   (( segid "    " and resid 96   and name HB1 ))
   (  segid "    " and resid 95   and name HD1%)
 ASSI {  487}
   (( segid "    " and resid 96   and name HG2 ))
   (  segid "    " and resid 99   and name HD2%)
      2.900     1.000     1.000 peak   487 spectrum    1 weight  0.11000E+01 volume  0.15514E-02 ppm1      2.413 ppm2      0.819 CV     1
 OR {  487}
   (( segid "    " and resid 96   and name HG2 ))
   (  segid "    " and resid 99   and name HD1%)
 OR {  487}
   (( segid "    " and resid 96   and name HG1 ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  489}
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 97   and name HB% )
      2.000     0.500     0.500 peak   489 spectrum    1 weight  0.11000E+01 volume  0.12552E-01 ppm1      4.145 ppm2      1.393 CV     1
 ASSI {  490}
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.11000E+01 volume  0.45640E-02 ppm1      4.147 ppm2      2.086 CV     1
 ASSI {  491}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 91   and name HB  ))
      2.100     0.500     0.500 peak   491 spectrum    1 weight  0.11000E+01 volume  0.10541E-01 ppm1      1.391 ppm2      4.576 CV     1
 ASSI {  493}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 94   and name HB1 ))
      2.600     0.800     0.800 peak   493 spectrum    1 weight  0.11000E+01 volume  0.30693E-02 ppm1      1.387 ppm2      2.555 CV     1
 ASSI {  496}
   (  segid "    " and resid 97   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      3.300     1.400     1.400 peak   496 spectrum    1 weight  0.11000E+01 volume  0.62946E-03 ppm1      1.387 ppm2      3.806 CV     1
 ASSI {  499}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 88   and name HD1%)
      3.500     1.500     1.500 peak   499 spectrum    1 weight  0.11000E+01 volume  0.50278E-03 ppm1      3.799 ppm2      0.354 CV     1
 ASSI {  500}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 91   and name HG2%)
      2.300     0.600     0.600 peak   500 spectrum    1 weight  0.11000E+01 volume  0.63775E-02 ppm1      3.793 ppm2      1.002 CV     1
 ASSI {  502}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.700     0.900     0.900 peak   502 spectrum    1 weight  0.11000E+01 volume  0.23615E-02 ppm1      3.796 ppm2      1.573 CV     1
 ASSI {  503}
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.800     2.800     3.200 peak   503 spectrum    1 weight  0.11000E+01 volume  0.16563E-02 ppm1      3.789 ppm2      1.860 CV     1
 ASSI {  504}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 101  and name HD2%)
      2.600     0.900     0.900 peak   504 spectrum    1 weight  0.11000E+01 volume  0.25964E-02 ppm1      3.794 ppm2      0.839 CV     1
 OR {  504}
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  506}
   (  segid "    " and resid 98   and name HB% )
   (( segid "    " and resid 95   and name HA  ))
      2.200     2.200     3.800 peak   506 spectrum    1 weight  0.11000E+01 volume  0.78853E-02 ppm1      1.212 ppm2      3.492 CV     1
 ASSI {  507}
   (  segid "    " and resid 98   and name HB% )
   (( segid "    " and resid 98   and name HA  ))
      2.100     0.500     0.500 peak   507 spectrum    1 weight  0.11000E+01 volume  0.11275E-01 ppm1      1.220 ppm2      3.790 CV     1
 ASSI {  508}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.300     0.700     0.700 peak   508 spectrum    1 weight  0.11000E+01 volume  0.55134E-02 ppm1      3.717 ppm2      1.452 CV     1
 ASSI {  509}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.11000E+01 volume  0.34904E-02 ppm1      3.713 ppm2      1.867 CV     1
 ASSI {  510}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD1%)
      2.100     0.500     0.500 peak   510 spectrum    1 weight  0.11000E+01 volume  0.10434E-01 ppm1      3.713 ppm2      0.806 CV     1
 OR {  510}
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  511}
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 102  and name HB  ))
      2.200     0.600     0.600 peak   511 spectrum    1 weight  0.11000E+01 volume  0.83933E-02 ppm1      3.715 ppm2      1.609 CV     1
 ASSI {  514}
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      1.900     0.500     0.500 peak   514 spectrum    1 weight  0.11000E+01 volume  0.16834E-01 ppm1      1.454 ppm2      1.860 CV     1
 ASSI {  515}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD1%)
      2.300     0.600     0.600 peak   515 spectrum    1 weight  0.11000E+01 volume  0.66585E-02 ppm1      1.453 ppm2      0.820 CV     1
 OR {  515}
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  517}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
      2.700     2.700     3.300 peak   517 spectrum    1 weight  0.11000E+01 volume  0.20956E-02 ppm1      0.800 ppm2      2.345 CV     1
 OR {  517}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  518}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 84   and name HB1 ))
      2.900     2.900     3.100 peak   518 spectrum    1 weight  0.11000E+01 volume  0.13707E-02 ppm1      0.798 ppm2      3.483 CV     1
 OR {  518}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 84   and name HB1 ))
 ASSI {  519}
   (  segid "    " and resid 99   and name HD1%)
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   519 spectrum    1 weight  0.11000E+01 volume  0.45588E-02 ppm1      0.804 ppm2      1.222 CV     1
 OR {  519}
   (  segid "    " and resid 99   and name HD2%)
   (  segid "    " and resid 98   and name HB% )
 ASSI {  521}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB2 ))
      2.000     2.000     4.000 peak   521 spectrum    1 weight  0.11000E+01 volume  0.13016E-01 ppm1      0.800 ppm2      1.800 CV     1
 OR {  521}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HB1 ))
 OR {  521}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {  522}
   (  segid "    " and resid 99   and name HD2%)
   (( segid "    " and resid 99   and name HG  ))
      2.000     0.500     0.500 peak   522 spectrum    1 weight  0.11000E+01 volume  0.13182E-01 ppm1      0.803 ppm2      1.662 CV     1
 OR {  522}
   (  segid "    " and resid 99   and name HD1%)
   (( segid "    " and resid 99   and name HG  ))
 ASSI {  523}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HA  ))
      3.000     1.100     1.100 peak   523 spectrum    1 weight  0.11000E+01 volume  0.11916E-02 ppm1      1.665 ppm2      3.734 CV     1
 ASSI {  524}
   (( segid "    " and resid 99   and name HG  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.100     0.600     0.600 peak   524 spectrum    1 weight  0.11000E+01 volume  0.10055E-01 ppm1      1.662 ppm2      1.862 CV     1
 ASSI {  526}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.000     0.500     0.500 peak   526 spectrum    1 weight  0.11000E+01 volume  0.12356E-01 ppm1      4.007 ppm2      2.082 CV     1
 OR {  526}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
 ASSI {  527}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.900     1.100     1.100 peak   527 spectrum    1 weight  0.11000E+01 volume  0.13411E-02 ppm1      4.020 ppm2      3.015 CV     1
 ASSI {  528}
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.300     1.300     1.300 peak   528 spectrum    1 weight  0.11000E+01 volume  0.74352E-03 ppm1      4.009 ppm2      3.298 CV     1
 ASSI {  531}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 99   and name HB1 ))
      3.100     1.200     1.200 peak   531 spectrum    1 weight  0.11000E+01 volume  0.10847E-02 ppm1      2.379 ppm2      1.446 CV     1
 OR {  531}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 99   and name HB1 ))
 ASSI {  532}
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HA  ))
      2.500     0.800     0.800 peak   532 spectrum    1 weight  0.11000E+01 volume  0.32586E-02 ppm1      2.369 ppm2      4.014 CV     1
 OR {  532}
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HA  ))
 ASSI {  534}
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.300     0.700     0.700 peak   534 spectrum    1 weight  0.11000E+01 volume  0.55954E-02 ppm1      4.111 ppm2      1.865 CV     1
 ASSI {  537}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.600     0.800     0.800 peak   537 spectrum    1 weight  0.11000E+01 volume  0.29760E-02 ppm1      1.571 ppm2      4.122 CV     1
 ASSI {  538}
   (( segid "    " and resid 101  and name HB1 ))
   (( segid "    " and resid 101  and name HB2 ))
      2.000     0.500     0.500 peak   538 spectrum    1 weight  0.11000E+01 volume  0.12858E-01 ppm1      1.574 ppm2      1.851 CV     1
 ASSI {  539}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD2%)
      2.500     0.800     0.800 peak   539 spectrum    1 weight  0.11000E+01 volume  0.36053E-02 ppm1      1.563 ppm2      0.838 CV     1
 OR {  539}
   (( segid "    " and resid 101  and name HB1 ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  541}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD1%)
      2.700     0.900     0.900 peak   541 spectrum    1 weight  0.11000E+01 volume  0.24228E-02 ppm1      1.870 ppm2      0.841 CV     1
 OR {  541}
   (( segid "    " and resid 101  and name HB2 ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  542}
   (  segid "    " and resid 101  and name HD1%)
   (( segid "    " and resid 101  and name HB2 ))
      2.200     0.600     0.600 peak   542 spectrum    1 weight  0.11000E+01 volume  0.76634E-02 ppm1      0.858 ppm2      1.877 CV     1
 ASSI {  543}
   (  segid "    " and resid 101  and name HD2%)
   (  segid "    " and resid 87   and name HB% )
      2.100     2.100     3.900 peak   543 spectrum    1 weight  0.11000E+01 volume  0.11810E-01 ppm1      0.803 ppm2      1.431 CV     1
 ASSI {  544}
   (  segid "    " and resid 101  and name HD2%)
   (  segid "    " and resid 97   and name HB% )
      2.100     2.100     3.900 peak   544 spectrum    1 weight  0.11000E+01 volume  0.10366E-01 ppm1      0.798 ppm2      1.373 CV     1
 ASSI {  546}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 100  and name HB1 ))
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.11000E+01 volume  0.16758E-02 ppm1      0.808 ppm2      2.069 CV     1
 OR {  546}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 100  and name HB2 ))
 ASSI {  548}
   (  segid "    " and resid 101  and name HD2%)
   (( segid "    " and resid 101  and name HA  ))
      2.100     0.500     0.500 peak   548 spectrum    1 weight  0.11000E+01 volume  0.11178E-01 ppm1      0.808 ppm2      4.115 CV     1
 ASSI {  549}
   (( segid "    " and resid 101  and name HG  ))
   (( segid "    " and resid 101  and name HA  ))
      3.000     1.100     1.100 peak   549 spectrum    1 weight  0.11000E+01 volume  0.11984E-02 ppm1      1.656 ppm2      4.115 CV     1
 ASSI {  550}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 83   and name HD2%)
      2.500     0.800     0.800 peak   550 spectrum    1 weight  0.11000E+01 volume  0.33794E-02 ppm1      3.437 ppm2      0.899 CV     1
 ASSI {  552}
   (( segid "    " and resid 102  and name HA  ))
   (  segid "    " and resid 102  and name HD1%)
      2.300     2.300     3.700 peak   552 spectrum    1 weight  0.11000E+01 volume  0.61838E-02 ppm1      3.436 ppm2      0.525 CV     1
 ASSI {  553}
   (( segid "    " and resid 102  and name HA  ))
   (( segid "    " and resid 102  and name HG11))
      2.200     0.600     0.600 peak   553 spectrum    1 weight  0.11000E+01 volume  0.87841E-02 ppm1      3.438 ppm2      0.663 CV     1
 ASSI {  555}
   (( segid "    " and resid 102  and name HB  ))
   (( segid "    " and resid 102  and name HA  ))
      2.800     1.000     1.000 peak   555 spectrum    1 weight  0.11000E+01 volume  0.16676E-02 ppm1      1.595 ppm2      3.442 CV     1
 ASSI {  557}
   (( segid "    " and resid 102  and name HB  ))
   (  segid "    " and resid 102  and name HG2%)
      2.300     0.700     0.700 peak   557 spectrum    1 weight  0.11000E+01 volume  0.62486E-02 ppm1      1.593 ppm2      0.683 CV     1
 ASSI {  558}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 87   and name HA  ))
      3.600     1.600     1.600 peak   558 spectrum    1 weight  0.11000E+01 volume  0.39951E-03 ppm1      0.520 ppm2      4.013 CV     1
 ASSI {  559}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 99   and name HA  ))
      3.000     1.100     1.100 peak   559 spectrum    1 weight  0.11000E+01 volume  0.12692E-02 ppm1      0.517 ppm2      3.732 CV     1
 ASSI {  561}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 102  and name HB  ))
      2.000     0.500     0.500 peak   561 spectrum    1 weight  0.11000E+01 volume  0.12636E-01 ppm1      0.518 ppm2      1.600 CV     1
 ASSI {  562}
   (  segid "    " and resid 102  and name HD1%)
   (( segid "    " and resid 103  and name HA  ))
      2.900     2.900     3.100 peak   562 spectrum    1 weight  0.11000E+01 volume  0.14491E-02 ppm1      0.517 ppm2      4.619 CV     1
 ASSI {  563}
   (( segid "    " and resid 102  and name HG11))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak   563 spectrum    1 weight  0.11000E+01 volume  0.10026E-02 ppm1      0.664 ppm2      3.772 CV     1
 ASSI {  566}
   (( segid "    " and resid 102  and name HG12))
   (( segid "    " and resid 102  and name HA  ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.11000E+01 volume  0.20794E-02 ppm1      1.631 ppm2      3.443 CV     1
 ASSI {  567}
   (( segid "    " and resid 102  and name HG12))
   (( segid "    " and resid 102  and name HG11))
      2.000     0.500     0.500 peak   567 spectrum    1 weight  0.11000E+01 volume  0.13022E-01 ppm1      1.632 ppm2      0.668 CV     1
 ASSI {  568}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 83   and name HG  ))
      2.200     0.600     0.600 peak   568 spectrum    1 weight  0.11000E+01 volume  0.78625E-02 ppm1      0.681 ppm2      1.434 CV     1
 ASSI {  569}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HA  ))
      2.500     0.800     0.800 peak   569 spectrum    1 weight  0.11000E+01 volume  0.34934E-02 ppm1      0.680 ppm2      3.442 CV     1
 ASSI {  570}
   (  segid "    " and resid 102  and name HG2%)
   (( segid "    " and resid 102  and name HG12))
      1.900     0.500     0.500 peak   570 spectrum    1 weight  0.11000E+01 volume  0.17841E-01 ppm1      0.681 ppm2      1.620 CV     1
 ASSI {  571}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 102  and name HB  ))
      3.600     1.600     1.600 peak   571 spectrum    1 weight  0.11000E+01 volume  0.40259E-03 ppm1      4.620 ppm2      1.597 CV     1
 ASSI {  573}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.500     0.800     0.800 peak   573 spectrum    1 weight  0.11000E+01 volume  0.33570E-02 ppm1      4.616 ppm2      3.013 CV     1
 ASSI {  574}
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.400     0.700     0.700 peak   574 spectrum    1 weight  0.11000E+01 volume  0.50363E-02 ppm1      4.617 ppm2      3.293 CV     1
 ASSI {  577}
   (( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HB2 ))
      1.900     0.500     0.500 peak   577 spectrum    1 weight  0.11000E+01 volume  0.17516E-01 ppm1      3.011 ppm2      3.294 CV     1
 ASSI {  581}
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 104  and name HB% )
      2.100     0.500     0.500 peak   581 spectrum    1 weight  0.11000E+01 volume  0.10498E-01 ppm1      4.373 ppm2      1.537 CV     1
 ASSI {  582}
   (  segid "    " and resid 104  and name HB% )
   (( segid "    " and resid 101  and name HA  ))
      2.300     2.300     3.700 peak   582 spectrum    1 weight  0.11000E+01 volume  0.67390E-02 ppm1      1.524 ppm2      4.134 CV     1
 ASSI {  584}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 101  and name HD1%)
      3.000     1.100     1.100 peak   584 spectrum    1 weight  0.11000E+01 volume  0.12982E-02 ppm1      4.532 ppm2      0.831 CV     1
 OR {  584}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  585}
   (( segid "    " and resid 107  and name HA  ))
   (  segid "    " and resid 107  and name HB% )
      2.300     0.600     0.600 peak   585 spectrum    1 weight  0.11000E+01 volume  0.66248E-02 ppm1      4.532 ppm2      1.288 CV     1
 ASSI {  586}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HD1 ))
      2.400     0.700     0.700 peak   586 spectrum    1 weight  0.11000E+01 volume  0.44089E-02 ppm1      4.532 ppm2      3.583 CV     1
 OR {  586}
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HD2 ))
 ASSI {  588}
   (  segid "    " and resid 107  and name HB% )
   (( segid "    " and resid 108  and name HD1 ))
      3.000     1.100     1.100 peak   588 spectrum    1 weight  0.11000E+01 volume  0.11696E-02 ppm1      1.285 ppm2      3.514 CV     1
 ASSI {  589}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB1 ))
      3.000     1.100     1.100 peak   589 spectrum    1 weight  0.11000E+01 volume  0.12466E-02 ppm1      4.194 ppm2      1.883 CV     1
 ASSI {  590}
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HB2 ))
      2.800     1.000     1.000 peak   590 spectrum    1 weight  0.11000E+01 volume  0.19109E-02 ppm1      4.195 ppm2      2.145 CV     1
 ASSI {  591}
   (( segid "    " and resid 108  and name HD1 ))
   (  segid "    " and resid 101  and name HD2%)
      3.300     1.300     1.300 peak   591 spectrum    1 weight  0.11000E+01 volume  0.70452E-03 ppm1      3.518 ppm2      0.814 CV     1
 ASSI {  592}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.900     0.900 peak   592 spectrum    1 weight  0.11000E+01 volume  0.25457E-02 ppm1      3.521 ppm2      4.533 CV     1
 ASSI {  594}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HB2 ))
      3.600     1.600     1.600 peak   594 spectrum    1 weight  0.11000E+01 volume  0.41324E-03 ppm1      3.521 ppm2      2.152 CV     1
 ASSI {  595}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HG2 ))
      2.500     0.800     0.800 peak   595 spectrum    1 weight  0.11000E+01 volume  0.39374E-02 ppm1      3.522 ppm2      1.913 CV     1
 OR {  595}
   (( segid "    " and resid 108  and name HD1 ))
   (( segid "    " and resid 108  and name HG1 ))
 ASSI {  596}
   (( segid "    " and resid 108  and name HD2 ))
   (  segid "    " and resid 101  and name HD2%)
      3.300     1.400     1.400 peak   596 spectrum    1 weight  0.11000E+01 volume  0.68615E-03 ppm1      3.627 ppm2      0.819 CV     1
 ASSI {  597}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 107  and name HA  ))
      2.600     0.800     0.800 peak   597 spectrum    1 weight  0.11000E+01 volume  0.28110E-02 ppm1      3.626 ppm2      4.535 CV     1
 ASSI {  598}
   (( segid "    " and resid 108  and name HD2 ))
   (  segid "    " and resid 107  and name HB% )
      3.500     1.500     1.500 peak   598 spectrum    1 weight  0.11000E+01 volume  0.49392E-03 ppm1      3.626 ppm2      1.292 CV     1
 ASSI {  599}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HB2 ))
      3.500     1.500     1.500 peak   599 spectrum    1 weight  0.11000E+01 volume  0.50639E-03 ppm1      3.626 ppm2      2.144 CV     1
 ASSI {  600}
   (( segid "    " and resid 108  and name HD2 ))
   (( segid "    " and resid 108  and name HG1 ))
      2.500     0.800     0.800 peak   600 spectrum    1 weight  0.11000E+01 volume  0.37232E-02 ppm1      3.628 ppm2      1.908 CV     1
 ASSI {    5}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      4.100     2.100     1.900 peak     5 spectrum    2 weight  0.10000E+01 volume  0.18225E-03 ppm1      8.257 ppm2      1.986 CV     1
 ASSI {    7}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
      4.200     2.200     1.800 peak     7 spectrum    2 weight  0.10000E+01 volume  0.16834E-03 ppm1      8.595 ppm2      0.955 CV     1
 OR {    7}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
 ASSI {   13}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.900     1.900     1.900 peak    13 spectrum    2 weight  0.10000E+01 volume  0.26228E-03 ppm1      7.949 ppm2      0.890 CV     1
 ASSI {   15}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.100     3.100     2.900 peak    15 spectrum    2 weight  0.10000E+01 volume  0.10595E-02 ppm1      8.778 ppm2      0.660 CV     1
 ASSI {   16}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak    16 spectrum    2 weight  0.10000E+01 volume  0.39820E-03 ppm1      8.775 ppm2      0.321 CV     1
 OR {   16}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   19}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.000     2.000     2.000 peak    19 spectrum    2 weight  0.10000E+01 volume  0.20228E-03 ppm1      7.949 ppm2      0.331 CV     1
 OR {   19}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {   22}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.400     1.500     1.500 peak    22 spectrum    2 weight  0.10000E+01 volume  0.53582E-03 ppm1      7.670 ppm2      1.896 CV     1
 OR {   22}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   23}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak    23 spectrum    2 weight  0.10000E+01 volume  0.32544E-03 ppm1      8.003 ppm2      8.533 CV     1
 ASSI {   24}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      3.800     1.800     1.800 peak    24 spectrum    2 weight  0.10000E+01 volume  0.27731E-03 ppm1      8.005 ppm2      1.887 CV     1
 OR {   24}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
 ASSI {   25}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      4.300     2.300     1.700 peak    25 spectrum    2 weight  0.10000E+01 volume  0.14069E-03 ppm1      8.007 ppm2      2.057 CV     1
 ASSI {   26}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      4.000     2.000     2.000 peak    26 spectrum    2 weight  0.10000E+01 volume  0.21023E-03 ppm1      8.556 ppm2      3.712 CV     1
 ASSI {   27}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      2.900     1.000     1.000 peak    27 spectrum    2 weight  0.10000E+01 volume  0.15567E-02 ppm1      7.179 ppm2      0.802 CV     1
 ASSI {   28}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.600     1.600     1.600 peak    28 spectrum    2 weight  0.10000E+01 volume  0.40600E-03 ppm1      7.181 ppm2      1.845 CV     1
 ASSI {   30}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.100     3.100     2.900 peak    30 spectrum    2 weight  0.10000E+01 volume  0.96367E-03 ppm1      8.197 ppm2      2.363 CV     1
 ASSI {   32}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.000     3.000     3.000 peak    32 spectrum    2 weight  0.10000E+01 volume  0.11499E-02 ppm1      8.284 ppm2      4.758 CV     1
 ASSI {   33}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.700     1.700     1.700 peak    33 spectrum    2 weight  0.10000E+01 volume  0.32761E-03 ppm1      8.288 ppm2      2.883 CV     1
 ASSI {   35}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HB1 ))
      2.600     0.800     0.800 peak    35 spectrum    2 weight  0.10000E+01 volume  0.30947E-02 ppm1      8.434 ppm2      1.586 CV     1
 ASSI {   38}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak    38 spectrum    2 weight  0.10000E+01 volume  0.49162E-03 ppm1      8.404 ppm2      0.950 CV     1
 OR {   38}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD2%)
 ASSI {   39}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.000     1.100     1.100 peak    39 spectrum    2 weight  0.10000E+01 volume  0.12878E-02 ppm1      8.404 ppm2      3.516 CV     1
 ASSI {   40}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      2.900     1.000     1.000 peak    40 spectrum    2 weight  0.10000E+01 volume  0.15383E-02 ppm1      8.406 ppm2      0.651 CV     1
 ASSI {   41}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.700     0.900     0.900 peak    41 spectrum    2 weight  0.10000E+01 volume  0.22575E-02 ppm1      8.403 ppm2      0.329 CV     1
 OR {   41}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {   42}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.700     2.700     3.300 peak    42 spectrum    2 weight  0.10000E+01 volume  0.23336E-02 ppm1      8.153 ppm2      1.522 CV     1
 ASSI {   43}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.900     1.100     1.100 peak    43 spectrum    2 weight  0.10000E+01 volume  0.13989E-02 ppm1      7.682 ppm2      3.981 CV     1
 ASSI {   44}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.400     3.400     2.600 peak    44 spectrum    2 weight  0.10000E+01 volume  0.57199E-03 ppm1      7.681 ppm2      0.801 CV     1
 ASSI {   46}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.900     1.900     1.900 peak    46 spectrum    2 weight  0.10000E+01 volume  0.26418E-03 ppm1      7.495 ppm2      0.320 CV     1
 OR {   46}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
 ASSI {   47}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      4.400     2.400     1.600 peak    47 spectrum    2 weight  0.10000E+01 volume  0.12264E-03 ppm1      7.495 ppm2      2.062 CV     1
 ASSI {   48}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.400     2.400     1.600 peak    48 spectrum    2 weight  0.10000E+01 volume  0.12585E-03 ppm1      7.498 ppm2      2.798 CV     1
 ASSI {   52}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
      2.600     0.800     0.800 peak    52 spectrum    2 weight  0.10000E+01 volume  0.31233E-02 ppm1      8.344 ppm2      0.797 CV     1
 OR {   52}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {   53}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      2.600     0.800     0.800 peak    53 spectrum    2 weight  0.10000E+01 volume  0.31139E-02 ppm1      8.345 ppm2      1.206 CV     1
 ASSI {   59}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.400     1.500     1.500 peak    59 spectrum    2 weight  0.10000E+01 volume  0.51855E-03 ppm1      7.433 ppm2      1.216 CV     1
 ASSI {   60}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.700     1.700     1.700 peak    60 spectrum    2 weight  0.10000E+01 volume  0.34141E-03 ppm1      7.434 ppm2      1.001 CV     1
 ASSI {   61}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.400     1.500     1.500 peak    61 spectrum    2 weight  0.10000E+01 volume  0.51925E-03 ppm1      7.433 ppm2      0.663 CV     1
 ASSI {   62}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.700     1.700     1.700 peak    62 spectrum    2 weight  0.10000E+01 volume  0.33565E-03 ppm1      8.123 ppm2      3.426 CV     1
 ASSI {   63}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.900     1.000     1.000 peak    63 spectrum    2 weight  0.11000E+01 volume  0.15958E-02 ppm1      8.263 ppm2      4.369 CV     1
 ASSI {   64}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.700     0.900     0.900 peak    64 spectrum    2 weight  0.11000E+01 volume  0.23295E-02 ppm1      8.590 ppm2      4.367 CV     1
 ASSI {   65}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      4.000     2.000     2.000 peak    65 spectrum    2 weight  0.11000E+01 volume  0.22626E-03 ppm1      8.097 ppm2      4.378 CV     1
 ASSI {   66}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      2.800     0.900     0.900 peak    66 spectrum    2 weight  0.11000E+01 volume  0.19850E-02 ppm1      8.263 ppm2      3.639 CV     1
 ASSI {   67}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.600     1.600     1.600 peak    67 spectrum    2 weight  0.11000E+01 volume  0.40186E-03 ppm1      8.591 ppm2      3.642 CV     1
 ASSI {   68}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB1 ))
      3.800     1.800     1.800 peak    68 spectrum    2 weight  0.11000E+01 volume  0.27211E-03 ppm1      8.093 ppm2      3.666 CV     1
 ASSI {   69}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.300     1.400     1.400 peak    69 spectrum    2 weight  0.11000E+01 volume  0.63423E-03 ppm1      8.591 ppm2      3.846 CV     1
 ASSI {   70}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HB2 ))
      3.400     1.400     1.400 peak    70 spectrum    2 weight  0.11000E+01 volume  0.58721E-03 ppm1      8.094 ppm2      3.849 CV     1
 ASSI {   71}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.600     1.600     1.600 peak    71 spectrum    2 weight  0.11000E+01 volume  0.40069E-03 ppm1      8.591 ppm2      8.257 CV     1
 ASSI {   72}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak    72 spectrum    2 weight  0.11000E+01 volume  0.11887E-02 ppm1      8.591 ppm2      4.047 CV     1
 ASSI {   73}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.600     0.900     0.900 peak    73 spectrum    2 weight  0.11000E+01 volume  0.27297E-02 ppm1      8.094 ppm2      4.041 CV     1
 ASSI {   74}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.100     1.200     1.200 peak    74 spectrum    2 weight  0.11000E+01 volume  0.10062E-02 ppm1      8.591 ppm2      1.428 CV     1
 ASSI {   75}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.200     1.300     1.300 peak    75 spectrum    2 weight  0.11000E+01 volume  0.77739E-03 ppm1      8.092 ppm2      1.431 CV     1
 ASSI {   76}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      4.000     2.000     2.000 peak    76 spectrum    2 weight  0.11000E+01 volume  0.19805E-03 ppm1      8.259 ppm2      1.582 CV     1
 OR {   76}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   77}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      2.700     0.900     0.900 peak    77 spectrum    2 weight  0.11000E+01 volume  0.20396E-02 ppm1      8.592 ppm2      1.562 CV     1
 OR {   77}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG2 ))
      3.000     1.100     1.100 peak    78 spectrum    2 weight  0.11000E+01 volume  0.12333E-02 ppm1      8.094 ppm2      1.564 CV     1
 OR {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG1 ))
 ASSI {   80}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.800     2.900     1.200 peak    80 spectrum    2 weight  0.11000E+01 volume  0.67185E-04 ppm1      8.593 ppm2      5.160 CV     1
 ASSI {   81}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.700     0.900     0.900 peak    81 spectrum    2 weight  0.11000E+01 volume  0.21224E-02 ppm1      8.094 ppm2      5.153 CV     1
 ASSI {   82}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    2 weight  0.11000E+01 volume  0.95731E-03 ppm1      7.959 ppm2      5.153 CV     1
 ASSI {   83}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.800     1.800     1.800 peak    83 spectrum    2 weight  0.11000E+01 volume  0.30263E-03 ppm1      8.318 ppm2      5.159 CV     1
 ASSI {   84}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.500     2.600     1.500 peak    84 spectrum    2 weight  0.11000E+01 volume  0.97993E-04 ppm1      8.777 ppm2      5.155 CV     1
 ASSI {   85}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.700     2.700     1.300 peak    85 spectrum    2 weight  0.11000E+01 volume  0.84504E-04 ppm1      8.591 ppm2      3.076 CV     1
 ASSI {   86}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.000     1.200     1.200 peak    86 spectrum    2 weight  0.11000E+01 volume  0.10967E-02 ppm1      8.094 ppm2      3.066 CV     1
 ASSI {   87}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      3.900     1.900     1.900 peak    87 spectrum    2 weight  0.11000E+01 volume  0.25283E-03 ppm1      7.958 ppm2      3.071 CV     1
 ASSI {   88}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB1 ))
      4.200     2.200     1.800 peak    88 spectrum    2 weight  0.11000E+01 volume  0.16684E-03 ppm1      8.781 ppm2      3.076 CV     1
 ASSI {   89}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.100     1.200     1.200 peak    89 spectrum    2 weight  0.11000E+01 volume  0.10111E-02 ppm1      8.095 ppm2      3.460 CV     1
 ASSI {   90}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak    90 spectrum    2 weight  0.11000E+01 volume  0.29300E-03 ppm1      7.957 ppm2      3.468 CV     1
 ASSI {   91}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.800     1.800     1.800 peak    91 spectrum    2 weight  0.11000E+01 volume  0.29224E-03 ppm1      8.775 ppm2      3.472 CV     1
 ASSI {   92}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.200     2.200     1.800 peak    92 spectrum    2 weight  0.11000E+01 volume  0.15107E-03 ppm1      8.589 ppm2      6.987 CV     1
 ASSI {   93}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.400     1.400     1.400 peak    93 spectrum    2 weight  0.11000E+01 volume  0.55236E-03 ppm1      8.094 ppm2      6.994 CV     1
 ASSI {   94}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.300     2.300     1.700 peak    94 spectrum    2 weight  0.11000E+01 volume  0.14553E-03 ppm1      7.959 ppm2      6.988 CV     1
 ASSI {   95}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.000     2.000     2.000 peak    95 spectrum    2 weight  0.11000E+01 volume  0.21420E-03 ppm1      8.319 ppm2      6.982 CV     1
 ASSI {   96}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      4.300     4.300     1.700 peak    96 spectrum    2 weight  0.11000E+01 volume  0.13448E-03 ppm1      8.780 ppm2      6.983 CV     1
 ASSI {   97}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.700     1.700     1.700 peak    97 spectrum    2 weight  0.11000E+01 volume  0.33896E-03 ppm1      8.152 ppm2      6.985 CV     1
 ASSI {   98}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 66   and name HD1 ))
      3.700     1.700     1.700 peak    98 spectrum    2 weight  0.11000E+01 volume  0.32159E-03 ppm1      8.411 ppm2      6.984 CV     1
 ASSI {   99}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 66   and name HE1 ))
      4.100     2.100     1.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.18985E-03 ppm1      8.153 ppm2     10.002 CV     1
 ASSI {  100}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HE3 ))
      4.600     2.600     1.400 peak   100 spectrum    2 weight  0.11000E+01 volume  0.94838E-04 ppm1      8.590 ppm2      7.479 CV     1
 ASSI {  101}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HE3 ))
      3.400     1.500     1.500 peak   101 spectrum    2 weight  0.11000E+01 volume  0.52167E-03 ppm1      8.095 ppm2      7.476 CV     1
 ASSI {  102}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.200     1.300     1.300 peak   102 spectrum    2 weight  0.11000E+01 volume  0.80266E-03 ppm1      8.590 ppm2      8.090 CV     1
 ASSI {  103}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     0.900     0.900 peak   103 spectrum    2 weight  0.11000E+01 volume  0.21186E-02 ppm1      7.960 ppm2      4.081 CV     1
 ASSI {  104}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.700     2.700     3.300 peak   104 spectrum    2 weight  0.11000E+01 volume  0.20783E-02 ppm1      8.318 ppm2      4.081 CV     1
 ASSI {  105}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.000     1.000 peak   105 spectrum    2 weight  0.11000E+01 volume  0.14836E-02 ppm1      8.778 ppm2      4.090 CV     1
 ASSI {  106}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.400     1.400 peak   106 spectrum    2 weight  0.11000E+01 volume  0.56230E-03 ppm1      8.080 ppm2      4.096 CV     1
 ASSI {  107}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.000     2.000     2.000 peak   107 spectrum    2 weight  0.11000E+01 volume  0.20145E-03 ppm1      8.092 ppm2      2.239 CV     1
 OR {  107}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI {  108}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.500     2.500     3.500 peak   108 spectrum    2 weight  0.11000E+01 volume  0.35078E-02 ppm1      7.960 ppm2      2.220 CV     1
 ASSI {  109}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      2.900     1.100     1.100 peak   109 spectrum    2 weight  0.11000E+01 volume  0.13688E-02 ppm1      7.957 ppm2      2.436 CV     1
 OR {  109}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  110}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.000     1.100     1.100 peak   110 spectrum    2 weight  0.11000E+01 volume  0.12218E-02 ppm1      8.093 ppm2      7.955 CV     1
 ASSI {  111}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.500     1.500     1.500 peak   111 spectrum    2 weight  0.11000E+01 volume  0.49614E-03 ppm1      8.319 ppm2      4.352 CV     1
 ASSI {  112}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.600     2.600     1.400 peak   112 spectrum    2 weight  0.11000E+01 volume  0.94820E-04 ppm1      8.773 ppm2      4.355 CV     1
 ASSI {  113}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.400     1.500     1.500 peak   113 spectrum    2 weight  0.11000E+01 volume  0.54377E-03 ppm1      8.081 ppm2      4.348 CV     1
 ASSI {  114}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.800     1.800     1.800 peak   114 spectrum    2 weight  0.11000E+01 volume  0.28817E-03 ppm1      7.622 ppm2      4.368 CV     1
 ASSI {  115}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      3.200     3.200     2.800 peak   115 spectrum    2 weight  0.11000E+01 volume  0.73703E-03 ppm1      7.611 ppm2      1.801 CV     1
 ASSI {  116}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak   116 spectrum    2 weight  0.11000E+01 volume  0.22622E-02 ppm1      7.959 ppm2      3.821 CV     1
 OR {  116}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 68   and name HD1 ))
 ASSI {  117}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HD2 ))
      2.700     0.900     0.900 peak   117 spectrum    2 weight  0.11000E+01 volume  0.22491E-02 ppm1      8.318 ppm2      3.841 CV     1
 ASSI {  118}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG1 ))
      3.400     1.500     1.500 peak   118 spectrum    2 weight  0.11000E+01 volume  0.53635E-03 ppm1      8.321 ppm2      1.992 CV     1
 ASSI {  119}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 68   and name HG2 ))
      3.000     3.000     3.000 peak   119 spectrum    2 weight  0.11000E+01 volume  0.11826E-02 ppm1      8.318 ppm2      2.184 CV     1
 ASSI {  120}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.900     0.900 peak   120 spectrum    2 weight  0.11000E+01 volume  0.25398E-02 ppm1      7.622 ppm2      4.085 CV     1
 ASSI {  121}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     2.600     3.400 peak   121 spectrum    2 weight  0.11000E+01 volume  0.29219E-02 ppm1      8.320 ppm2      1.788 CV     1
 ASSI {  122}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.600     1.600     1.600 peak   122 spectrum    2 weight  0.11000E+01 volume  0.39775E-03 ppm1      8.092 ppm2      2.410 CV     1
 ASSI {  123}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.500     0.800     0.800 peak   123 spectrum    2 weight  0.11000E+01 volume  0.32231E-02 ppm1      8.319 ppm2      2.402 CV     1
 ASSI {  124}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.000     1.100     1.100 peak   124 spectrum    2 weight  0.11000E+01 volume  0.13067E-02 ppm1      8.778 ppm2      2.413 CV     1
 ASSI {  125}
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      3.200     1.300     1.300 peak   125 spectrum    2 weight  0.11000E+01 volume  0.78481E-03 ppm1      8.317 ppm2      2.924 CV     1
 ASSI {  126}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.200     2.200     1.800 peak   126 spectrum    2 weight  0.11000E+01 volume  0.15885E-03 ppm1      8.790 ppm2      2.936 CV     1
 ASSI {  127}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   127 spectrum    2 weight  0.11000E+01 volume  0.16330E-02 ppm1      8.777 ppm2      8.322 CV     1
 ASSI {  128}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.200     1.800 peak   128 spectrum    2 weight  0.11000E+01 volume  0.15881E-03 ppm1      7.616 ppm2      8.319 CV     1
 ASSI {  129}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak   129 spectrum    2 weight  0.11000E+01 volume  0.16516E-02 ppm1      8.777 ppm2      3.907 CV     1
 ASSI {  130}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.200     1.200 peak   130 spectrum    2 weight  0.11000E+01 volume  0.86797E-03 ppm1      7.950 ppm2      3.920 CV     1
 ASSI {  131}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 70   and name HB1 ))
      3.400     1.500     1.500 peak   131 spectrum    2 weight  0.11000E+01 volume  0.55050E-03 ppm1      8.542 ppm2      1.506 CV     1
 ASSI {  132}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.700     0.900     0.900 peak   132 spectrum    2 weight  0.11000E+01 volume  0.20156E-02 ppm1      8.779 ppm2      1.860 CV     1
 ASSI {  133}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HB2 ))
      2.800     1.000     1.000 peak   133 spectrum    2 weight  0.11000E+01 volume  0.18766E-02 ppm1      8.081 ppm2      1.875 CV     1
 ASSI {  134}
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.100     1.200     1.200 peak   134 spectrum    2 weight  0.11000E+01 volume  0.10242E-02 ppm1      8.777 ppm2      0.861 CV     1
 ASSI {  135}
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 70   and name HD1%)
      3.400     1.400     1.400 peak   135 spectrum    2 weight  0.11000E+01 volume  0.58089E-03 ppm1      8.081 ppm2      0.838 CV     1
 ASSI {  136}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.600     0.800     0.800 peak   136 spectrum    2 weight  0.11000E+01 volume  0.30084E-02 ppm1      8.777 ppm2      1.486 CV     1
 ASSI {  137}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HG  ))
      2.900     1.100     1.100 peak   137 spectrum    2 weight  0.11000E+01 volume  0.13105E-02 ppm1      8.081 ppm2      1.479 CV     1
 ASSI {  139}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      2.800     1.000     1.000 peak   139 spectrum    2 weight  0.11000E+01 volume  0.16230E-02 ppm1      8.081 ppm2      8.779 CV     1
 ASSI {  141}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   141 spectrum    2 weight  0.11000E+01 volume  0.17607E-02 ppm1      8.081 ppm2      3.809 CV     1
 ASSI {  142}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak   142 spectrum    2 weight  0.11000E+01 volume  0.79578E-03 ppm1      7.620 ppm2      3.808 CV     1
 ASSI {  143}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.700     1.700 peak   143 spectrum    2 weight  0.11000E+01 volume  0.37061E-03 ppm1      7.949 ppm2      3.814 CV     1
 ASSI {  144}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.900     1.000     1.000 peak   144 spectrum    2 weight  0.11000E+01 volume  0.15171E-02 ppm1      8.540 ppm2      3.815 CV     1
 ASSI {  145}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.600     1.600     1.600 peak   145 spectrum    2 weight  0.11000E+01 volume  0.42890E-03 ppm1      8.789 ppm2      2.198 CV     1
 OR {  145}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.400     0.700     0.700 peak   146 spectrum    2 weight  0.11000E+01 volume  0.44118E-02 ppm1      8.082 ppm2      2.191 CV     1
 OR {  146}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  147}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.000     1.000 peak   147 spectrum    2 weight  0.11000E+01 volume  0.15676E-02 ppm1      8.081 ppm2      2.420 CV     1
 OR {  147}
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  149}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      2.700     0.900     0.900 peak   149 spectrum    2 weight  0.11000E+01 volume  0.21550E-02 ppm1      7.620 ppm2      8.081 CV     1
 ASSI {  150}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.600     0.800     0.800 peak   150 spectrum    2 weight  0.11000E+01 volume  0.29034E-02 ppm1      7.620 ppm2      4.136 CV     1
 ASSI {  151}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.000     1.000 peak   151 spectrum    2 weight  0.11000E+01 volume  0.15401E-02 ppm1      8.535 ppm2      4.143 CV     1
 ASSI {  152}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.500     0.800     0.800 peak   152 spectrum    2 weight  0.11000E+01 volume  0.36329E-02 ppm1      7.621 ppm2      2.114 CV     1
 ASSI {  153}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.300     3.300     2.700 peak   153 spectrum    2 weight  0.11000E+01 volume  0.68326E-03 ppm1      7.670 ppm2      2.096 CV     1
 ASSI {  154}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.400     2.400     3.600 peak   154 spectrum    2 weight  0.11000E+01 volume  0.48479E-02 ppm1      7.621 ppm2      2.350 CV     1
 ASSI {  155}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak   155 spectrum    2 weight  0.11000E+01 volume  0.13709E-02 ppm1      7.948 ppm2      2.357 CV     1
 ASSI {  156}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak   156 spectrum    2 weight  0.11000E+01 volume  0.17818E-02 ppm1      7.621 ppm2      2.558 CV     1
 ASSI {  157}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      3.700     1.700     1.700 peak   157 spectrum    2 weight  0.11000E+01 volume  0.32788E-03 ppm1      8.779 ppm2      7.623 CV     1
 ASSI {  159}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak   159 spectrum    2 weight  0.11000E+01 volume  0.21981E-02 ppm1      7.950 ppm2      7.622 CV     1
 ASSI {  160}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.600     0.900     0.900 peak   160 spectrum    2 weight  0.11000E+01 volume  0.24890E-02 ppm1      7.949 ppm2      4.091 CV     1
 ASSI {  161}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   161 spectrum    2 weight  0.11000E+01 volume  0.12654E-02 ppm1      8.544 ppm2      4.103 CV     1
 ASSI {  162}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   162 spectrum    2 weight  0.11000E+01 volume  0.12317E-02 ppm1      8.515 ppm2      4.110 CV     1
 ASSI {  163}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak   163 spectrum    2 weight  0.11000E+01 volume  0.11991E-02 ppm1      7.675 ppm2      4.094 CV     1
 ASSI {  164}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.800     1.000     1.000 peak   164 spectrum    2 weight  0.11000E+01 volume  0.16869E-02 ppm1      7.949 ppm2      1.372 CV     1
 ASSI {  165}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      3.000     1.100     1.100 peak   165 spectrum    2 weight  0.11000E+01 volume  0.12720E-02 ppm1      8.541 ppm2      1.379 CV     1
 ASSI {  166}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.600     0.900     0.900 peak   166 spectrum    2 weight  0.11000E+01 volume  0.25610E-02 ppm1      7.949 ppm2      2.038 CV     1
 ASSI {  167}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.100     1.200     1.200 peak   167 spectrum    2 weight  0.11000E+01 volume  0.96870E-03 ppm1      7.621 ppm2      0.816 CV     1
 OR {  167}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  168}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
      2.600     0.900     0.900 peak   168 spectrum    2 weight  0.11000E+01 volume  0.26180E-02 ppm1      7.948 ppm2      0.782 CV     1
 OR {  168}
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
 ASSI {  169}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD2%)
      3.000     1.100     1.100 peak   169 spectrum    2 weight  0.11000E+01 volume  0.12181E-02 ppm1      8.546 ppm2      0.786 CV     1
 OR {  169}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HD1%)
 ASSI {  170}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG  ))
      2.600     0.800     0.800 peak   170 spectrum    2 weight  0.11000E+01 volume  0.29612E-02 ppm1      7.950 ppm2      1.783 CV     1
 ASSI {  172}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak   172 spectrum    2 weight  0.11000E+01 volume  0.22150E-02 ppm1      8.543 ppm2      7.954 CV     1
 ASSI {  173}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak   173 spectrum    2 weight  0.11000E+01 volume  0.32246E-02 ppm1      8.535 ppm2      4.389 CV     1
 ASSI {  174}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HD1 ))
      3.300     1.300     1.300 peak   174 spectrum    2 weight  0.11000E+01 volume  0.72183E-03 ppm1      8.543 ppm2      3.108 CV     1
 ASSI {  175}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG1 ))
      2.700     0.900     0.900 peak   175 spectrum    2 weight  0.11000E+01 volume  0.23454E-02 ppm1      8.541 ppm2      1.725 CV     1
 ASSI {  176}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG2 ))
      2.300     0.700     0.700 peak   176 spectrum    2 weight  0.11000E+01 volume  0.60472E-02 ppm1      8.541 ppm2      1.895 CV     1
 ASSI {  177}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak   177 spectrum    2 weight  0.11000E+01 volume  0.50443E-03 ppm1      7.616 ppm2      8.532 CV     1
 ASSI {  179}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.600     0.800     0.800 peak   179 spectrum    2 weight  0.11000E+01 volume  0.28555E-02 ppm1      8.534 ppm2      4.436 CV     1
 ASSI {  180}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.700     0.900     0.900 peak   180 spectrum    2 weight  0.11000E+01 volume  0.23483E-02 ppm1      8.524 ppm2      2.725 CV     1
 ASSI {  181}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      2.600     0.800     0.800 peak   181 spectrum    2 weight  0.11000E+01 volume  0.30914E-02 ppm1      8.524 ppm2      2.891 CV     1
 ASSI {  182}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.700     0.900     0.900 peak   182 spectrum    2 weight  0.11000E+01 volume  0.23912E-02 ppm1      7.673 ppm2      8.526 CV     1
 ASSI {  183}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.500     0.800     0.800 peak   183 spectrum    2 weight  0.11000E+01 volume  0.31578E-02 ppm1      7.674 ppm2      4.439 CV     1
 ASSI {  184}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.500     0.800     0.800 peak   184 spectrum    2 weight  0.11000E+01 volume  0.39730E-02 ppm1      7.672 ppm2      2.324 CV     1
 ASSI {  185}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.200     1.300     1.300 peak   185 spectrum    2 weight  0.11000E+01 volume  0.76448E-03 ppm1      8.006 ppm2      2.310 CV     1
 ASSI {  186}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.400     1.500     1.500 peak   186 spectrum    2 weight  0.11000E+01 volume  0.51774E-03 ppm1      7.896 ppm2      2.309 CV     1
 ASSI {  187}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      2.700     0.900     0.900 peak   187 spectrum    2 weight  0.11000E+01 volume  0.23710E-02 ppm1      7.670 ppm2      2.877 CV     1
 ASSI {  188}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      3.600     1.600     1.600 peak   188 spectrum    2 weight  0.11000E+01 volume  0.37487E-03 ppm1      8.007 ppm2      2.887 CV     1
 ASSI {  189}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HG1 ))
      4.400     2.400     1.600 peak   189 spectrum    2 weight  0.11000E+01 volume  0.12269E-03 ppm1      7.897 ppm2      2.883 CV     1
 ASSI {  190}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      2.800     1.000     1.000 peak   190 spectrum    2 weight  0.11000E+01 volume  0.16753E-02 ppm1      7.674 ppm2      2.700 CV     1
 ASSI {  191}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG2 ))
      3.900     1.900     1.900 peak   191 spectrum    2 weight  0.11000E+01 volume  0.24285E-03 ppm1      8.007 ppm2      2.702 CV     1
 ASSI {  193}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak   193 spectrum    2 weight  0.11000E+01 volume  0.24891E-02 ppm1      8.008 ppm2      7.674 CV     1
 ASSI {  194}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      3.100     1.200     1.200 peak   194 spectrum    2 weight  0.11000E+01 volume  0.94502E-03 ppm1      7.897 ppm2      7.685 CV     1
 ASSI {  195}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      3.900     1.900     1.900 peak   195 spectrum    2 weight  0.11000E+01 volume  0.23337E-03 ppm1      7.675 ppm2      3.680 CV     1
 ASSI {  196}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      2.600     0.900     0.900 peak   196 spectrum    2 weight  0.11000E+01 volume  0.26719E-02 ppm1      8.006 ppm2      3.685 CV     1
 ASSI {  197}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA1 ))
      3.200     1.200     1.200 peak   197 spectrum    2 weight  0.11000E+01 volume  0.87358E-03 ppm1      7.897 ppm2      3.690 CV     1
 ASSI {  198}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.500     0.800     0.800 peak   198 spectrum    2 weight  0.11000E+01 volume  0.36649E-02 ppm1      8.010 ppm2      4.385 CV     1
 ASSI {  199}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HA2 ))
      2.600     0.900     0.900 peak   199 spectrum    2 weight  0.11000E+01 volume  0.27267E-02 ppm1      7.896 ppm2      4.377 CV     1
 ASSI {  201}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak   201 spectrum    2 weight  0.11000E+01 volume  0.14214E-02 ppm1      7.897 ppm2      4.043 CV     1
 ASSI {  202}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   202 spectrum    2 weight  0.11000E+01 volume  0.58187E-02 ppm1      8.553 ppm2      4.037 CV     1
 ASSI {  203}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   203 spectrum    2 weight  0.11000E+01 volume  0.50741E-03 ppm1      7.180 ppm2      4.033 CV     1
 ASSI {  204}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.600     1.600     1.600 peak   204 spectrum    2 weight  0.11000E+01 volume  0.41706E-03 ppm1      7.669 ppm2      1.740 CV     1
 ASSI {  205}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.500     1.500     1.500 peak   205 spectrum    2 weight  0.11000E+01 volume  0.47859E-03 ppm1      8.005 ppm2      1.725 CV     1
 ASSI {  206}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.800     0.800 peak   206 spectrum    2 weight  0.11000E+01 volume  0.30585E-02 ppm1      7.896 ppm2      1.730 CV     1
 ASSI {  207}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.300     3.300     2.700 peak   207 spectrum    2 weight  0.11000E+01 volume  0.71628E-03 ppm1      7.674 ppm2      0.773 CV     1
 ASSI {  208}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      3.500     1.600     1.600 peak   208 spectrum    2 weight  0.11000E+01 volume  0.43687E-03 ppm1      8.007 ppm2      0.780 CV     1
 ASSI {  209}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.700     0.900     0.900 peak   209 spectrum    2 weight  0.11000E+01 volume  0.20915E-02 ppm1      7.896 ppm2      0.778 CV     1
 ASSI {  210}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
      2.900     1.000     1.000 peak   210 spectrum    2 weight  0.11000E+01 volume  0.15750E-02 ppm1      8.555 ppm2      0.792 CV     1
 ASSI {  211}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.700     1.800     1.800 peak   211 spectrum    2 weight  0.11000E+01 volume  0.31174E-03 ppm1      7.677 ppm2      1.285 CV     1
 ASSI {  212}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.600     1.600     1.600 peak   212 spectrum    2 weight  0.11000E+01 volume  0.42762E-03 ppm1      8.007 ppm2      1.278 CV     1
 ASSI {  213}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      2.600     0.900     0.900 peak   213 spectrum    2 weight  0.11000E+01 volume  0.27043E-02 ppm1      7.896 ppm2      1.282 CV     1
 ASSI {  214}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      3.700     1.700     1.700 peak   214 spectrum    2 weight  0.11000E+01 volume  0.35385E-03 ppm1      8.558 ppm2      1.298 CV     1
 OR {  214}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
 ASSI {  216}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak   216 spectrum    2 weight  0.11000E+01 volume  0.16555E-02 ppm1      8.554 ppm2      4.426 CV     1
 ASSI {  217}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   217 spectrum    2 weight  0.11000E+01 volume  0.82176E-03 ppm1      7.179 ppm2      4.429 CV     1
 ASSI {  218}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      2.800     1.000     1.000 peak   218 spectrum    2 weight  0.11000E+01 volume  0.18395E-02 ppm1      8.553 ppm2      1.860 CV     1
 ASSI {  219}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.700     0.900     0.900 peak   219 spectrum    2 weight  0.11000E+01 volume  0.20244E-02 ppm1      8.553 ppm2      2.264 CV     1
 ASSI {  220}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.600     1.600     1.600 peak   220 spectrum    2 weight  0.11000E+01 volume  0.40456E-03 ppm1      7.179 ppm2      2.250 CV     1
 ASSI {  221}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      3.400     1.400     1.400 peak   221 spectrum    2 weight  0.11000E+01 volume  0.57628E-03 ppm1      7.896 ppm2      8.541 CV     1
 ASSI {  223}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.800     1.800     1.800 peak   223 spectrum    2 weight  0.11000E+01 volume  0.29764E-03 ppm1      8.556 ppm2      4.750 CV     1
 ASSI {  224}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.300     1.300 peak   224 spectrum    2 weight  0.11000E+01 volume  0.68724E-03 ppm1      7.176 ppm2      4.729 CV     1
 ASSI {  225}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak   225 spectrum    2 weight  0.11000E+01 volume  0.40425E-02 ppm1      8.485 ppm2      4.723 CV     1
 ASSI {  226}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      3.300     1.400     1.400 peak   226 spectrum    2 weight  0.11000E+01 volume  0.67825E-03 ppm1      8.195 ppm2      4.720 CV     1
 ASSI {  227}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      4.200     2.200     1.800 peak   227 spectrum    2 weight  0.11000E+01 volume  0.15307E-03 ppm1      7.315 ppm2      4.729 CV     1
 ASSI {  228}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.000     1.100     1.100 peak   228 spectrum    2 weight  0.11000E+01 volume  0.12339E-02 ppm1      7.179 ppm2      2.517 CV     1
 ASSI {  229}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.300     1.300     1.300 peak   229 spectrum    2 weight  0.11000E+01 volume  0.72567E-03 ppm1      8.495 ppm2      2.539 CV     1
 ASSI {  230}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      3.900     1.900     1.900 peak   230 spectrum    2 weight  0.11000E+01 volume  0.24948E-03 ppm1      7.313 ppm2      2.521 CV     1
 ASSI {  231}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.100     2.100     1.900 peak   231 spectrum    2 weight  0.11000E+01 volume  0.18404E-03 ppm1      8.286 ppm2      2.531 CV     1
 ASSI {  232}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      4.300     2.400     1.700 peak   232 spectrum    2 weight  0.11000E+01 volume  0.12921E-03 ppm1      8.555 ppm2      2.866 CV     1
 ASSI {  233}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   233 spectrum    2 weight  0.11000E+01 volume  0.11525E-02 ppm1      7.179 ppm2      2.861 CV     1
 ASSI {  234}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.500     1.500     1.500 peak   234 spectrum    2 weight  0.11000E+01 volume  0.48005E-03 ppm1      7.315 ppm2      2.861 CV     1
 ASSI {  235}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      2.800     1.000     1.000 peak   235 spectrum    2 weight  0.11000E+01 volume  0.17451E-02 ppm1      8.553 ppm2      7.179 CV     1
 ASSI {  236}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HN  ))
      3.500     1.600     1.600 peak   236 spectrum    2 weight  0.11000E+01 volume  0.43069E-03 ppm1      8.485 ppm2      7.188 CV     1
 ASSI {  238}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.400     2.500     1.600 peak   238 spectrum    2 weight  0.11000E+01 volume  0.11271E-03 ppm1      7.179 ppm2      4.235 CV     1
 ASSI {  239}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.000     1.100     1.100 peak   239 spectrum    2 weight  0.11000E+01 volume  0.12795E-02 ppm1      8.483 ppm2      4.216 CV     1
 ASSI {  240}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   240 spectrum    2 weight  0.11000E+01 volume  0.47261E-03 ppm1      8.195 ppm2      4.219 CV     1
 ASSI {  241}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.100     1.200     1.200 peak   241 spectrum    2 weight  0.11000E+01 volume  0.93309E-03 ppm1      8.286 ppm2      4.214 CV     1
 ASSI {  242}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.600     1.600     1.600 peak   242 spectrum    2 weight  0.11000E+01 volume  0.39292E-03 ppm1      8.434 ppm2      4.215 CV     1
 ASSI {  243}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
      2.500     0.800     0.800 peak   243 spectrum    2 weight  0.11000E+01 volume  0.34021E-02 ppm1      8.485 ppm2      2.681 CV     1
 OR {  243}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
 ASSI {  244}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      2.700     0.900     0.900 peak   244 spectrum    2 weight  0.11000E+01 volume  0.19930E-02 ppm1      8.196 ppm2      2.683 CV     1
 OR {  244}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  245}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      4.500     2.500     1.500 peak   245 spectrum    2 weight  0.11000E+01 volume  0.11088E-03 ppm1      7.316 ppm2      2.694 CV     1
 OR {  245}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  246}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB2 ))
      3.900     1.900     1.900 peak   246 spectrum    2 weight  0.11000E+01 volume  0.24662E-03 ppm1      8.287 ppm2      2.674 CV     1
 OR {  246}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HB1 ))
 ASSI {  247}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.900     1.100     1.100 peak   247 spectrum    2 weight  0.11000E+01 volume  0.13229E-02 ppm1      8.194 ppm2      8.475 CV     1
 ASSI {  248}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.600     0.800     0.800 peak   248 spectrum    2 weight  0.11000E+01 volume  0.30332E-02 ppm1      8.197 ppm2      3.988 CV     1
 ASSI {  249}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   249 spectrum    2 weight  0.11000E+01 volume  0.33707E-03 ppm1      8.485 ppm2      2.094 CV     1
 OR {  249}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  250}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.300     0.700     0.700 peak   250 spectrum    2 weight  0.11000E+01 volume  0.55968E-02 ppm1      8.196 ppm2      2.083 CV     1
 OR {  250}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
 ASSI {  251}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.700     0.900     0.900 peak   251 spectrum    2 weight  0.11000E+01 volume  0.23272E-02 ppm1      7.315 ppm2      2.078 CV     1
 OR {  251}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  252}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      4.100     2.100     1.900 peak   252 spectrum    2 weight  0.11000E+01 volume  0.19147E-03 ppm1      8.285 ppm2      2.080 CV     1
 OR {  252}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI {  254}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   254 spectrum    2 weight  0.11000E+01 volume  0.27973E-02 ppm1      7.315 ppm2      3.976 CV     1
 ASSI {  255}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     2.500     3.500 peak   255 spectrum    2 weight  0.11000E+01 volume  0.34760E-02 ppm1      7.799 ppm2      3.980 CV     1
 ASSI {  256}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     2.500     3.500 peak   256 spectrum    2 weight  0.11000E+01 volume  0.33505E-02 ppm1      8.248 ppm2      3.984 CV     1
 ASSI {  257}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      4.600     2.700     1.400 peak   257 spectrum    2 weight  0.11000E+01 volume  0.85672E-04 ppm1      7.185 ppm2      1.521 CV     1
 ASSI {  258}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.200     3.200     2.800 peak   258 spectrum    2 weight  0.11000E+01 volume  0.73508E-03 ppm1      8.196 ppm2      1.526 CV     1
 ASSI {  259}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      2.500     0.800     0.800 peak   259 spectrum    2 weight  0.11000E+01 volume  0.35971E-02 ppm1      7.315 ppm2      1.519 CV     1
 ASSI {  260}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.000     1.200     1.200 peak   260 spectrum    2 weight  0.11000E+01 volume  0.10956E-02 ppm1      8.287 ppm2      1.530 CV     1
 ASSI {  261}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.000     3.000     3.000 peak   261 spectrum    2 weight  0.11000E+01 volume  0.10897E-02 ppm1      8.199 ppm2      1.776 CV     1
 ASSI {  262}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.500     0.800     0.800 peak   262 spectrum    2 weight  0.11000E+01 volume  0.34063E-02 ppm1      7.315 ppm2      1.781 CV     1
 ASSI {  263}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.800     1.000     1.000 peak   263 spectrum    2 weight  0.11000E+01 volume  0.16826E-02 ppm1      8.286 ppm2      1.790 CV     1
 ASSI {  264}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.600     1.600     1.600 peak   264 spectrum    2 weight  0.11000E+01 volume  0.40983E-03 ppm1      8.481 ppm2      0.887 CV     1
 ASSI {  265}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      3.200     3.200     2.800 peak   265 spectrum    2 weight  0.11000E+01 volume  0.74472E-03 ppm1      8.197 ppm2      0.893 CV     1
 OR {  265}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  266}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   266 spectrum    2 weight  0.11000E+01 volume  0.18547E-02 ppm1      7.315 ppm2      0.891 CV     1
 OR {  266}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
 ASSI {  267}
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
      2.800     1.000     1.000 peak   267 spectrum    2 weight  0.11000E+01 volume  0.17664E-02 ppm1      8.285 ppm2      0.890 CV     1
 ASSI {  268}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HD2%)
      3.000     1.200     1.200 peak   268 spectrum    2 weight  0.11000E+01 volume  0.10772E-02 ppm1      7.800 ppm2      0.916 CV     1
 OR {  268}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 83   and name HD1%)
 ASSI {  269}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.500     0.800     0.800 peak   269 spectrum    2 weight  0.11000E+01 volume  0.35267E-02 ppm1      8.196 ppm2      7.312 CV     1
 ASSI {  270}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.700     0.900     0.900 peak   270 spectrum    2 weight  0.11000E+01 volume  0.23203E-02 ppm1      8.286 ppm2      7.311 CV     1
 ASSI {  271}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.700     0.900     0.900 peak   271 spectrum    2 weight  0.11000E+01 volume  0.23857E-02 ppm1      8.285 ppm2      3.788 CV     1
 ASSI {  272}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.200     1.300     1.300 peak   272 spectrum    2 weight  0.11000E+01 volume  0.83514E-03 ppm1      8.245 ppm2      3.778 CV     1
 ASSI {  273}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.400     2.400     1.600 peak   273 spectrum    2 weight  0.11000E+01 volume  0.11941E-03 ppm1      7.312 ppm2      3.485 CV     1
 ASSI {  274}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.900     1.100     1.100 peak   274 spectrum    2 weight  0.11000E+01 volume  0.13318E-02 ppm1      8.287 ppm2      3.485 CV     1
 ASSI {  275}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.100     1.200     1.200 peak   275 spectrum    2 weight  0.11000E+01 volume  0.96968E-03 ppm1      8.438 ppm2      3.493 CV     1
 ASSI {  276}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      4.200     2.200     1.800 peak   276 spectrum    2 weight  0.11000E+01 volume  0.15030E-03 ppm1      7.800 ppm2      3.497 CV     1
 ASSI {  277}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.700     2.700     3.300 peak   277 spectrum    2 weight  0.11000E+01 volume  0.23565E-02 ppm1      8.285 ppm2      3.935 CV     1
 ASSI {  278}
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.600     0.800     0.800 peak   278 spectrum    2 weight  0.11000E+01 volume  0.29979E-02 ppm1      8.432 ppm2      3.919 CV     1
 ASSI {  279}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.200     1.200 peak   279 spectrum    2 weight  0.11000E+01 volume  0.10967E-02 ppm1      8.405 ppm2      3.931 CV     1
 ASSI {  281}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.700     1.800     1.800 peak   281 spectrum    2 weight  0.11000E+01 volume  0.31274E-03 ppm1      8.097 ppm2      0.946 CV     1
 ASSI {  282}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak   282 spectrum    2 weight  0.11000E+01 volume  0.48628E-03 ppm1      8.403 ppm2      0.951 CV     1
 ASSI {  283}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 85   and name HD1%)
      3.500     1.500     1.500 peak   283 spectrum    2 weight  0.11000E+01 volume  0.48919E-03 ppm1      8.150 ppm2      0.948 CV     1
 ASSI {  284}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.800     1.000     1.000 peak   284 spectrum    2 weight  0.11000E+01 volume  0.19234E-02 ppm1      7.800 ppm2      8.426 CV     1
 ASSI {  285}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.800     0.800 peak   285 spectrum    2 weight  0.11000E+01 volume  0.28933E-02 ppm1      7.799 ppm2      4.023 CV     1
 ASSI {  286}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.400     2.400     3.600 peak   286 spectrum    2 weight  0.11000E+01 volume  0.50783E-02 ppm1      7.799 ppm2      1.834 CV     1
 ASSI {  287}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      2.800     0.900     0.900 peak   287 spectrum    2 weight  0.11000E+01 volume  0.19886E-02 ppm1      8.244 ppm2      1.828 CV     1
 ASSI {  288}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      2.700     0.900     0.900 peak   288 spectrum    2 weight  0.11000E+01 volume  0.22052E-02 ppm1      7.800 ppm2      1.973 CV     1
 ASSI {  289}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      3.000     1.100     1.100 peak   289 spectrum    2 weight  0.11000E+01 volume  0.12342E-02 ppm1      8.243 ppm2      1.960 CV     1
 ASSI {  290}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      3.600     1.600     1.600 peak   290 spectrum    2 weight  0.11000E+01 volume  0.38897E-03 ppm1      7.800 ppm2      3.199 CV     1
 OR {  290}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  291}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD2 ))
      4.100     2.100     1.900 peak   291 spectrum    2 weight  0.11000E+01 volume  0.17965E-03 ppm1      8.247 ppm2      3.206 CV     1
 OR {  291}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HD1 ))
 ASSI {  292}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HG1 ))
      2.600     0.900     0.900 peak   292 spectrum    2 weight  0.11000E+01 volume  0.27360E-02 ppm1      7.800 ppm2      1.590 CV     1
 ASSI {  294}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.600     0.800     0.800 peak   294 spectrum    2 weight  0.11000E+01 volume  0.28774E-02 ppm1      8.246 ppm2      7.800 CV     1
 ASSI {  295}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.800     0.800 peak   295 spectrum    2 weight  0.11000E+01 volume  0.30416E-02 ppm1      8.245 ppm2      4.010 CV     1
 ASSI {  296}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
      3.000     1.100     1.100 peak   296 spectrum    2 weight  0.11000E+01 volume  0.11717E-02 ppm1      7.798 ppm2      1.438 CV     1
 ASSI {  297}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HB% )
      2.300     0.600     0.600 peak   297 spectrum    2 weight  0.11000E+01 volume  0.63207E-02 ppm1      8.247 ppm2      1.416 CV     1
 ASSI {  300}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   300 spectrum    2 weight  0.11000E+01 volume  0.69751E-03 ppm1      8.152 ppm2      3.530 CV     1
 ASSI {  301}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.900     1.900     1.900 peak   301 spectrum    2 weight  0.11000E+01 volume  0.23376E-03 ppm1      7.682 ppm2      3.532 CV     1
 ASSI {  302}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.300     1.300     1.300 peak   302 spectrum    2 weight  0.11000E+01 volume  0.72825E-03 ppm1      7.558 ppm2      3.527 CV     1
 ASSI {  303}
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HB2 ))
      2.400     0.700     0.700 peak   303 spectrum    2 weight  0.11000E+01 volume  0.41691E-02 ppm1      8.403 ppm2      1.525 CV     1
 ASSI {  304}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 88   and name HB1 ))
      3.500     3.500     2.500 peak   304 spectrum    2 weight  0.11000E+01 volume  0.45371E-03 ppm1      8.412 ppm2      1.519 CV     1
 ASSI {  305}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.400     1.400     1.400 peak   305 spectrum    2 weight  0.11000E+01 volume  0.56285E-03 ppm1      8.323 ppm2      0.345 CV     1
 ASSI {  306}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.400     2.400     1.600 peak   306 spectrum    2 weight  0.11000E+01 volume  0.12055E-03 ppm1      7.615 ppm2      0.339 CV     1
 OR {  306}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  307}
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.100     2.100     1.900 peak   307 spectrum    2 weight  0.11000E+01 volume  0.18518E-03 ppm1      7.799 ppm2      0.324 CV     1
 ASSI {  308}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.600     1.600     1.600 peak   308 spectrum    2 weight  0.11000E+01 volume  0.38314E-03 ppm1      8.249 ppm2      0.324 CV     1
 ASSI {  309}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.000     1.100     1.100 peak   309 spectrum    2 weight  0.11000E+01 volume  0.12713E-02 ppm1      8.152 ppm2      0.310 CV     1
 OR {  309}
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  310}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.900     1.900     1.900 peak   310 spectrum    2 weight  0.11000E+01 volume  0.23587E-03 ppm1      7.682 ppm2      0.317 CV     1
 OR {  310}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  311}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.700     1.700     1.700 peak   311 spectrum    2 weight  0.11000E+01 volume  0.35177E-03 ppm1      7.557 ppm2      0.320 CV     1
 OR {  311}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  312}
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.000     1.100     1.100 peak   312 spectrum    2 weight  0.11000E+01 volume  0.12555E-02 ppm1      8.412 ppm2      0.319 CV     1
 ASSI {  313}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.400     1.400     1.400 peak   313 spectrum    2 weight  0.11000E+01 volume  0.58232E-03 ppm1      6.748 ppm2      0.321 CV     1
 ASSI {  314}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      3.600     1.600     1.600 peak   314 spectrum    2 weight  0.11000E+01 volume  0.42048E-03 ppm1      8.526 ppm2      0.326 CV     1
 ASSI {  315}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
      4.000     2.000     2.000 peak   315 spectrum    2 weight  0.11000E+01 volume  0.22600E-03 ppm1      7.997 ppm2      0.322 CV     1
 OR {  315}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
 ASSI {  316}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      3.400     1.400     1.400 peak   316 spectrum    2 weight  0.11000E+01 volume  0.56858E-03 ppm1      8.489 ppm2      0.334 CV     1
 OR {  316}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  317}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD1%)
      4.100     2.100     1.900 peak   317 spectrum    2 weight  0.11000E+01 volume  0.19430E-03 ppm1      8.353 ppm2      0.342 CV     1
 OR {  317}
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 88   and name HD2%)
 ASSI {  318}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.200     1.900 peak   318 spectrum    2 weight  0.11000E+01 volume  0.16870E-03 ppm1      8.095 ppm2      0.661 CV     1
 ASSI {  319}
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.700     3.700     2.300 peak   319 spectrum    2 weight  0.11000E+01 volume  0.32482E-03 ppm1      7.799 ppm2      0.660 CV     1
 ASSI {  321}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      3.400     1.400     1.400 peak   321 spectrum    2 weight  0.11000E+01 volume  0.55347E-03 ppm1      8.152 ppm2      0.660 CV     1
 ASSI {  322}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 88   and name HG  ))
      4.100     2.100     1.900 peak   322 spectrum    2 weight  0.11000E+01 volume  0.19174E-03 ppm1      8.413 ppm2      0.661 CV     1
 ASSI {  323}
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.100     1.200     1.200 peak   323 spectrum    2 weight  0.11000E+01 volume  0.95165E-03 ppm1      8.246 ppm2      8.407 CV     1
 ASSI {  324}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      2.700     0.900     0.900 peak   324 spectrum    2 weight  0.11000E+01 volume  0.20445E-02 ppm1      8.152 ppm2      8.395 CV     1
 ASSI {  325}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      3.600     1.600     1.600 peak   325 spectrum    2 weight  0.11000E+01 volume  0.41403E-03 ppm1      7.680 ppm2      8.400 CV     1
 ASSI {  326}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.700     0.900     0.900 peak   326 spectrum    2 weight  0.11000E+01 volume  0.24767E-02 ppm1      8.152 ppm2      3.909 CV     1
 ASSI {  327}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.600     0.900     0.900 peak   327 spectrum    2 weight  0.11000E+01 volume  0.26707E-02 ppm1      8.157 ppm2      2.065 CV     1
 ASSI {  328}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      2.800     1.000     1.000 peak   328 spectrum    2 weight  0.11000E+01 volume  0.17080E-02 ppm1      7.682 ppm2      2.061 CV     1
 ASSI {  329}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      2.600     0.800     0.800 peak   329 spectrum    2 weight  0.11000E+01 volume  0.29964E-02 ppm1      8.153 ppm2      2.302 CV     1
 ASSI {  330}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.000     1.100     1.100 peak   330 spectrum    2 weight  0.11000E+01 volume  0.12649E-02 ppm1      7.681 ppm2      2.286 CV     1
 ASSI {  331}
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      2.700     0.900     0.900 peak   331 spectrum    2 weight  0.11000E+01 volume  0.22320E-02 ppm1      8.151 ppm2      2.463 CV     1
 ASSI {  332}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG2 ))
      3.400     1.400     1.400 peak   332 spectrum    2 weight  0.11000E+01 volume  0.60699E-03 ppm1      7.681 ppm2      2.483 CV     1
 OR {  332}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG1 ))
 ASSI {  333}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      2.700     0.900     0.900 peak   333 spectrum    2 weight  0.11000E+01 volume  0.20168E-02 ppm1      7.682 ppm2      8.151 CV     1
 ASSI {  334}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      3.800     1.800     1.800 peak   334 spectrum    2 weight  0.11000E+01 volume  0.26735E-03 ppm1      7.559 ppm2      8.155 CV     1
 ASSI {  335}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      2.700     0.900     0.900 peak   335 spectrum    2 weight  0.11000E+01 volume  0.21132E-02 ppm1      7.682 ppm2      4.184 CV     1
 ASSI {  336}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.200     1.300     1.300 peak   336 spectrum    2 weight  0.11000E+01 volume  0.78766E-03 ppm1      7.557 ppm2      4.180 CV     1
 ASSI {  337}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      3.800     1.800     1.800 peak   337 spectrum    2 weight  0.11000E+01 volume  0.27168E-03 ppm1      7.494 ppm2      4.193 CV     1
 ASSI {  338}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.300     0.700     0.700 peak   338 spectrum    2 weight  0.11000E+01 volume  0.61051E-02 ppm1      7.681 ppm2      1.483 CV     1
 ASSI {  339}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      2.700     0.900     0.900 peak   339 spectrum    2 weight  0.11000E+01 volume  0.21098E-02 ppm1      7.558 ppm2      1.479 CV     1
 ASSI {  340}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 90   and name HB% )
      3.400     1.500     1.500 peak   340 spectrum    2 weight  0.11000E+01 volume  0.53148E-03 ppm1      7.496 ppm2      1.472 CV     1
 ASSI {  342}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      4.200     2.200     1.800 peak   342 spectrum    2 weight  0.11000E+01 volume  0.16452E-03 ppm1      7.682 ppm2      4.516 CV     1
 ASSI {  343}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.800     1.000     1.000 peak   343 spectrum    2 weight  0.11000E+01 volume  0.19027E-02 ppm1      7.558 ppm2      4.517 CV     1
 ASSI {  344}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA  ))
      2.900     1.000     1.000 peak   344 spectrum    2 weight  0.11000E+01 volume  0.15627E-02 ppm1      7.495 ppm2      4.510 CV     1
 ASSI {  345}
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.300     1.400     1.400 peak   345 spectrum    2 weight  0.11000E+01 volume  0.65556E-03 ppm1      7.681 ppm2      1.002 CV     1
 OR {  345}
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  346}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      2.500     0.800     0.800 peak   346 spectrum    2 weight  0.11000E+01 volume  0.37221E-02 ppm1      7.557 ppm2      0.996 CV     1
 OR {  346}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI {  347}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.200     1.200     1.200 peak   347 spectrum    2 weight  0.11000E+01 volume  0.87274E-03 ppm1      7.495 ppm2      0.989 CV     1
 OR {  347}
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
 ASSI {  348}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.700     1.700     1.700 peak   348 spectrum    2 weight  0.11000E+01 volume  0.31489E-03 ppm1      8.411 ppm2      0.989 CV     1
 ASSI {  349}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
      3.400     1.400     1.400 peak   349 spectrum    2 weight  0.11000E+01 volume  0.57973E-03 ppm1      6.749 ppm2      0.990 CV     1
 ASSI {  350}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      3.400     1.500     1.500 peak   350 spectrum    2 weight  0.11000E+01 volume  0.53256E-03 ppm1      8.083 ppm2      0.981 CV     1
 OR {  350}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  351}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 91   and name HG2%)
      2.900     1.000     1.000 peak   351 spectrum    2 weight  0.11000E+01 volume  0.15578E-02 ppm1      8.488 ppm2      1.000 CV     1
 OR {  351}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 91   and name HG1 ))
 ASSI {  352}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      3.100     1.200     1.200 peak   352 spectrum    2 weight  0.11000E+01 volume  0.10187E-02 ppm1      7.558 ppm2      3.886 CV     1
 OR {  352}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  353}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      2.200     0.600     0.600 peak   353 spectrum    2 weight  0.11000E+01 volume  0.73221E-02 ppm1      7.495 ppm2      3.873 CV     1
 OR {  353}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  354}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
      2.800     1.000     1.000 peak   354 spectrum    2 weight  0.11000E+01 volume  0.18387E-02 ppm1      8.412 ppm2      3.882 CV     1
 OR {  354}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
 ASSI {  355}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA1 ))
      3.600     1.700     1.700 peak   355 spectrum    2 weight  0.11000E+01 volume  0.36468E-03 ppm1      6.748 ppm2      3.887 CV     1
 OR {  355}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HA2 ))
 ASSI {  356}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     0.900     0.900 peak   356 spectrum    2 weight  0.11000E+01 volume  0.19897E-02 ppm1      8.412 ppm2      7.500 CV     1
 ASSI {  357}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak   357 spectrum    2 weight  0.11000E+01 volume  0.34152E-03 ppm1      6.748 ppm2      7.503 CV     1
 ASSI {  358}
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.600     1.600     1.600 peak   358 spectrum    2 weight  0.11000E+01 volume  0.41039E-03 ppm1      7.495 ppm2      2.396 CV     1
 ASSI {  359}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      2.600     0.900     0.900 peak   359 spectrum    2 weight  0.11000E+01 volume  0.26242E-02 ppm1      8.412 ppm2      2.384 CV     1
 ASSI {  360}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA1 ))
      3.000     1.100     1.100 peak   360 spectrum    2 weight  0.11000E+01 volume  0.11658E-02 ppm1      6.748 ppm2      2.375 CV     1
 ASSI {  361}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA2 ))
      2.700     0.900     0.900 peak   361 spectrum    2 weight  0.11000E+01 volume  0.23991E-02 ppm1      8.412 ppm2      3.607 CV     1
 ASSI {  362}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HA2 ))
      3.100     1.200     1.200 peak   362 spectrum    2 weight  0.11000E+01 volume  0.10158E-02 ppm1      6.748 ppm2      3.635 CV     1
 ASSI {  363}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      3.300     1.400     1.400 peak   363 spectrum    2 weight  0.11000E+01 volume  0.64598E-03 ppm1      7.559 ppm2      8.417 CV     1
 ASSI {  365}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      2.800     1.000     1.000 peak   365 spectrum    2 weight  0.11000E+01 volume  0.18332E-02 ppm1      6.748 ppm2      8.420 CV     1
 ASSI {  366}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.500     1.500     1.500 peak   366 spectrum    2 weight  0.11000E+01 volume  0.46167E-03 ppm1      8.411 ppm2      4.537 CV     1
 ASSI {  367}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.600     0.800     0.800 peak   367 spectrum    2 weight  0.11000E+01 volume  0.30123E-02 ppm1      6.748 ppm2      4.553 CV     1
 ASSI {  368}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      2.300     0.600     0.600 peak   368 spectrum    2 weight  0.11000E+01 volume  0.66385E-02 ppm1      8.525 ppm2      4.539 CV     1
 ASSI {  369}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.100     1.200     1.200 peak   369 spectrum    2 weight  0.11000E+01 volume  0.92055E-03 ppm1      7.995 ppm2      4.540 CV     1
 ASSI {  370}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.300     1.400     1.400 peak   370 spectrum    2 weight  0.11000E+01 volume  0.61284E-03 ppm1      8.081 ppm2      4.561 CV     1
 ASSI {  371}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.700     1.700     1.700 peak   371 spectrum    2 weight  0.11000E+01 volume  0.35821E-03 ppm1      8.487 ppm2      4.548 CV     1
 ASSI {  372}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.500     0.800     0.800 peak   372 spectrum    2 weight  0.11000E+01 volume  0.34929E-02 ppm1      6.748 ppm2      2.553 CV     1
 ASSI {  373}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.200     1.300     1.300 peak   373 spectrum    2 weight  0.11000E+01 volume  0.75933E-03 ppm1      8.526 ppm2      2.551 CV     1
 ASSI {  374}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      3.700     1.800     1.800 peak   374 spectrum    2 weight  0.11000E+01 volume  0.31144E-03 ppm1      8.082 ppm2      2.566 CV     1
 ASSI {  375}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      4.300     2.400     1.700 peak   375 spectrum    2 weight  0.11000E+01 volume  0.12755E-03 ppm1      8.487 ppm2      2.549 CV     1
 ASSI {  376}
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.800     1.800     1.800 peak   376 spectrum    2 weight  0.11000E+01 volume  0.26598E-03 ppm1      8.411 ppm2      2.804 CV     1
 ASSI {  377}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.500     0.800     0.800 peak   377 spectrum    2 weight  0.11000E+01 volume  0.33948E-02 ppm1      6.748 ppm2      2.799 CV     1
 ASSI {  378}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.600     1.600     1.600 peak   378 spectrum    2 weight  0.11000E+01 volume  0.37620E-03 ppm1      8.525 ppm2      2.805 CV     1
 ASSI {  379}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.500     1.500     1.500 peak   379 spectrum    2 weight  0.11000E+01 volume  0.45880E-03 ppm1      8.081 ppm2      2.802 CV     1
 ASSI {  380}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.900     1.900     1.900 peak   380 spectrum    2 weight  0.11000E+01 volume  0.24913E-03 ppm1      8.484 ppm2      2.802 CV     1
 ASSI {  381}
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.900     1.900     1.900 peak   381 spectrum    2 weight  0.11000E+01 volume  0.22740E-03 ppm1      7.557 ppm2      6.746 CV     1
 ASSI {  383}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      3.600     1.600     1.600 peak   383 spectrum    2 weight  0.11000E+01 volume  0.41890E-03 ppm1      8.525 ppm2      6.750 CV     1
 ASSI {  384}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.100     2.100     1.900 peak   384 spectrum    2 weight  0.11000E+01 volume  0.19344E-03 ppm1      7.997 ppm2      6.754 CV     1
 ASSI {  385}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.000     2.000     2.000 peak   385 spectrum    2 weight  0.11000E+01 volume  0.20838E-03 ppm1      8.082 ppm2      6.747 CV     1
 ASSI {  386}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.200     2.200     1.800 peak   386 spectrum    2 weight  0.11000E+01 volume  0.16176E-03 ppm1      8.489 ppm2      6.745 CV     1
 ASSI {  387}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.800     1.000     1.000 peak   387 spectrum    2 weight  0.11000E+01 volume  0.17344E-02 ppm1      8.525 ppm2      3.448 CV     1
 ASSI {  388}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak   388 spectrum    2 weight  0.11000E+01 volume  0.76387E-03 ppm1      7.997 ppm2      3.451 CV     1
 ASSI {  389}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.800     1.800     1.800 peak   389 spectrum    2 weight  0.11000E+01 volume  0.29073E-03 ppm1      8.085 ppm2      3.454 CV     1
 ASSI {  390}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.200     1.200 peak   390 spectrum    2 weight  0.11000E+01 volume  0.10713E-02 ppm1      8.487 ppm2      3.449 CV     1
 ASSI {  391}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.500     1.500     1.500 peak   391 spectrum    2 weight  0.11000E+01 volume  0.49058E-03 ppm1      8.339 ppm2      3.458 CV     1
 ASSI {  392}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.500     0.800     0.800 peak   392 spectrum    2 weight  0.11000E+01 volume  0.31519E-02 ppm1      8.525 ppm2      1.814 CV     1
 ASSI {  393}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      2.700     0.900     0.900 peak   393 spectrum    2 weight  0.11000E+01 volume  0.22147E-02 ppm1      7.996 ppm2      1.817 CV     1
 ASSI {  394}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.800     1.800     1.800 peak   394 spectrum    2 weight  0.11000E+01 volume  0.29171E-03 ppm1      8.080 ppm2      1.835 CV     1
 ASSI {  395}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 95   and name HB  ))
      3.800     1.800     1.800 peak   395 spectrum    2 weight  0.11000E+01 volume  0.30471E-03 ppm1      8.489 ppm2      1.837 CV     1
 ASSI {  396}
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     1.000     1.000 peak   396 spectrum    2 weight  0.11000E+01 volume  0.18261E-02 ppm1      8.525 ppm2      0.835 CV     1
 ASSI {  397}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      2.800     2.800     3.200 peak   397 spectrum    2 weight  0.11000E+01 volume  0.19447E-02 ppm1      7.999 ppm2      0.826 CV     1
 ASSI {  398}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 95   and name HD1%)
      3.300     3.300     2.700 peak   398 spectrum    2 weight  0.11000E+01 volume  0.64818E-03 ppm1      8.087 ppm2      0.831 CV     1
 ASSI {  399}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      4.200     2.200     1.800 peak   399 spectrum    2 weight  0.11000E+01 volume  0.15042E-03 ppm1      7.619 ppm2      1.219 CV     1
 ASSI {  400}
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      3.600     1.600     1.600 peak   400 spectrum    2 weight  0.11000E+01 volume  0.41667E-03 ppm1      6.749 ppm2      1.197 CV     1
 ASSI {  401}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      2.900     1.000     1.000 peak   401 spectrum    2 weight  0.11000E+01 volume  0.15719E-02 ppm1      8.525 ppm2      1.184 CV     1
 ASSI {  402}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG11))
      3.300     1.400     1.400 peak   402 spectrum    2 weight  0.11000E+01 volume  0.65416E-03 ppm1      7.994 ppm2      1.183 CV     1
 ASSI {  403}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG12))
      2.800     1.000     1.000 peak   403 spectrum    2 weight  0.11000E+01 volume  0.16142E-02 ppm1      8.525 ppm2      1.568 CV     1
 ASSI {  404}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG12))
      3.300     1.400     1.400 peak   404 spectrum    2 weight  0.11000E+01 volume  0.65990E-03 ppm1      7.998 ppm2      1.579 CV     1
 ASSI {  405}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      2.600     0.900     0.900 peak   405 spectrum    2 weight  0.11000E+01 volume  0.25171E-02 ppm1      7.996 ppm2      8.516 CV     1
 ASSI {  406}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.800     1.900     1.900 peak   406 spectrum    2 weight  0.11000E+01 volume  0.26508E-03 ppm1      8.526 ppm2      3.923 CV     1
 ASSI {  407}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.600     0.800     0.800 peak   407 spectrum    2 weight  0.11000E+01 volume  0.30373E-02 ppm1      7.996 ppm2      3.929 CV     1
 ASSI {  408}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.100     1.200     1.200 peak   408 spectrum    2 weight  0.11000E+01 volume  0.10144E-02 ppm1      8.081 ppm2      3.923 CV     1
 ASSI {  409}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.200     1.300     1.300 peak   409 spectrum    2 weight  0.11000E+01 volume  0.85514E-03 ppm1      8.337 ppm2      3.907 CV     1
 ASSI {  410}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      3.500     1.500     1.500 peak   410 spectrum    2 weight  0.11000E+01 volume  0.47126E-03 ppm1      8.526 ppm2      2.132 CV     1
 ASSI {  411}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.300     0.600     0.600 peak   411 spectrum    2 weight  0.11000E+01 volume  0.66328E-02 ppm1      7.994 ppm2      2.139 CV     1
 ASSI {  412}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB2 ))
      2.600     0.900     0.900 peak   412 spectrum    2 weight  0.11000E+01 volume  0.26733E-02 ppm1      8.081 ppm2      2.144 CV     1
 ASSI {  413}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.600     1.600     1.600 peak   413 spectrum    2 weight  0.11000E+01 volume  0.41082E-03 ppm1      8.525 ppm2      2.416 CV     1
 OR {  413}
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  414}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      2.800     1.000     1.000 peak   414 spectrum    2 weight  0.11000E+01 volume  0.18851E-02 ppm1      7.998 ppm2      2.411 CV     1
 OR {  414}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG2 ))
 ASSI {  416}
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.700     0.900     0.900 peak   416 spectrum    2 weight  0.11000E+01 volume  0.23536E-02 ppm1      8.083 ppm2      4.130 CV     1
 ASSI {  417}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak   417 spectrum    2 weight  0.11000E+01 volume  0.98434E-03 ppm1      8.488 ppm2      4.134 CV     1
 ASSI {  418}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.300     1.300     1.300 peak   418 spectrum    2 weight  0.11000E+01 volume  0.69677E-03 ppm1      7.419 ppm2      4.144 CV     1
 ASSI {  419}
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      3.000     1.100     1.100 peak   419 spectrum    2 weight  0.11000E+01 volume  0.12089E-02 ppm1      6.748 ppm2      1.381 CV     1
 ASSI {  420}
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      3.200     1.300     1.300 peak   420 spectrum    2 weight  0.11000E+01 volume  0.80466E-03 ppm1      7.998 ppm2      1.381 CV     1
 ASSI {  421}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      2.400     0.700     0.700 peak   421 spectrum    2 weight  0.11000E+01 volume  0.49874E-02 ppm1      8.081 ppm2      1.379 CV     1
 ASSI {  422}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HB% )
      2.600     0.900     0.900 peak   422 spectrum    2 weight  0.11000E+01 volume  0.26448E-02 ppm1      8.489 ppm2      1.384 CV     1
 ASSI {  423}
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.400     0.700     0.700 peak   423 spectrum    2 weight  0.11000E+01 volume  0.43162E-02 ppm1      7.999 ppm2      8.070 CV     1
 ASSI {  424}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak   424 spectrum    2 weight  0.11000E+01 volume  0.25066E-02 ppm1      8.488 ppm2      8.074 CV     1
 ASSI {  425}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      2.700     0.900     0.900 peak   425 spectrum    2 weight  0.11000E+01 volume  0.21049E-02 ppm1      8.488 ppm2      3.763 CV     1
 ASSI {  426}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.100     1.200     1.200 peak   426 spectrum    2 weight  0.11000E+01 volume  0.10015E-02 ppm1      7.433 ppm2      3.777 CV     1
 ASSI {  427}
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.200     1.200     1.200 peak   427 spectrum    2 weight  0.11000E+01 volume  0.88050E-03 ppm1      8.245 ppm2      1.220 CV     1
 ASSI {  428}
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.100     1.200     1.200 peak   428 spectrum    2 weight  0.11000E+01 volume  0.89669E-03 ppm1      8.403 ppm2      1.225 CV     1
 ASSI {  430}
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.800     1.800     1.800 peak   430 spectrum    2 weight  0.11000E+01 volume  0.28966E-03 ppm1      7.556 ppm2      1.206 CV     1
 ASSI {  431}
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.000     1.200     1.200 peak   431 spectrum    2 weight  0.11000E+01 volume  0.10798E-02 ppm1      8.081 ppm2      1.217 CV     1
 ASSI {  432}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      2.400     0.700     0.700 peak   432 spectrum    2 weight  0.11000E+01 volume  0.48828E-02 ppm1      8.493 ppm2      1.215 CV     1
 ASSI {  433}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 98   and name HB% )
      3.500     1.500     1.500 peak   433 spectrum    2 weight  0.11000E+01 volume  0.47661E-03 ppm1      7.419 ppm2      1.222 CV     1
 ASSI {  435}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      2.700     0.900     0.900 peak   435 spectrum    2 weight  0.11000E+01 volume  0.20355E-02 ppm1      8.345 ppm2      8.500 CV     1
 ASSI {  436}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.800     1.000     1.000 peak   436 spectrum    2 weight  0.11000E+01 volume  0.19310E-02 ppm1      8.340 ppm2      3.732 CV     1
 ASSI {  437}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.300     1.400     1.400 peak   437 spectrum    2 weight  0.11000E+01 volume  0.63966E-03 ppm1      7.417 ppm2      3.715 CV     1
 ASSI {  438}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.100     1.200     1.200 peak   438 spectrum    2 weight  0.11000E+01 volume  0.10019E-02 ppm1      8.272 ppm2      3.722 CV     1
 ASSI {  439}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.400     1.500     1.500 peak   439 spectrum    2 weight  0.11000E+01 volume  0.52109E-03 ppm1      8.368 ppm2      3.720 CV     1
 ASSI {  440}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      3.000     1.100     1.100 peak   440 spectrum    2 weight  0.11000E+01 volume  0.12648E-02 ppm1      7.415 ppm2      1.431 CV     1
 ASSI {  441}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.500     0.800     0.800 peak   441 spectrum    2 weight  0.11000E+01 volume  0.37403E-02 ppm1      8.343 ppm2      1.845 CV     1
 ASSI {  442}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      2.800     1.000     1.000 peak   442 spectrum    2 weight  0.11000E+01 volume  0.16651E-02 ppm1      7.417 ppm2      1.860 CV     1
 ASSI {  444}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
      3.000     1.100     1.100 peak   444 spectrum    2 weight  0.11000E+01 volume  0.11331E-02 ppm1      8.489 ppm2      0.804 CV     1
 OR {  444}
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
 ASSI {  445}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HD1%)
      3.200     1.300     1.300 peak   445 spectrum    2 weight  0.11000E+01 volume  0.84288E-03 ppm1      7.418 ppm2      0.809 CV     1
 OR {  445}
   (( segid "    " and resid 100  and name HN  ))
   (  segid "    " and resid 99   and name HD2%)
 ASSI {  446}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HG  ))
      2.600     2.600     3.400 peak   446 spectrum    2 weight  0.11000E+01 volume  0.26075E-02 ppm1      8.344 ppm2      1.653 CV     1
 ASSI {  448}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.700     0.900     0.900 peak   448 spectrum    2 weight  0.11000E+01 volume  0.20203E-02 ppm1      7.415 ppm2      4.002 CV     1
 ASSI {  449}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.200     1.300     1.300 peak   449 spectrum    2 weight  0.11000E+01 volume  0.75844E-03 ppm1      8.370 ppm2      4.004 CV     1
 ASSI {  450}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.500     0.800     0.800 peak   450 spectrum    2 weight  0.11000E+01 volume  0.37075E-02 ppm1      7.415 ppm2      2.071 CV     1
 ASSI {  451}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.800     1.000     1.000 peak   451 spectrum    2 weight  0.11000E+01 volume  0.18081E-02 ppm1      7.434 ppm2      2.067 CV     1
 ASSI {  452}
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak   452 spectrum    2 weight  0.11000E+01 volume  0.50644E-03 ppm1      8.488 ppm2      7.412 CV     1
 ASSI {  453}
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      2.700     0.900     0.900 peak   453 spectrum    2 weight  0.11000E+01 volume  0.22630E-02 ppm1      8.346 ppm2      7.411 CV     1
 ASSI {  454}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak   454 spectrum    2 weight  0.11000E+01 volume  0.20488E-02 ppm1      7.433 ppm2      4.101 CV     1
 ASSI {  455}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.700     1.700     1.700 peak   455 spectrum    2 weight  0.11000E+01 volume  0.35986E-03 ppm1      8.281 ppm2      4.109 CV     1
 ASSI {  456}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      3.300     1.300     1.300 peak   456 spectrum    2 weight  0.11000E+01 volume  0.70020E-03 ppm1      7.675 ppm2      4.134 CV     1
 ASSI {  457}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB1 ))
      2.500     0.800     0.800 peak   457 spectrum    2 weight  0.11000E+01 volume  0.32976E-02 ppm1      7.433 ppm2      1.580 CV     1
 ASSI {  458}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      2.600     0.800     0.800 peak   458 spectrum    2 weight  0.11000E+01 volume  0.30136E-02 ppm1      7.432 ppm2      1.849 CV     1
 ASSI {  459}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HB2 ))
      3.100     1.200     1.200 peak   459 spectrum    2 weight  0.11000E+01 volume  0.94679E-03 ppm1      8.275 ppm2      1.843 CV     1
 ASSI {  460}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.100     1.200     1.200 peak   460 spectrum    2 weight  0.11000E+01 volume  0.93195E-03 ppm1      8.280 ppm2      0.838 CV     1
 OR {  460}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
 ASSI {  461}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.900     1.900     1.900 peak   461 spectrum    2 weight  0.11000E+01 volume  0.25200E-03 ppm1      8.046 ppm2      0.859 CV     1
 OR {  461}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  462}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.600     1.600     1.600 peak   462 spectrum    2 weight  0.11000E+01 volume  0.39419E-03 ppm1      8.123 ppm2      0.849 CV     1
 OR {  462}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  463}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.500     1.600     1.600 peak   463 spectrum    2 weight  0.11000E+01 volume  0.44516E-03 ppm1      8.116 ppm2      0.834 CV     1
 OR {  463}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
 ASSI {  464}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HD1%)
      3.000     1.200     1.200 peak   464 spectrum    2 weight  0.11000E+01 volume  0.10795E-02 ppm1      7.432 ppm2      0.852 CV     1
 ASSI {  465}
   (( segid "    " and resid 101  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.100     1.200     1.200 peak   465 spectrum    2 weight  0.11000E+01 volume  0.91684E-03 ppm1      7.435 ppm2      0.813 CV     1
 ASSI {  466}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 101  and name HD2%)
      3.500     3.500     2.500 peak   466 spectrum    2 weight  0.11000E+01 volume  0.43525E-03 ppm1      7.675 ppm2      0.804 CV     1
 ASSI {  467}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      2.800     1.000     1.000 peak   467 spectrum    2 weight  0.11000E+01 volume  0.18728E-02 ppm1      8.273 ppm2      7.437 CV     1
 ASSI {  468}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     4.000     2.000 peak   468 spectrum    2 weight  0.11000E+01 volume  0.20640E-03 ppm1      7.416 ppm2      3.430 CV     1
 ASSI {  469}
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      4.000     2.000     2.000 peak   469 spectrum    2 weight  0.11000E+01 volume  0.22059E-03 ppm1      7.434 ppm2      3.444 CV     1
 ASSI {  470}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.000     1.100     1.100 peak   470 spectrum    2 weight  0.11000E+01 volume  0.11912E-02 ppm1      8.272 ppm2      3.435 CV     1
 ASSI {  471}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.700     1.700     1.700 peak   471 spectrum    2 weight  0.11000E+01 volume  0.32596E-03 ppm1      7.672 ppm2      3.452 CV     1
 ASSI {  472}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 102  and name HA  ))
      3.800     1.800     1.800 peak   472 spectrum    2 weight  0.11000E+01 volume  0.30121E-03 ppm1      8.045 ppm2      3.452 CV     1
 ASSI {  473}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      2.300     0.700     0.700 peak   473 spectrum    2 weight  0.11000E+01 volume  0.53914E-02 ppm1      8.273 ppm2      1.584 CV     1
 ASSI {  474}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HB  ))
      2.500     0.800     0.800 peak   474 spectrum    2 weight  0.11000E+01 volume  0.34175E-02 ppm1      8.374 ppm2      1.568 CV     1
 ASSI {  475}
   (( segid "    " and resid 102  and name HN  ))
   (  segid "    " and resid 102  and name HD1%)
      2.900     1.100     1.100 peak   475 spectrum    2 weight  0.11000E+01 volume  0.14468E-02 ppm1      8.275 ppm2      0.495 CV     1
 ASSI {  476}
   (( segid "    " and resid 103  and name HN  ))
   (  segid "    " and resid 102  and name HD1%)
      3.000     1.100     1.100 peak   476 spectrum    2 weight  0.11000E+01 volume  0.12861E-02 ppm1      8.368 ppm2      0.493 CV     1
 ASSI {  477}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      2.600     0.800     0.800 peak   477 spectrum    2 weight  0.11000E+01 volume  0.30316E-02 ppm1      8.274 ppm2      0.654 CV     1
 ASSI {  478}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HG11))
      3.000     1.100     1.100 peak   478 spectrum    2 weight  0.11000E+01 volume  0.12294E-02 ppm1      8.369 ppm2      0.659 CV     1
 ASSI {  480}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      2.800     1.000     1.000 peak   480 spectrum    2 weight  0.11000E+01 volume  0.18441E-02 ppm1      8.366 ppm2      4.601 CV     1
 ASSI {  481}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.100     1.200     1.200 peak   481 spectrum    2 weight  0.11000E+01 volume  0.93769E-03 ppm1      7.676 ppm2      4.598 CV     1
 ASSI {  482}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HA  ))
      3.900     1.900     1.900 peak   482 spectrum    2 weight  0.11000E+01 volume  0.23200E-03 ppm1      8.045 ppm2      4.595 CV     1
 ASSI {  483}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.500     0.800     0.800 peak   483 spectrum    2 weight  0.11000E+01 volume  0.34858E-02 ppm1      8.366 ppm2      2.990 CV     1
 ASSI {  484}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak   484 spectrum    2 weight  0.11000E+01 volume  0.10634E-02 ppm1      7.675 ppm2      2.987 CV     1
 ASSI {  485}
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.700     0.900     0.900 peak   485 spectrum    2 weight  0.11000E+01 volume  0.20573E-02 ppm1      8.368 ppm2      3.277 CV     1
 ASSI {  486}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.200     1.300     1.300 peak   486 spectrum    2 weight  0.11000E+01 volume  0.75245E-03 ppm1      7.675 ppm2      3.286 CV     1
 ASSI {  487}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HN  ))
      2.700     0.900     0.900 peak   487 spectrum    2 weight  0.11000E+01 volume  0.21642E-02 ppm1      7.675 ppm2      8.363 CV     1
 ASSI {  488}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.600     0.800     0.800 peak   488 spectrum    2 weight  0.11000E+01 volume  0.27469E-02 ppm1      7.675 ppm2      4.365 CV     1
 ASSI {  489}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      2.800     1.000     1.000 peak   489 spectrum    2 weight  0.11000E+01 volume  0.16780E-02 ppm1      8.037 ppm2      4.380 CV     1
 ASSI {  490}
   (( segid "    " and resid 104  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      2.200     0.600     0.600 peak   490 spectrum    2 weight  0.11000E+01 volume  0.67577E-02 ppm1      7.676 ppm2      1.519 CV     1
 ASSI {  491}
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.000     1.100     1.100 peak   491 spectrum    2 weight  0.11000E+01 volume  0.12722E-02 ppm1      8.045 ppm2      1.520 CV     1
 ASSI {  492}
   (( segid "    " and resid 106  and name HN  ))
   (  segid "    " and resid 104  and name HB% )
      3.200     1.300     1.300 peak   492 spectrum    2 weight  0.11000E+01 volume  0.83132E-03 ppm1      8.124 ppm2      1.523 CV     1
 ASSI {  493}
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      3.800     1.800     1.800 peak   493 spectrum    2 weight  0.11000E+01 volume  0.29441E-03 ppm1      8.275 ppm2      7.675 CV     1
 ASSI {  495}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      2.800     1.000     1.000 peak   495 spectrum    2 weight  0.11000E+01 volume  0.19521E-02 ppm1      8.044 ppm2      7.682 CV     1
 ASSI {  496}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA1 ))
      2.600     0.800     0.800 peak   496 spectrum    2 weight  0.11000E+01 volume  0.29436E-02 ppm1      8.041 ppm2      3.952 CV     1
 ASSI {  497}
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HA2 ))
      3.100     1.200     1.200 peak   497 spectrum    2 weight  0.11000E+01 volume  0.97966E-03 ppm1      7.676 ppm2      4.075 CV     1
 ASSI {  498}
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA2 ))
      2.700     0.900     0.900 peak   498 spectrum    2 weight  0.11000E+01 volume  0.24490E-02 ppm1      8.040 ppm2      4.053 CV     1
 ASSI {  500}
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      2.400     0.700     0.700 peak   500 spectrum    2 weight  0.11000E+01 volume  0.48967E-02 ppm1      8.123 ppm2      3.923 CV     1
 ASSI {  501}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA1 ))
      2.600     0.800     0.800 peak   501 spectrum    2 weight  0.11000E+01 volume  0.29248E-02 ppm1      8.118 ppm2      3.905 CV     1
 ASSI {  502}
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.100     1.200     1.200 peak   502 spectrum    2 weight  0.11000E+01 volume  0.10192E-02 ppm1      8.118 ppm2      4.525 CV     1
 ASSI {  503}
   (( segid "    " and resid 107  and name HN  ))
   (  segid "    " and resid 107  and name HB% )
      2.700     0.900     0.900 peak   503 spectrum    2 weight  0.11000E+01 volume  0.21180E-02 ppm1      8.121 ppm2      1.272 CV     1


#
#
############################################################################
#  Program...:                        CSI (c)
#  Version...:                         2.0
#  Location..:                 University of Alberta
#                          Protein Engineering Network of
#                              Centres of Excellence
#  Input.....:                 /home/chang/nmrdata/hgb1uba/X-Misc/CSI/csi.hgb1uba
#  Date......:                 Tue Jul  6 19:39:37 2004
#############################################################################
#
#
#     A       HA       CA       CO       CB       Consensus
#
63    G       0 C      0 C     -1 B      1 B         0 C 
64    S       0 C      0 C     -1 B      1 B         0 C 
65    Q       0 C      0 C     -1 B      0 C         0 C 
66    W       0 C      0 C     -1 B      0 C         0 C 
67    Q      -1 H      1 H     -1 B      0 C        -1 H 
68    P      -1 H      1 H      0 C      0 C        -1 H 
69    Q      -1 H      1 H      0 C      0 C        -1 H 
70    L      -1 H      1 H      0 C      0 C        -1 H 
71    Q      -1 H      1 H      0 C      0 C        -1 H 
72    Q      -1 H      1 H      0 C      0 C        -1 H 
73    L       0 C      1 H      0 C      0 C         0 C 
74    R       0 C      1 H      0 C      0 C         0 C 
75    D       0 C      1 H     -1 B      0 C         0 C 
76    M       0 C      0 C     -1 B      0 C         0 C 
77    G       0 C      0 C     -1 B      0 C         0 C 
78    I       0 C      0 C     -1 B      0 C         0 C 
79    Q       0 C      0 C     -1 B      0 C         0 C 
80    D       0 C      0 C     -1 B      0 C         0 C 
81    D      -1 H      1 H     -1 B      0 C        -1 H 
82    E      -1 H      1 H      1 H      0 C        -1 H 
83    L      -1 H      1 H      1 H      0 C        -1 H 
84    S      -1 H      1 H      1 H      0 C        -1 H 
85    L      -1 H      1 H      1 H      0 C        -1 H 
86    R      -1 H      1 H      1 H      0 C        -1 H 
87    A      -1 H      1 H      1 H      0 C        -1 H 
88    L      -1 H      1 H      1 H      0 C        -1 H 
89    Q      -1 H      1 H      1 H      0 C        -1 H 
90    A      -1 H      1 H      1 H      0 C        -1 H 
91    T       0 C      0 C      0 C      0 C         0 C 
92    G       0 C      0 C      0 C      0 C         0 C 
93    G      -1 H      0 C     -1 B      0 C         0 C 
94    D      -1 H      0 C     -1 B      0 C         0 C 
95    I      -1 H      1 H     -1 B      0 C        -1 H 
96    Q      -1 H      1 H      1 H      0 C        -1 H 
97    A      -1 H      1 H      1 H      0 C        -1 H 
98    A      -1 H      1 H      1 H      0 C        -1 H 
99    L      -1 H      1 H      1 H      0 C        -1 H 
100   E      -1 H      1 H      1 H      0 C        -1 H 
101   L      -1 H      1 H      1 H      0 C        -1 H 
102   I       0 C      1 H      1 H      0 C        -1 H 
103   F       0 C      1 H      0 C      0 C         0 C 
104   A       0 C      0 C      0 C      0 C         0 C 
105   G       0 C      0 C      0 C      0 C         0 C 
106   G       0 C      0 C      0 C      0 C         0 C 
107   A       0 C      0 C      0 C      0 C         0 C 
#
#
#
############################################################################
#
#                    Secondary Structure Summary
#
#
#
#
#       HA     |      CA      |      CO      |      CB      |  Consensus   |
#---------------------------------------------------------------------------
# C   7 -   7  | C   7 -   8  | C   7 -   7  | C   7 -  15  | C   0 -   0  | 
# B   8 -  15  | B   9 -  14  | B   8 -  15  | B  16 -  28  | B   0 -   0  | 
# C  16 -  17  | C  15 -  19  | C  16 -  16  | C  29 -  43  | C   0 -   0  | 
# B  18 -  27  | B  20 -  28  | B  17 -  28  | B  44 -  55  | B   0 -   0  | 
# C  28 -  28  | H  29 -  35  | C  29 -  33  | C  56 -  56  | H   0 -   0  | 
# H  29 -  35  | C  36 -  36  | H  34 -  37  | B  57 -  64  | C   0 -   0  | 
# C  36 -  36  | H  37 -  44  | C  38 -  41  | C  65 - 107  | H   0 -   0  | 
# H  37 -  43  | C  45 -  48  | B  42 -  53  |              | C   0 -   0  | 
# C  44 -  44  | B  49 -  52  | C  54 -  54  |              | B   0 -   0  | 
# B  45 -  51  | C  53 -  57  | B  55 -  67  |              | C   0 -   0  | 
# H  52 -  56  | B  58 -  61  | C  68 -  74  |              | B   0 -   0  | 
# B  57 -  62  | C  62 -  66  | B  75 -  81  |              | C   0 -   0  | 
# C  63 -  66  | H  67 -  75  | H  82 -  90  |              | H   0 -   0  | 
# H  67 -  72  | C  76 -  80  | C  91 -  92  |              | C   0 -   0  | 
# C  73 -  80  | H  81 -  90  | B  93 -  95  |              | H   0 -   0  | 
# H  81 -  90  | C  91 -  94  | H  96 - 102  |              | C   0 -   0  | 
# C  91 -  92  | H  95 - 103  | C 103 - 107  |              | H   0 -   0  | 
# H  93 - 101  | C 104 - 107  |              |              | C   0 -   0  | 
# C 102 - 107  |              |              |              |              | 
# 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY  63           H        GLY  63 -24.494  12.123  -5.375
    2   1HA   GLY  63          1HA       GLY  63 -21.640  12.098  -4.589
    3   2HA   GLY  63          2HA       GLY  63 -23.021  12.450  -3.560
    4    H    SER  64           H        SER  64 -21.482  10.629  -2.532
    5    HA   SER  64           HA       SER  64 -22.957   8.137  -2.940
    6   1HB   SER  64          1HB       SER  64 -20.922   7.801  -4.209
    7   2HB   SER  64          2HB       SER  64 -19.940   8.371  -2.861
    8    HG   SER  64           HG       SER  64 -20.950   5.897  -3.341
    9    H    GLN  65           H        GLN  65 -23.011   6.778  -1.110
   10    HA   GLN  65           HA       GLN  65 -23.116   8.150   1.372
   11   1HB   GLN  65          1HB       GLN  65 -23.232   5.185   0.785
   12   2HB   GLN  65          2HB       GLN  65 -23.667   5.936   2.314
   13   1HG   GLN  65          1HG       GLN  65 -25.605   6.841   1.478
   14   2HG   GLN  65          2HG       GLN  65 -25.026   6.813  -0.187
   15   1HE2  GLN  65          1HE2      GLN  65 -26.490   5.006   2.366
   16   2HE2  GLN  65          2HE2      GLN  65 -26.951   3.635   1.418
   17    H    TRP  66           H        TRP  66 -20.661   6.362  -0.252
   18    HA   TRP  66           HA       TRP  66 -19.024   6.354   2.199
   19   1HB   TRP  66          1HB       TRP  66 -18.766   4.607  -0.257
   20   2HB   TRP  66          2HB       TRP  66 -17.707   4.552   1.149
   21    HD1  TRP  66           HD1      TRP  66 -19.357   4.159   3.576
   22    HE1  TRP  66           HE1      TRP  66 -21.067   2.258   3.878
   23    HE3  TRP  66           HE3      TRP  66 -20.199   3.023  -1.347
   24    HZ2  TRP  66           HZ2      TRP  66 -22.571   0.514   2.246
   25    HZ3  TRP  66           HZ3      TRP  66 -21.792   1.232  -1.887
   26    HH2  TRP  66           HH2      TRP  66 -22.954   0.002  -0.126
   27    H    GLN  67           H        GLN  67 -19.515   8.433   0.024
   28    HA   GLN  67           HA       GLN  67 -17.225   8.733  -1.548
   29   1HB   GLN  67          1HB       GLN  67 -19.525  10.031  -1.517
   30   2HB   GLN  67          2HB       GLN  67 -18.627  11.160  -0.516
   31   1HG   GLN  67          1HG       GLN  67 -18.449  11.981  -2.695
   32   2HG   GLN  67          2HG       GLN  67 -16.898  11.214  -2.359
   33   1HE2  GLN  67          1HE2      GLN  67 -16.345   9.335  -3.430
   34   2HE2  GLN  67          2HE2      GLN  67 -17.202   8.770  -4.822
   35    HA   PRO  68           HA       PRO  68 -15.362  11.591   1.920
   36   1HB   PRO  68          1HB       PRO  68 -16.708  10.632   4.365
   37   2HB   PRO  68          2HB       PRO  68 -16.362  12.285   3.849
   38   1HG   PRO  68          1HG       PRO  68 -18.855  11.314   3.825
   39   2HG   PRO  68          2HG       PRO  68 -18.282  12.427   2.568
   40   1HD   PRO  68          1HD       PRO  68 -18.598   9.448   2.462
   41   2HD   PRO  68          2HD       PRO  68 -19.012  10.666   1.240
   42    H    GLN  69           H        GLN  69 -16.443   8.340   2.669
   43    HA   GLN  69           HA       GLN  69 -14.303   7.543   4.317
   44   1HB   GLN  69          1HB       GLN  69 -16.323   6.083   2.648
   45   2HB   GLN  69          2HB       GLN  69 -15.002   5.194   3.391
   46   1HG   GLN  69          1HG       GLN  69 -16.858   5.023   4.838
   47   2HG   GLN  69          2HG       GLN  69 -15.723   6.137   5.593
   48   1HE2  GLN  69          1HE2      GLN  69 -17.337   7.042   6.846
   49   2HE2  GLN  69          2HE2      GLN  69 -18.525   8.113   6.190
   50    H    LEU  70           H        LEU  70 -14.785   7.376   0.814
   51    HA   LEU  70           HA       LEU  70 -12.519   5.866   0.161
   52   1HB   LEU  70          1HB       LEU  70 -13.650   8.098  -1.519
   53   2HB   LEU  70          2HB       LEU  70 -12.741   6.709  -2.074
   54    HG   LEU  70           HG       LEU  70 -15.568   6.746  -1.029
   55   1HD1  LEU  70          1HD1      LEU  70 -14.495   5.810  -3.680
   56   2HD1  LEU  70          2HD1      LEU  70 -15.098   7.443  -3.392
   57   3HD1  LEU  70          3HD1      LEU  70 -16.178   6.062  -3.218
   58   1HD2  LEU  70          1HD2      LEU  70 -14.357   4.775  -0.171
   59   2HD2  LEU  70          2HD2      LEU  70 -13.924   4.345  -1.826
   60   3HD2  LEU  70          3HD2      LEU  70 -15.615   4.347  -1.330
   61    H    GLN  71           H        GLN  71 -12.948   9.355   0.528
   62    HA   GLN  71           HA       GLN  71 -10.361  10.121  -0.270
   63   1HB   GLN  71          1HB       GLN  71 -12.395  11.456   1.506
   64   2HB   GLN  71          2HB       GLN  71 -10.865  12.212   1.081
   65   1HG   GLN  71          1HG       GLN  71 -13.111  11.439  -0.758
   66   2HG   GLN  71          2HG       GLN  71 -12.527  13.059  -0.385
   67   1HE2  GLN  71          1HE2      GLN  71 -10.477  13.693  -1.199
   68   2HE2  GLN  71          2HE2      GLN  71  -9.804  12.928  -2.596
   69    H    GLN  72           H        GLN  72 -11.695   9.284   2.905
   70    HA   GLN  72           HA       GLN  72  -9.442   9.935   4.447
   71   1HB   GLN  72          1HB       GLN  72 -11.721   8.022   4.809
   72   2HB   GLN  72          2HB       GLN  72 -10.392   8.021   5.958
   73   1HG   GLN  72          1HG       GLN  72 -12.212  10.320   5.302
   74   2HG   GLN  72          2HG       GLN  72 -12.172   9.387   6.798
   75   1HE2  GLN  72          1HE2      GLN  72 -10.712  11.915   4.959
   76   2HE2  GLN  72          2HE2      GLN  72  -9.584  12.435   6.164
   77    H    LEU  73           H        LEU  73 -10.314   7.038   2.675
   78    HA   LEU  73           HA       LEU  73  -8.119   5.463   3.552
   79   1HB   LEU  73          1HB       LEU  73  -9.984   5.277   1.196
   80   2HB   LEU  73          2HB       LEU  73  -8.711   4.107   1.476
   81    HG   LEU  73           HG       LEU  73 -10.819   4.683   3.539
   82   1HD1  LEU  73          1HD1      LEU  73 -10.890   2.670   1.299
   83   2HD1  LEU  73          2HD1      LEU  73 -12.021   3.994   1.582
   84   3HD1  LEU  73          3HD1      LEU  73 -11.951   2.637   2.706
   85   1HD2  LEU  73          1HD2      LEU  73 -10.192   2.309   4.172
   86   2HD2  LEU  73          2HD2      LEU  73  -8.978   3.551   4.479
   87   3HD2  LEU  73          3HD2      LEU  73  -8.819   2.489   3.081
   88    H    ARG  74           H        ARG  74  -8.740   7.453   0.703
   89    HA   ARG  74           HA       ARG  74  -6.445   6.881  -0.762
   90   1HB   ARG  74          1HB       ARG  74  -8.111   9.387  -0.614
   91   2HB   ARG  74          2HB       ARG  74  -6.792   9.178  -1.756
   92   1HG   ARG  74          1HG       ARG  74  -7.985   7.095  -2.551
   93   2HG   ARG  74          2HG       ARG  74  -9.371   7.648  -1.607
   94   1HD   ARG  74          1HD       ARG  74  -9.582   8.348  -3.925
   95   2HD   ARG  74          2HD       ARG  74  -9.381   9.747  -2.872
   96    HE   ARG  74           HE       ARG  74  -6.918   9.528  -3.584
   97   1HH1  ARG  74          1HH1      ARG  74  -9.690   8.912  -5.621
   98   2HH1  ARG  74          2HH1      ARG  74  -8.837   9.217  -7.095
   99   1HH2  ARG  74          1HH2      ARG  74  -5.789   9.948  -5.515
  100   2HH2  ARG  74          2HH2      ARG  74  -6.612   9.821  -7.037
  101    H    ASP  75           H        ASP  75  -6.975   9.451   1.623
  102    HA   ASP  75           HA       ASP  75  -4.432  10.627   1.410
  103   1HB   ASP  75          1HB       ASP  75  -6.278  11.779   2.495
  104   2HB   ASP  75          2HB       ASP  75  -6.331  10.557   3.761
  105    H    MET  76           H        MET  76  -5.602   7.944   3.354
  106    HA   MET  76           HA       MET  76  -3.337   7.722   5.034
  107   1HB   MET  76          1HB       MET  76  -5.520   6.692   5.549
  108   2HB   MET  76          2HB       MET  76  -5.305   5.583   4.202
  109   1HG   MET  76          1HG       MET  76  -3.399   4.577   5.280
  110   2HG   MET  76          2HG       MET  76  -3.486   5.748   6.593
  111   1HE   MET  76          1HE       MET  76  -5.271   2.759   4.800
  112   2HE   MET  76          2HE       MET  76  -6.548   3.975   4.822
  113   3HE   MET  76          3HE       MET  76  -6.697   2.521   5.810
  114    H    GLY  77           H        GLY  77  -4.202   6.213   1.947
  115   1HA   GLY  77          1HA       GLY  77  -1.726   6.053   0.845
  116   2HA   GLY  77          2HA       GLY  77  -1.784   4.637   1.884
  117    H    ILE  78           H        ILE  78  -4.390   6.097  -0.027
  118    HA   ILE  78           HA       ILE  78  -4.396   3.666  -1.679
  119    HB   ILE  78           HB       ILE  78  -6.877   5.015  -0.591
  120   1HG1  ILE  78          1HG1      ILE  78  -5.592   3.661   1.090
  121   2HG1  ILE  78          2HG1      ILE  78  -7.217   3.067   0.777
  122   1HG2  ILE  78          1HG2      ILE  78  -6.573   2.565  -2.318
  123   2HG2  ILE  78          2HG2      ILE  78  -7.244   4.120  -2.811
  124   3HG2  ILE  78          3HG2      ILE  78  -8.086   3.137  -1.612
  125   1HD1  ILE  78          1HD1      ILE  78  -6.234   1.378  -0.752
  126   2HD1  ILE  78          2HD1      ILE  78  -5.738   1.207   0.930
  127   3HD1  ILE  78          3HD1      ILE  78  -4.635   1.920  -0.245
  128    H    GLN  79           H        GLN  79  -4.919   3.947  -3.823
  129    HA   GLN  79           HA       GLN  79  -5.163   6.740  -4.709
  130   1HB   GLN  79          1HB       GLN  79  -3.067   5.531  -5.350
  131   2HB   GLN  79          2HB       GLN  79  -4.052   4.398  -6.263
  132   1HG   GLN  79          1HG       GLN  79  -4.813   6.199  -7.709
  133   2HG   GLN  79          2HG       GLN  79  -3.874   7.360  -6.772
  134   1HE2  GLN  79          1HE2      GLN  79  -1.613   7.280  -6.878
  135   2HE2  GLN  79          2HE2      GLN  79  -0.798   6.533  -8.211
  136    H    ASP  80           H        ASP  80  -6.015   3.424  -5.653
  137    HA   ASP  80           HA       ASP  80  -8.069   4.244  -7.446
  138   1HB   ASP  80          1HB       ASP  80  -7.985   1.496  -6.247
  139   2HB   ASP  80          2HB       ASP  80  -8.430   1.982  -7.879
  140    H    ASP  81           H        ASP  81  -9.857   5.211  -6.742
  141    HA   ASP  81           HA       ASP  81 -10.924   4.710  -4.115
  142   1HB   ASP  81          1HB       ASP  81 -12.536   6.401  -4.577
  143   2HB   ASP  81          2HB       ASP  81 -11.029   6.949  -5.298
  144    H    GLU  82           H        GLU  82 -11.346   3.435  -7.259
  145    HA   GLU  82           HA       GLU  82 -13.965   2.447  -7.120
  146   1HB   GLU  82          1HB       GLU  82 -12.694   2.446  -9.196
  147   2HB   GLU  82          2HB       GLU  82 -11.536   1.311  -8.519
  148   1HG   GLU  82          1HG       GLU  82 -13.778  -0.108  -8.190
  149   2HG   GLU  82          2HG       GLU  82 -14.240   0.845  -9.599
  150    H    LEU  83           H        LEU  83 -10.888   0.844  -6.345
  151    HA   LEU  83           HA       LEU  83 -11.999  -1.538  -5.359
  152   1HB   LEU  83          1HB       LEU  83  -9.360  -0.164  -5.046
  153   2HB   LEU  83          2HB       LEU  83  -9.727  -1.530  -4.014
  154    HG   LEU  83           HG       LEU  83  -8.433  -2.297  -5.884
  155   1HD1  LEU  83          1HD1      LEU  83  -9.833  -4.036  -6.727
  156   2HD1  LEU  83          2HD1      LEU  83 -11.290  -3.113  -6.364
  157   3HD1  LEU  83          3HD1      LEU  83 -10.285  -3.726  -5.051
  158   1HD2  LEU  83          1HD2      LEU  83  -9.201  -2.073  -8.194
  159   2HD2  LEU  83          2HD2      LEU  83  -8.905  -0.500  -7.452
  160   3HD2  LEU  83          3HD2      LEU  83 -10.557  -1.087  -7.647
  161    H    SER  84           H        SER  84 -11.288   1.539  -3.855
  162    HA   SER  84           HA       SER  84 -11.670   0.781  -1.170
  163   1HB   SER  84          1HB       SER  84 -12.174   3.497  -2.418
  164   2HB   SER  84          2HB       SER  84 -11.861   3.166  -0.714
  165    HG   SER  84           HG       SER  84 -10.080   2.890  -2.906
  166    H    LEU  85           H        LEU  85 -13.886   2.104  -3.611
  167    HA   LEU  85           HA       LEU  85 -16.168   2.239  -1.962
  168   1HB   LEU  85          1HB       LEU  85 -15.704   3.212  -4.344
  169   2HB   LEU  85          2HB       LEU  85 -16.319   1.673  -4.907
  170    HG   LEU  85           HG       LEU  85 -17.970   3.584  -4.863
  171   1HD1  LEU  85          1HD1      LEU  85 -19.814   2.220  -3.992
  172   2HD1  LEU  85          2HD1      LEU  85 -18.641   1.112  -3.280
  173   3HD1  LEU  85          3HD1      LEU  85 -18.728   1.297  -5.032
  174   1HD2  LEU  85          1HD2      LEU  85 -17.986   3.102  -1.895
  175   2HD2  LEU  85          2HD2      LEU  85 -18.937   4.274  -2.808
  176   3HD2  LEU  85          3HD2      LEU  85 -17.192   4.475  -2.667
  177    H    ARG  86           H        ARG  86 -14.979  -0.265  -4.173
  178    HA   ARG  86           HA       ARG  86 -17.093  -2.072  -3.895
  179   1HB   ARG  86          1HB       ARG  86 -14.161  -2.552  -4.449
  180   2HB   ARG  86          2HB       ARG  86 -15.393  -3.802  -4.573
  181   1HG   ARG  86          1HG       ARG  86 -16.451  -2.722  -6.381
  182   2HG   ARG  86          2HG       ARG  86 -15.550  -1.229  -6.116
  183   1HD   ARG  86          1HD       ARG  86 -14.619  -2.348  -8.016
  184   2HD   ARG  86          2HD       ARG  86 -13.468  -2.460  -6.688
  185    HE   ARG  86           HE       ARG  86 -14.986  -4.762  -6.568
  186   1HH1  ARG  86          1HH1      ARG  86 -12.874  -3.226  -8.923
  187   2HH1  ARG  86          2HH1      ARG  86 -12.385  -4.739  -9.627
  188   1HH2  ARG  86          1HH2      ARG  86 -14.330  -6.718  -7.487
  189   2HH2  ARG  86          2HH2      ARG  86 -13.205  -6.723  -8.814
  190    H    ALA  87           H        ALA  87 -14.129  -1.701  -1.998
  191    HA   ALA  87           HA       ALA  87 -14.571  -3.908  -0.288
  192   1HB   ALA  87          1HB       ALA  87 -13.001  -1.397   0.272
  193   2HB   ALA  87          2HB       ALA  87 -12.387  -2.808  -0.591
  194   3HB   ALA  87          3HB       ALA  87 -12.847  -2.944   1.107
  195    H    LEU  88           H        LEU  88 -15.323  -0.451   0.038
  196    HA   LEU  88           HA       LEU  88 -16.429  -0.563   2.626
  197   1HB   LEU  88          1HB       LEU  88 -16.415   1.328   0.369
  198   2HB   LEU  88          2HB       LEU  88 -17.823   1.452   1.403
  199    HG   LEU  88           HG       LEU  88 -16.027   3.033   2.017
  200   1HD1  LEU  88          1HD1      LEU  88 -16.619   0.922   4.082
  201   2HD1  LEU  88          2HD1      LEU  88 -17.616   2.327   3.703
  202   3HD1  LEU  88          3HD1      LEU  88 -16.018   2.545   4.415
  203   1HD2  LEU  88          1HD2      LEU  88 -14.476   0.546   2.712
  204   2HD2  LEU  88          2HD2      LEU  88 -14.001   2.200   3.094
  205   3HD2  LEU  88          3HD2      LEU  88 -14.100   1.676   1.413
  206    H    GLN  89           H        GLN  89 -17.797  -1.036  -0.561
  207    HA   GLN  89           HA       GLN  89 -20.508  -1.205   0.186
  208   1HB   GLN  89          1HB       GLN  89 -19.813  -0.802  -2.107
  209   2HB   GLN  89          2HB       GLN  89 -19.018  -2.367  -2.171
  210   1HG   GLN  89          1HG       GLN  89 -21.214  -3.450  -1.883
  211   2HG   GLN  89          2HG       GLN  89 -21.972  -1.858  -1.936
  212   1HE2  GLN  89          1HE2      GLN  89 -20.218  -4.261  -3.762
  213   2HE2  GLN  89          2HE2      GLN  89 -20.630  -3.648  -5.327
  214    H    ALA  90           H        ALA  90 -17.993  -3.663  -0.209
  215    HA   ALA  90           HA       ALA  90 -19.678  -5.897   0.260
  216   1HB   ALA  90          1HB       ALA  90 -16.709  -5.496   0.301
  217   2HB   ALA  90          2HB       ALA  90 -17.690  -6.393  -0.858
  218   3HB   ALA  90          3HB       ALA  90 -17.429  -7.037   0.762
  219    H    THR  91           H        THR  91 -17.738  -3.858   2.377
  220    HA   THR  91           HA       THR  91 -18.125  -5.560   4.666
  221    HB   THR  91           HB       THR  91 -17.085  -3.605   5.897
  222    HG1  THR  91           HG1      THR  91 -16.292  -2.600   3.395
  223   1HG2  THR  91          1HG2      THR  91 -15.759  -5.500   5.166
  224   2HG2  THR  91          2HG2      THR  91 -14.849  -4.010   4.918
  225   3HG2  THR  91          3HG2      THR  91 -15.619  -4.812   3.549
  226    H    GLY  92           H        GLY  92 -19.820  -2.915   3.223
  227   1HA   GLY  92          1HA       GLY  92 -22.037  -2.346   3.774
  228   2HA   GLY  92          2HA       GLY  92 -21.815  -3.092   5.351
  229    H    GLY  93           H        GLY  93 -19.177  -1.184   4.630
  230   1HA   GLY  93          1HA       GLY  93 -19.073   1.255   4.827
  231   2HA   GLY  93          2HA       GLY  93 -20.395   1.146   5.976
  232    H    ASP  94           H        ASP  94 -17.245  -0.518   5.671
  233    HA   ASP  94           HA       ASP  94 -16.517   0.608   8.274
  234   1HB   ASP  94          1HB       ASP  94 -17.453  -1.745   8.548
  235   2HB   ASP  94          2HB       ASP  94 -16.046  -2.307   7.648
  236    H    ILE  95           H        ILE  95 -14.532   1.416   8.267
  237    HA   ILE  95           HA       ILE  95 -12.955   1.361   5.904
  238    HB   ILE  95           HB       ILE  95 -12.322   2.436   8.649
  239   1HG1  ILE  95          1HG1      ILE  95 -14.233   3.519   7.545
  240   2HG1  ILE  95          2HG1      ILE  95 -12.863   4.614   7.669
  241   1HG2  ILE  95          1HG2      ILE  95 -10.865   2.854   6.045
  242   2HG2  ILE  95          2HG2      ILE  95 -10.262   1.988   7.457
  243   3HG2  ILE  95          3HG2      ILE  95 -10.545   3.727   7.543
  244   1HD1  ILE  95          1HD1      ILE  95 -13.901   4.864   5.524
  245   2HD1  ILE  95          2HD1      ILE  95 -13.773   3.134   5.214
  246   3HD1  ILE  95          3HD1      ILE  95 -12.316   4.121   5.310
  247    H    GLN  96           H        GLN  96 -12.273   0.114   9.198
  248    HA   GLN  96           HA       GLN  96  -9.795  -1.033   8.516
  249   1HB   GLN  96          1HB       GLN  96 -11.699  -1.432  10.789
  250   2HB   GLN  96          2HB       GLN  96 -10.328  -2.516  10.599
  251   1HG   GLN  96          1HG       GLN  96 -10.215   0.472  10.926
  252   2HG   GLN  96          2HG       GLN  96  -9.791  -0.735  12.136
  253   1HE2  GLN  96          1HE2      GLN  96  -8.441  -2.492  10.246
  254   2HE2  GLN  96          2HE2      GLN  96  -6.948  -1.719   9.841
  255    H    ALA  97           H        ALA  97 -13.063  -2.434   8.570
  256    HA   ALA  97           HA       ALA  97 -12.215  -5.069   7.962
  257   1HB   ALA  97          1HB       ALA  97 -14.460  -4.390   8.882
  258   2HB   ALA  97          2HB       ALA  97 -14.495  -5.579   7.581
  259   3HB   ALA  97          3HB       ALA  97 -14.888  -3.894   7.245
  260    H    ALA  98           H        ALA  98 -12.968  -2.267   5.993
  261    HA   ALA  98           HA       ALA  98 -13.083  -3.588   3.493
  262   1HB   ALA  98          1HB       ALA  98 -13.980  -1.353   3.781
  263   2HB   ALA  98          2HB       ALA  98 -12.740  -1.347   2.527
  264   3HB   ALA  98          3HB       ALA  98 -12.370  -0.727   4.136
  265    H    LEU  99           H        LEU  99 -10.496  -2.343   5.462
  266    HA   LEU  99           HA       LEU  99  -8.428  -2.375   3.559
  267   1HB   LEU  99          1HB       LEU  99  -8.340  -2.777   6.551
  268   2HB   LEU  99          2HB       LEU  99  -6.930  -2.516   5.547
  269    HG   LEU  99           HG       LEU  99  -9.173  -0.554   6.036
  270   1HD1  LEU  99          1HD1      LEU  99  -6.257  -0.454   6.796
  271   2HD1  LEU  99          2HD1      LEU  99  -7.585  -0.828   7.895
  272   3HD1  LEU  99          3HD1      LEU  99  -7.478   0.767   7.151
  273   1HD2  LEU  99          1HD2      LEU  99  -7.817   1.014   4.703
  274   2HD2  LEU  99          2HD2      LEU  99  -8.406  -0.348   3.749
  275   3HD2  LEU  99          3HD2      LEU  99  -6.727  -0.309   4.289
  276    H    GLU 100           H        GLU 100  -9.790  -4.848   5.644
  277    HA   GLU 100           HA       GLU 100  -7.836  -6.837   4.985
  278   1HB   GLU 100          1HB       GLU 100 -10.596  -7.393   6.052
  279   2HB   GLU 100          2HB       GLU 100  -9.125  -8.327   6.296
  280   1HG   GLU 100          1HG       GLU 100  -8.207  -6.437   7.613
  281   2HG   GLU 100          2HG       GLU 100  -9.760  -5.623   7.454
  282    H    LEU 101           H        LEU 101 -10.924  -5.807   3.760
  283    HA   LEU 101           HA       LEU 101 -11.599  -7.983   2.135
  284   1HB   LEU 101          1HB       LEU 101 -12.963  -5.889   2.756
  285   2HB   LEU 101          2HB       LEU 101 -12.137  -5.101   1.430
  286    HG   LEU 101           HG       LEU 101 -14.471  -5.974   0.975
  287   1HD1  LEU 101          1HD1      LEU 101 -12.952  -5.339  -0.815
  288   2HD1  LEU 101          2HD1      LEU 101 -13.942  -6.726  -1.274
  289   3HD1  LEU 101          3HD1      LEU 101 -12.255  -6.959  -0.810
  290   1HD2  LEU 101          1HD2      LEU 101 -13.054  -8.634   0.947
  291   2HD2  LEU 101          2HD2      LEU 101 -14.714  -8.328   0.440
  292   3HD2  LEU 101          3HD2      LEU 101 -14.258  -8.116   2.128
  293    H    ILE 102           H        ILE 102  -9.817  -5.007   1.325
  294    HA   ILE 102           HA       ILE 102  -9.209  -5.807  -1.331
  295    HB   ILE 102           HB       ILE 102  -7.604  -3.840   0.304
  296   1HG1  ILE 102          1HG1      ILE 102 -10.098  -3.239  -1.302
  297   2HG1  ILE 102          2HG1      ILE 102 -10.076  -3.390   0.453
  298   1HG2  ILE 102          1HG2      ILE 102  -6.662  -4.458  -1.856
  299   2HG2  ILE 102          2HG2      ILE 102  -7.215  -2.784  -1.871
  300   3HG2  ILE 102          3HG2      ILE 102  -8.179  -4.037  -2.652
  301   1HD1  ILE 102          1HD1      ILE 102  -8.587  -1.345  -1.183
  302   2HD1  ILE 102          2HD1      ILE 102  -8.502  -1.508   0.571
  303   3HD1  ILE 102          3HD1      ILE 102 -10.026  -1.065  -0.198
  304    H    PHE 103           H        PHE 103  -7.487  -6.018   1.735
  305    HA   PHE 103           HA       PHE 103  -5.006  -6.893   0.800
  306   1HB   PHE 103          1HB       PHE 103  -5.704  -6.132   3.154
  307   2HB   PHE 103          2HB       PHE 103  -6.216  -7.797   3.405
  308    HD1  PHE 103           HD1      PHE 103  -3.304  -5.665   2.607
  309    HD2  PHE 103           HD2      PHE 103  -4.665  -9.470   3.935
  310    HE1  PHE 103           HE1      PHE 103  -1.002  -6.266   3.236
  311    HE2  PHE 103           HE2      PHE 103  -2.367 -10.076   4.562
  312    HZ   PHE 103           HZ       PHE 103  -0.532  -8.476   4.216
  313    H    ALA 104           H        ALA 104  -7.969  -8.695   1.443
  314    HA   ALA 104           HA       ALA 104  -6.613 -11.227   0.936
  315   1HB   ALA 104          1HB       ALA 104  -9.532 -10.743   1.508
  316   2HB   ALA 104          2HB       ALA 104  -8.308 -11.036   2.742
  317   3HB   ALA 104          3HB       ALA 104  -8.681 -12.286   1.556
  318    H    GLY 105           H        GLY 105  -8.369  -8.848  -0.747
  319   1HA   GLY 105          1HA       GLY 105  -8.761  -8.700  -3.025
  320   2HA   GLY 105          2HA       GLY 105  -8.213 -10.363  -3.202
  321    H    GLY 106           H        GLY 106 -10.721  -9.214  -1.031
  322   1HA   GLY 106          1HA       GLY 106 -13.082  -9.268  -1.787
  323   2HA   GLY 106          2HA       GLY 106 -12.673 -10.765  -2.616
  324    H    ALA 107           H        ALA 107 -14.194 -11.981  -1.502
  325    HA   ALA 107           HA       ALA 107 -13.897 -12.158   1.406
  326   1HB   ALA 107          1HB       ALA 107 -16.156 -11.817   0.440
  327   2HB   ALA 107          2HB       ALA 107 -16.021 -13.278   1.418
  328   3HB   ALA 107          3HB       ALA 107 -16.018 -13.393  -0.342
  329    HA   PRO 108           HA       PRO 108 -11.429 -15.821   0.409
  330   1HB   PRO 108          1HB       PRO 108 -10.562 -16.223   2.965
  331   2HB   PRO 108          2HB       PRO 108  -9.805 -15.085   1.844
  332   1HG   PRO 108          1HG       PRO 108 -11.745 -14.570   4.058
  333   2HG   PRO 108          2HG       PRO 108 -10.327 -13.627   3.567
  334   1HD   PRO 108          1HD       PRO 108 -12.860 -12.923   2.910
  335   2HD   PRO 108          2HD       PRO 108 -11.465 -12.560   1.876
  336   1H    MET   1          1H        MET   1  19.284   1.315   4.435
  337   2H    MET   1          2H        MET   1  20.268   0.943   5.763
  338   3H    MET   1          3H        MET   1  20.478   2.401   4.941
  339    HA   MET   1           HA       MET   1  19.306   2.568   7.105
  340   1HB   MET   1          1HB       MET   1  17.682   4.174   6.302
  341   2HB   MET   1          2HB       MET   1  19.145   4.297   5.339
  342   1HG   MET   1          1HG       MET   1  18.068   2.978   3.566
  343   2HG   MET   1          2HG       MET   1  16.592   2.919   4.529
  344   1HE   MET   1          1HE       MET   1  16.439   3.899   1.591
  345   2HE   MET   1          2HE       MET   1  15.488   5.378   1.740
  346   3HE   MET   1          3HE       MET   1  15.061   3.954   2.689
  347    H    GLN   2           H        GLN   2  17.297   2.324   8.201
  348    HA   GLN   2           HA       GLN   2  15.932  -0.144   7.431
  349   1HB   GLN   2          1HB       GLN   2  16.504  -0.471   9.610
  350   2HB   GLN   2          2HB       GLN   2  16.522   1.245   9.977
  351   1HG   GLN   2          1HG       GLN   2  14.003   1.158   9.917
  352   2HG   GLN   2          2HG       GLN   2  14.158  -0.598   9.869
  353   1HE2  GLN   2          1HE2      GLN   2  14.768   2.280  11.758
  354   2HE2  GLN   2          2HE2      GLN   2  14.890   1.476  13.287
  355    H    ILE   3           H        ILE   3  13.858  -0.195   6.795
  356    HA   ILE   3           HA       ILE   3  12.245   2.247   7.145
  357    HB   ILE   3           HB       ILE   3  11.107   1.731   5.002
  358   1HG1  ILE   3          1HG1      ILE   3  13.406  -0.103   4.360
  359   2HG1  ILE   3          2HG1      ILE   3  11.913  -0.720   5.058
  360   1HG2  ILE   3          1HG2      ILE   3  12.931   2.520   3.527
  361   2HG2  ILE   3          2HG2      ILE   3  14.075   2.230   4.836
  362   3HG2  ILE   3          3HG2      ILE   3  12.805   3.437   5.027
  363   1HD1  ILE   3          1HD1      ILE   3  11.997  -0.927   2.612
  364   2HD1  ILE   3          2HD1      ILE   3  12.093   0.830   2.488
  365   3HD1  ILE   3          3HD1      ILE   3  10.654   0.071   3.168
  366    H    PHE   4           H        PHE   4   9.912   1.860   7.199
  367    HA   PHE   4           HA       PHE   4   9.302  -0.830   8.238
  368   1HB   PHE   4          1HB       PHE   4   8.139   1.846   9.036
  369   2HB   PHE   4          2HB       PHE   4   7.523   0.293   9.590
  370    HD1  PHE   4           HD1      PHE   4   9.763   2.938  10.258
  371    HD2  PHE   4           HD2      PHE   4   9.228  -1.251  10.782
  372    HE1  PHE   4           HE1      PHE   4  11.370   2.966  12.118
  373    HE2  PHE   4           HE2      PHE   4  10.836  -1.228  12.640
  374    HZ   PHE   4           HZ       PHE   4  11.909   0.884  13.310
  375    H    VAL   5           H        VAL   5   8.017  -1.952   6.940
  376    HA   VAL   5           HA       VAL   5   6.238  -0.481   5.121
  377    HB   VAL   5           HB       VAL   5   6.913  -3.422   4.989
  378   1HG1  VAL   5          1HG1      VAL   5   4.875  -2.687   3.829
  379   2HG1  VAL   5          2HG1      VAL   5   6.114  -3.255   2.709
  380   3HG1  VAL   5          3HG1      VAL   5   5.834  -1.526   2.911
  381   1HG2  VAL   5          1HG2      VAL   5   8.970  -2.088   4.791
  382   2HG2  VAL   5          2HG2      VAL   5   8.228  -1.158   3.488
  383   3HG2  VAL   5          3HG2      VAL   5   8.547  -2.879   3.271
  384    H    LYS   6           H        LYS   6   4.341  -0.126   6.078
  385    HA   LYS   6           HA       LYS   6   3.155  -2.240   7.736
  386   1HB   LYS   6          1HB       LYS   6   3.472   0.132   8.629
  387   2HB   LYS   6          2HB       LYS   6   2.210   0.616   7.506
  388   1HG   LYS   6          1HG       LYS   6   0.612  -0.793   8.600
  389   2HG   LYS   6          2HG       LYS   6   1.862  -1.478   9.640
  390   1HD   LYS   6          2HD       LYS   6   2.256   0.839  10.526
  391   2HD   LYS   6          1HD       LYS   6   0.827   1.353   9.628
  392   1HE   LYS   6          2HE       LYS   6  -0.534  -0.256  10.873
  393   2HE   LYS   6          1HE       LYS   6   0.895  -0.780  11.759
  394   1HZ   LYS   6          1HZ       LYS   6   1.090   1.416  12.708
  395   2HZ   LYS   6          2HZ       LYS   6  -0.447   0.786  13.027
  396   3HZ   LYS   6          3HZ       LYS   6  -0.248   1.961  11.824
  397    H    THR   7           H        THR   7   1.523  -3.382   6.985
  398    HA   THR   7           HA       THR   7   0.428  -2.846   4.380
  399    HB   THR   7           HB       THR   7  -0.937  -4.916   4.867
  400    HG1  THR   7           HG1      THR   7   0.762  -5.192   7.128
  401   1HG2  THR   7          1HG2      THR   7   1.001  -6.445   4.749
  402   2HG2  THR   7          2HG2      THR   7   2.065  -5.100   5.166
  403   3HG2  THR   7          3HG2      THR   7   1.160  -5.077   3.651
  404    H    LEU   8           H        LEU   8  -2.136  -3.558   4.422
  405    HA   LEU   8           HA       LEU   8  -3.460  -1.257   5.492
  406   1HB   LEU   8          1HB       LEU   8  -4.657  -3.712   4.203
  407   2HB   LEU   8          2HB       LEU   8  -5.453  -2.170   4.440
  408    HG   LEU   8           HG       LEU   8  -2.994  -2.433   2.732
  409   1HD1  LEU   8          1HD1      LEU   8  -5.879  -2.693   1.893
  410   2HD1  LEU   8          2HD1      LEU   8  -4.670  -3.976   1.872
  411   3HD1  LEU   8          3HD1      LEU   8  -4.497  -2.584   0.805
  412   1HD2  LEU   8          1HD2      LEU   8  -5.240  -0.420   2.814
  413   2HD2  LEU   8          2HD2      LEU   8  -3.838  -0.372   1.747
  414   3HD2  LEU   8          3HD2      LEU   8  -3.627  -0.189   3.488
  415    H    THR   9           H        THR   9  -3.458  -4.719   6.195
  416    HA   THR   9           HA       THR   9  -5.499  -4.713   8.124
  417    HB   THR   9           HB       THR   9  -3.923  -6.789   8.900
  418    HG1  THR   9           HG1      THR   9  -2.841  -7.574   7.090
  419   1HG2  THR   9          1HG2      THR   9  -5.789  -6.673   6.532
  420   2HG2  THR   9          2HG2      THR   9  -6.230  -7.001   8.207
  421   3HG2  THR   9          3HG2      THR   9  -5.247  -8.160   7.311
  422    H    GLY  10           H        GLY  10  -1.991  -4.349   8.383
  423   1HA   GLY  10          1HA       GLY  10  -1.601  -2.592  10.276
  424   2HA   GLY  10          2HA       GLY  10  -2.240  -3.896  11.266
  425    H    LYS  11           H        LYS  11  -0.912  -5.774   9.260
  426    HA   LYS  11           HA       LYS  11   1.356  -6.432  10.729
  427   1HB   LYS  11          1HB       LYS  11   0.382  -8.092   9.335
  428   2HB   LYS  11          2HB       LYS  11   0.511  -7.077   7.907
  429   1HG   LYS  11          1HG       LYS  11   3.121  -7.312   8.653
  430   2HG   LYS  11          2HG       LYS  11   2.466  -8.884   9.117
  431   1HD   LYS  11          2HD       LYS  11   2.083  -7.630   6.400
  432   2HD   LYS  11          1HD       LYS  11   3.367  -8.774   6.784
  433   1HE   LYS  11          2HE       LYS  11   0.582  -9.555   7.448
  434   2HE   LYS  11          1HE       LYS  11   1.041  -9.546   5.746
  435   1HZ   LYS  11          1HZ       LYS  11   2.489 -11.010   7.890
  436   2HZ   LYS  11          2HZ       LYS  11   2.833 -11.059   6.230
  437   3HZ   LYS  11          3HZ       LYS  11   1.382 -11.709   6.817
  438    H    THR  12           H        THR  12   3.248  -5.473  10.915
  439    HA   THR  12           HA       THR  12   4.206  -3.771   8.705
  440    HB   THR  12           HB       THR  12   5.070  -3.468  11.574
  441    HG1  THR  12           HG1      THR  12   2.633  -3.205  10.974
  442   1HG2  THR  12          1HG2      THR  12   5.610  -1.190  10.873
  443   2HG2  THR  12          2HG2      THR  12   4.977  -1.526   9.261
  444   3HG2  THR  12          3HG2      THR  12   6.418  -2.366   9.835
  445    H    ILE  13           H        ILE  13   6.116  -4.302   7.820
  446    HA   ILE  13           HA       ILE  13   7.755  -6.303   9.239
  447    HB   ILE  13           HB       ILE  13   8.573  -7.024   6.989
  448   1HG1  ILE  13          1HG1      ILE  13   6.211  -5.444   5.956
  449   2HG1  ILE  13          2HG1      ILE  13   7.888  -4.936   5.798
  450   1HG2  ILE  13          1HG2      ILE  13   6.973  -8.394   8.098
  451   2HG2  ILE  13          2HG2      ILE  13   6.496  -8.290   6.405
  452   3HG2  ILE  13          3HG2      ILE  13   5.644  -7.337   7.620
  453   1HD1  ILE  13          1HD1      ILE  13   7.034  -5.950   3.756
  454   2HD1  ILE  13          2HD1      ILE  13   6.714  -7.446   4.631
  455   3HD1  ILE  13          3HD1      ILE  13   8.371  -6.875   4.439
  456    H    THR  14           H        THR  14   9.961  -6.052   9.242
  457    HA   THR  14           HA       THR  14  10.911  -3.356   8.713
  458    HB   THR  14           HB       THR  14  13.081  -4.497   9.711
  459    HG1  THR  14           HG1      THR  14  12.183  -6.620   9.677
  460   1HG2  THR  14          1HG2      THR  14  12.267  -3.973  11.986
  461   2HG2  THR  14          2HG2      THR  14  10.625  -3.862  11.352
  462   3HG2  THR  14          3HG2      THR  14  11.855  -2.716  10.820
  463    H    LEU  15           H        LEU  15  12.329  -2.836   7.086
  464    HA   LEU  15           HA       LEU  15  13.415  -5.068   5.511
  465   1HB   LEU  15          1HB       LEU  15  11.341  -3.639   4.610
  466   2HB   LEU  15          2HB       LEU  15  12.643  -2.593   4.075
  467    HG   LEU  15           HG       LEU  15  13.646  -4.666   2.963
  468   1HD1  LEU  15          1HD1      LEU  15  12.067  -6.449   2.421
  469   2HD1  LEU  15          2HD1      LEU  15  10.849  -5.686   3.444
  470   3HD1  LEU  15          3HD1      LEU  15  12.325  -6.330   4.162
  471   1HD2  LEU  15          1HD2      LEU  15  12.619  -2.892   1.685
  472   2HD2  LEU  15          2HD2      LEU  15  11.014  -3.550   2.006
  473   3HD2  LEU  15          3HD2      LEU  15  12.156  -4.455   1.012
  474    H    GLU  16           H        GLU  16  15.456  -4.856   4.822
  475    HA   GLU  16           HA       GLU  16  16.900  -2.442   5.662
  476   1HB   GLU  16          1HB       GLU  16  17.884  -5.240   5.081
  477   2HB   GLU  16          2HB       GLU  16  18.925  -3.886   5.491
  478   1HG   GLU  16          1HG       GLU  16  17.503  -3.700   7.621
  479   2HG   GLU  16          2HG       GLU  16  16.951  -5.325   7.215
  480    H    VAL  17           H        VAL  17  17.002  -1.048   4.022
  481    HA   VAL  17           HA       VAL  17  18.030  -2.014   1.449
  482    HB   VAL  17           HB       VAL  17  16.480  -0.273   0.356
  483   1HG1  VAL  17          1HG1      VAL  17  15.327  -2.804   1.519
  484   2HG1  VAL  17          2HG1      VAL  17  16.204  -2.654  -0.003
  485   3HG1  VAL  17          3HG1      VAL  17  14.627  -1.887   0.186
  486   1HG2  VAL  17          1HG2      VAL  17  15.041  -0.670   2.975
  487   2HG2  VAL  17          2HG2      VAL  17  14.354   0.099   1.544
  488   3HG2  VAL  17          3HG2      VAL  17  15.727   0.838   2.368
  489    H    GLU  18           H        GLU  18  18.750  -0.142   0.062
  490    HA   GLU  18           HA       GLU  18  20.004   1.889   1.792
  491   1HB   GLU  18          1HB       GLU  18  20.884   0.745  -0.871
  492   2HB   GLU  18          2HB       GLU  18  21.691   2.078  -0.058
  493   1HG   GLU  18          1HG       GLU  18  21.468  -0.776   0.860
  494   2HG   GLU  18          2HG       GLU  18  22.924   0.111   0.409
  495    HA   PRO  19           HA       PRO  19  17.863   5.221  -0.147
  496   1HB   PRO  19          1HB       PRO  19  20.464   6.491  -0.811
  497   2HB   PRO  19          2HB       PRO  19  19.108   7.129   0.124
  498   1HG   PRO  19          1HG       PRO  19  21.339   6.336   1.339
  499   2HG   PRO  19          2HG       PRO  19  19.749   6.018   2.057
  500   1HD   PRO  19          1HD       PRO  19  21.571   4.158   0.587
  501   2HD   PRO  19          2HD       PRO  19  20.568   3.854   2.019
  502    H    SER  20           H        SER  20  20.530   3.821  -1.937
  503    HA   SER  20           HA       SER  20  19.626   4.917  -4.461
  504   1HB   SER  20          1HB       SER  20  21.692   2.806  -4.457
  505   2HB   SER  20          2HB       SER  20  21.703   4.395  -5.221
  506    HG   SER  20           HG       SER  20  23.210   4.406  -3.565
  507    H    ASP  21           H        ASP  21  18.446   2.508  -2.622
  508    HA   ASP  21           HA       ASP  21  18.253   0.395  -4.547
  509   1HB   ASP  21          1HB       ASP  21  17.405   0.847  -1.785
  510   2HB   ASP  21          2HB       ASP  21  16.217  -0.045  -2.729
  511    H    THR  22           H        THR  22  16.761   0.056  -6.055
  512    HA   THR  22           HA       THR  22  14.874   2.116  -6.678
  513    HB   THR  22           HB       THR  22  14.373  -0.304  -8.140
  514    HG1  THR  22           HG1      THR  22  16.453  -0.738  -8.884
  515   1HG2  THR  22          1HG2      THR  22  15.078   1.056 -10.038
  516   2HG2  THR  22          2HG2      THR  22  15.787   2.245  -8.945
  517   3HG2  THR  22          3HG2      THR  22  14.040   1.995  -8.964
  518    H    ILE  23           H        ILE  23  12.600   1.943  -6.686
  519    HA   ILE  23           HA       ILE  23  11.426   0.711  -4.471
  520    HB   ILE  23           HB       ILE  23  10.105   1.631  -7.032
  521   1HG1  ILE  23          1HG1      ILE  23  11.310   3.417  -5.882
  522   2HG1  ILE  23          2HG1      ILE  23   9.573   3.666  -5.751
  523   1HG2  ILE  23          1HG2      ILE  23   8.029   1.737  -5.736
  524   2HG2  ILE  23          2HG2      ILE  23   8.859   1.013  -4.358
  525   3HG2  ILE  23          3HG2      ILE  23   8.655   0.091  -5.847
  526   1HD1  ILE  23          1HD1      ILE  23  10.570   4.185  -3.657
  527   2HD1  ILE  23          2HD1      ILE  23  11.438   2.652  -3.628
  528   3HD1  ILE  23          3HD1      ILE  23   9.682   2.671  -3.472
  529    H    GLU  24           H        GLU  24  11.831  -0.393  -7.769
  530    HA   GLU  24           HA       GLU  24  10.138  -2.626  -7.711
  531   1HB   GLU  24          1HB       GLU  24  11.384  -1.527  -9.684
  532   2HB   GLU  24          2HB       GLU  24  12.737  -2.548  -9.218
  533   1HG   GLU  24          1HG       GLU  24  11.432  -4.531  -9.587
  534   2HG   GLU  24          2HG       GLU  24   9.995  -3.562  -9.919
  535    H    ASN  25           H        ASN  25  13.541  -2.243  -6.798
  536    HA   ASN  25           HA       ASN  25  14.033  -4.980  -6.249
  537   1HB   ASN  25          1HB       ASN  25  15.765  -3.104  -6.574
  538   2HB   ASN  25          2HB       ASN  25  15.469  -2.703  -4.885
  539   1HD2  ASN  25          1HD2      ASN  25  17.471  -3.274  -4.109
  540   2HD2  ASN  25          2HD2      ASN  25  18.061  -4.908  -4.119
  541    H    VAL  26           H        VAL  26  12.773  -2.313  -4.381
  542    HA   VAL  26           HA       VAL  26  12.880  -3.437  -1.815
  543    HB   VAL  26           HB       VAL  26  10.849  -1.513  -2.979
  544   1HG1  VAL  26          1HG1      VAL  26  10.432  -0.865  -0.623
  545   2HG1  VAL  26          2HG1      VAL  26  11.415  -2.237  -0.108
  546   3HG1  VAL  26          3HG1      VAL  26   9.915  -2.510  -0.997
  547   1HG2  VAL  26          1HG2      VAL  26  12.190   0.218  -1.918
  548   2HG2  VAL  26          2HG2      VAL  26  13.158  -0.706  -3.068
  549   3HG2  VAL  26          3HG2      VAL  26  13.324  -1.001  -1.337
  550    H    LYS  27           H        LYS  27  10.362  -3.551  -4.303
  551    HA   LYS  27           HA       LYS  27   8.498  -5.082  -2.853
  552   1HB   LYS  27          1HB       LYS  27   8.921  -4.845  -5.840
  553   2HB   LYS  27          2HB       LYS  27   7.516  -5.589  -5.083
  554   1HG   LYS  27          1HG       LYS  27   6.957  -3.454  -4.030
  555   2HG   LYS  27          2HG       LYS  27   8.362  -2.713  -4.800
  556   1HD   LYS  27          2HD       LYS  27   7.417  -3.243  -7.005
  557   2HD   LYS  27          1HD       LYS  27   6.005  -3.952  -6.218
  558   1HE   LYS  27          2HE       LYS  27   5.452  -1.803  -5.228
  559   2HE   LYS  27          1HE       LYS  27   6.894  -1.086  -5.946
  560   1HZ   LYS  27          1HZ       LYS  27   5.061  -0.537  -7.317
  561   2HZ   LYS  27          2HZ       LYS  27   4.514  -2.137  -7.363
  562   3HZ   LYS  27          3HZ       LYS  27   5.957  -1.712  -8.149
  563    H    ALA  28           H        ALA  28  11.165  -5.974  -4.971
  564    HA   ALA  28           HA       ALA  28  10.638  -8.733  -5.116
  565   1HB   ALA  28          1HB       ALA  28  12.917  -8.965  -5.889
  566   2HB   ALA  28          2HB       ALA  28  13.326  -7.368  -5.260
  567   3HB   ALA  28          3HB       ALA  28  12.198  -7.522  -6.607
  568    H    LYS  29           H        LYS  29  12.251  -6.767  -2.708
  569    HA   LYS  29           HA       LYS  29  13.369  -8.976  -1.264
  570   1HB   LYS  29          1HB       LYS  29  12.899  -6.095  -0.489
  571   2HB   LYS  29          2HB       LYS  29  13.733  -7.262   0.530
  572   1HG   LYS  29          1HG       LYS  29  15.407  -7.565  -1.262
  573   2HG   LYS  29          2HG       LYS  29  14.595  -6.304  -2.190
  574   1HD   LYS  29          2HD       LYS  29  15.055  -4.683  -0.463
  575   2HD   LYS  29          1HD       LYS  29  15.755  -5.932   0.568
  576   1HE   LYS  29          2HE       LYS  29  16.815  -5.016  -2.105
  577   2HE   LYS  29          1HE       LYS  29  17.501  -4.635  -0.525
  578   1HZ   LYS  29          1HZ       LYS  29  17.310  -7.336  -1.753
  579   2HZ   LYS  29          2HZ       LYS  29  17.897  -7.019  -0.198
  580   3HZ   LYS  29          3HZ       LYS  29  18.720  -6.422  -1.547
  581    H    ILE  30           H        ILE  30  10.477  -6.975  -1.004
  582    HA   ILE  30           HA       ILE  30   9.520  -8.033   1.429
  583    HB   ILE  30           HB       ILE  30   7.994  -6.813  -0.882
  584   1HG1  ILE  30          1HG1      ILE  30   8.814  -5.627   1.778
  585   2HG1  ILE  30          2HG1      ILE  30   9.663  -5.356   0.260
  586   1HG2  ILE  30          1HG2      ILE  30   7.035  -7.397   1.919
  587   2HG2  ILE  30          2HG2      ILE  30   6.503  -8.206   0.444
  588   3HG2  ILE  30          3HG2      ILE  30   6.142  -6.497   0.691
  589   1HD1  ILE  30          1HD1      ILE  30   6.832  -4.548   0.889
  590   2HD1  ILE  30          2HD1      ILE  30   7.642  -4.312  -0.661
  591   3HD1  ILE  30          3HD1      ILE  30   8.233  -3.481   0.779
  592    H    GLN  31           H        GLN  31   9.076  -9.010  -1.931
  593    HA   GLN  31           HA       GLN  31   7.133 -10.995  -1.495
  594   1HB   GLN  31          1HB       GLN  31   7.614 -10.144  -3.720
  595   2HB   GLN  31          2HB       GLN  31   9.246 -10.795  -3.648
  596   1HG   GLN  31          1HG       GLN  31   8.309 -13.066  -3.514
  597   2HG   GLN  31          2HG       GLN  31   6.692 -12.384  -3.667
  598   1HE2  GLN  31          1HE2      GLN  31   6.297 -13.527  -5.538
  599   2HE2  GLN  31          2HE2      GLN  31   7.019 -13.099  -7.052
  600    H    ASP  32           H        ASP  32  10.648 -11.096  -1.347
  601    HA   ASP  32           HA       ASP  32  10.887 -13.906  -1.216
  602   1HB   ASP  32          1HB       ASP  32  12.730 -12.305  -1.780
  603   2HB   ASP  32          2HB       ASP  32  12.809 -11.882  -0.073
  604    H    LYS  33           H        LYS  33  10.268 -11.499   1.275
  605    HA   LYS  33           HA       LYS  33  10.579 -13.601   3.293
  606   1HB   LYS  33          1HB       LYS  33  10.557 -11.806   4.968
  607   2HB   LYS  33          2HB       LYS  33  11.831 -11.603   3.779
  608   1HG   LYS  33          1HG       LYS  33  10.762  -9.791   2.766
  609   2HG   LYS  33          2HG       LYS  33   9.210 -10.174   3.512
  610   1HD   LYS  33          2HD       LYS  33  10.233  -8.234   4.581
  611   2HD   LYS  33          1HD       LYS  33  10.124  -9.585   5.709
  612   1HE   LYS  33          2HE       LYS  33  12.536 -10.111   4.954
  613   2HE   LYS  33          1HE       LYS  33  12.539  -8.463   4.334
  614   1HZ   LYS  33          1HZ       LYS  33  13.439  -8.710   6.620
  615   2HZ   LYS  33          2HZ       LYS  33  11.898  -9.164   7.144
  616   3HZ   LYS  33          3HZ       LYS  33  12.154  -7.613   6.513
  617    H    GLU  34           H        GLU  34   8.120 -11.682   1.762
  618    HA   GLU  34           HA       GLU  34   6.182 -12.564   3.793
  619   1HB   GLU  34          1HB       GLU  34   6.287 -10.268   1.905
  620   2HB   GLU  34          2HB       GLU  34   4.706 -10.900   2.345
  621   1HG   GLU  34          1HG       GLU  34   6.812  -9.881   4.236
  622   2HG   GLU  34          2HG       GLU  34   5.317  -9.061   3.785
  623    H    GLY  35           H        GLY  35   7.035 -12.961   0.452
  624   1HA   GLY  35          1HA       GLY  35   6.321 -14.680  -0.947
  625   2HA   GLY  35          2HA       GLY  35   5.072 -15.082   0.222
  626    H    ILE  36           H        ILE  36   5.170 -11.785  -0.516
  627    HA   ILE  36           HA       ILE  36   2.726 -12.053  -2.103
  628    HB   ILE  36           HB       ILE  36   3.898  -9.514  -0.968
  629   1HG1  ILE  36          1HG1      ILE  36   1.708 -11.174   0.276
  630   2HG1  ILE  36          2HG1      ILE  36   3.395 -11.301   0.765
  631   1HG2  ILE  36          1HG2      ILE  36   1.084 -10.186  -1.821
  632   2HG2  ILE  36          2HG2      ILE  36   2.252  -9.290  -2.793
  633   3HG2  ILE  36          3HG2      ILE  36   1.678  -8.620  -1.266
  634   1HD1  ILE  36          1HD1      ILE  36   1.636  -8.870   0.955
  635   2HD1  ILE  36          2HD1      ILE  36   3.357  -8.897   1.335
  636   3HD1  ILE  36          3HD1      ILE  36   2.230  -9.863   2.287
  637    HA   PRO  37           HA       PRO  37   5.280 -11.262  -5.738
  638   1HB   PRO  37          1HB       PRO  37   2.631 -11.002  -7.030
  639   2HB   PRO  37          2HB       PRO  37   3.983 -12.062  -7.444
  640   1HG   PRO  37          1HG       PRO  37   1.769 -13.025  -6.297
  641   2HG   PRO  37          2HG       PRO  37   3.373 -13.665  -5.895
  642   1HD   PRO  37          1HD       PRO  37   1.640 -11.779  -4.344
  643   2HD   PRO  37          2HD       PRO  37   2.661 -13.113  -3.765
  644    HA   PRO  38           HA       PRO  38   5.323  -6.794  -5.795
  645   1HB   PRO  38          1HB       PRO  38   6.222  -7.269  -8.602
  646   2HB   PRO  38          2HB       PRO  38   6.941  -6.251  -7.348
  647   1HG   PRO  38          1HG       PRO  38   8.026  -8.595  -7.958
  648   2HG   PRO  38          2HG       PRO  38   7.938  -8.049  -6.273
  649   1HD   PRO  38          1HD       PRO  38   6.301 -10.100  -7.688
  650   2HD   PRO  38          2HD       PRO  38   6.858 -10.062  -6.006
  651    H    ASP  39           H        ASP  39   3.773  -8.727  -8.250
  652    HA   ASP  39           HA       ASP  39   2.462  -6.806  -9.763
  653   1HB   ASP  39          1HB       ASP  39   2.482  -9.143 -10.409
  654   2HB   ASP  39          2HB       ASP  39   1.566  -9.588  -8.976
  655    H    GLN  40           H        GLN  40   1.666  -8.087  -6.588
  656    HA   GLN  40           HA       GLN  40  -0.827  -6.526  -6.566
  657   1HB   GLN  40          1HB       GLN  40   0.195  -8.737  -4.788
  658   2HB   GLN  40          2HB       GLN  40  -1.246  -7.800  -4.426
  659   1HG   GLN  40          1HG       GLN  40  -2.394  -8.642  -6.288
  660   2HG   GLN  40          2HG       GLN  40  -0.918  -9.288  -7.004
  661   1HE2  GLN  40          1HE2      GLN  40  -1.583  -9.587  -3.613
  662   2HE2  GLN  40          2HE2      GLN  40  -1.893 -11.286  -3.616
  663    H    GLN  41           H        GLN  41   2.329  -6.117  -5.768
  664    HA   GLN  41           HA       GLN  41   1.946  -4.855  -3.192
  665   1HB   GLN  41          1HB       GLN  41   4.366  -5.093  -4.973
  666   2HB   GLN  41          2HB       GLN  41   4.373  -4.287  -3.414
  667   1HG   GLN  41          1HG       GLN  41   3.555  -6.486  -2.444
  668   2HG   GLN  41          2HG       GLN  41   3.986  -7.200  -4.000
  669   1HE2  GLN  41          1HE2      GLN  41   5.660  -8.449  -3.219
  670   2HE2  GLN  41          2HE2      GLN  41   7.141  -7.763  -2.642
  671    H    ARG  42           H        ARG  42   0.458  -3.204  -3.790
  672    HA   ARG  42           HA       ARG  42   1.450  -1.123  -5.573
  673   1HB   ARG  42          1HB       ARG  42  -1.013  -1.992  -5.393
  674   2HB   ARG  42          2HB       ARG  42  -1.100  -0.918  -4.005
  675   1HG   ARG  42          1HG       ARG  42  -0.160   0.854  -5.671
  676   2HG   ARG  42          2HG       ARG  42  -0.788  -0.257  -6.890
  677   1HD   ARG  42          1HD       ARG  42  -2.446   1.427  -6.347
  678   2HD   ARG  42          2HD       ARG  42  -2.996  -0.164  -5.823
  679    HE   ARG  42           HE       ARG  42  -1.632   1.273  -3.762
  680   1HH1  ARG  42          1HH1      ARG  42  -4.731   0.945  -5.393
  681   2HH1  ARG  42          2HH1      ARG  42  -5.641   1.434  -3.994
  682   1HH2  ARG  42          1HH2      ARG  42  -2.838   1.976  -1.960
  683   2HH2  ARG  42          2HH2      ARG  42  -4.566   2.030  -2.056
  684    H    LEU  43           H        LEU  43   3.270  -0.806  -4.089
  685    HA   LEU  43           HA       LEU  43   3.034   0.157  -1.476
  686   1HB   LEU  43          1HB       LEU  43   5.135   0.287  -3.586
  687   2HB   LEU  43          2HB       LEU  43   5.311   1.301  -2.169
  688    HG   LEU  43           HG       LEU  43   4.998  -1.699  -2.081
  689   1HD1  LEU  43          1HD1      LEU  43   7.483  -0.020  -1.771
  690   2HD1  LEU  43          2HD1      LEU  43   7.097  -1.031  -3.163
  691   3HD1  LEU  43          3HD1      LEU  43   7.374  -1.771  -1.587
  692   1HD2  LEU  43          1HD2      LEU  43   5.650   0.356   0.025
  693   2HD2  LEU  43          2HD2      LEU  43   5.826  -1.384   0.248
  694   3HD2  LEU  43          3HD2      LEU  43   4.232  -0.691  -0.047
  695    H    ILE  44           H        ILE  44   2.055   1.908  -0.791
  696    HA   ILE  44           HA       ILE  44   2.266   4.375  -2.392
  697    HB   ILE  44           HB       ILE  44  -0.125   3.593  -0.714
  698   1HG1  ILE  44          1HG1      ILE  44   0.107   2.175  -2.754
  699   2HG1  ILE  44          2HG1      ILE  44  -1.339   3.179  -2.760
  700   1HG2  ILE  44          1HG2      ILE  44   0.335   6.014  -0.945
  701   2HG2  ILE  44          2HG2      ILE  44  -1.201   5.517  -1.654
  702   3HG2  ILE  44          3HG2      ILE  44   0.185   5.841  -2.694
  703   1HD1  ILE  44          1HD1      ILE  44   1.200   3.637  -4.302
  704   2HD1  ILE  44          2HD1      ILE  44  -0.136   4.786  -4.223
  705   3HD1  ILE  44          3HD1      ILE  44  -0.382   3.195  -4.944
  706    H    PHE  45           H        PHE  45   3.268   5.951  -1.318
  707    HA   PHE  45           HA       PHE  45   3.678   5.659   1.555
  708   1HB   PHE  45          1HB       PHE  45   5.633   6.125   0.136
  709   2HB   PHE  45          2HB       PHE  45   4.883   7.622  -0.409
  710    HD1  PHE  45           HD1      PHE  45   5.503   6.002   2.903
  711    HD2  PHE  45           HD2      PHE  45   5.845   9.489   0.490
  712    HE1  PHE  45           HE1      PHE  45   6.543   7.197   4.783
  713    HE2  PHE  45           HE2      PHE  45   6.882  10.689   2.368
  714    HZ   PHE  45           HZ       PHE  45   7.236   9.544   4.516
  715    H    ALA  46           H        ALA  46   1.666   6.199   2.349
  716    HA   ALA  46           HA       ALA  46  -0.045   7.506   3.089
  717   1HB   ALA  46          1HB       ALA  46   2.090   9.634   2.987
  718   2HB   ALA  46          2HB       ALA  46   1.827   8.495   4.308
  719   3HB   ALA  46          3HB       ALA  46   0.599   9.702   3.927
  720    H    GLY  47           H        GLY  47   0.005   7.217   0.255
  721   1HA   GLY  47          1HA       GLY  47  -1.786   8.183  -1.090
  722   2HA   GLY  47          2HA       GLY  47  -1.283   9.761  -0.502
  723    H    LYS  48           H        LYS  48   1.589   8.899  -0.829
  724    HA   LYS  48           HA       LYS  48   1.827   9.753  -3.584
  725   1HB   LYS  48          1HB       LYS  48   3.253  10.511  -1.549
  726   2HB   LYS  48          2HB       LYS  48   4.140   9.019  -1.816
  727   1HG   LYS  48          1HG       LYS  48   4.758   9.711  -4.029
  728   2HG   LYS  48          2HG       LYS  48   3.732  11.141  -3.911
  729   1HD   LYS  48          2HD       LYS  48   6.062  10.595  -2.075
  730   2HD   LYS  48          1HD       LYS  48   6.181  11.560  -3.547
  731   1HE   LYS  48          2HE       LYS  48   4.316  12.149  -1.251
  732   2HE   LYS  48          1HE       LYS  48   5.881  12.917  -1.491
  733   1HZ   LYS  48          1HZ       LYS  48   5.089  13.805  -3.589
  734   2HZ   LYS  48          2HZ       LYS  48   4.074  14.284  -2.323
  735   3HZ   LYS  48          3HZ       LYS  48   3.591  13.051  -3.371
  736    H    GLN  49           H        GLN  49   1.822   8.350  -5.188
  737    HA   GLN  49           HA       GLN  49   2.152   5.549  -4.811
  738   1HB   GLN  49          1HB       GLN  49   0.678   6.364  -6.539
  739   2HB   GLN  49          2HB       GLN  49   1.993   7.239  -7.310
  740   1HG   GLN  49          1HG       GLN  49   3.078   5.144  -7.882
  741   2HG   GLN  49          2HG       GLN  49   1.798   4.245  -7.068
  742   1HE2  GLN  49          1HE2      GLN  49   1.328   3.161  -9.003
  743   2HE2  GLN  49          2HE2      GLN  49   0.452   3.928 -10.280
  744    H    LEU  50           H        LEU  50   3.940   4.305  -4.981
  745    HA   LEU  50           HA       LEU  50   6.448   5.669  -5.615
  746   1HB   LEU  50          1HB       LEU  50   6.063   2.937  -4.390
  747   2HB   LEU  50          2HB       LEU  50   7.565   3.830  -4.508
  748    HG   LEU  50           HG       LEU  50   5.188   4.511  -2.775
  749   1HD1  LEU  50          1HD1      LEU  50   6.747   2.646  -2.093
  750   2HD1  LEU  50          2HD1      LEU  50   6.570   3.967  -0.941
  751   3HD1  LEU  50          3HD1      LEU  50   8.009   3.868  -1.956
  752   1HD2  LEU  50          1HD2      LEU  50   6.112   6.577  -3.572
  753   2HD2  LEU  50          2HD2      LEU  50   7.754   6.025  -3.240
  754   3HD2  LEU  50          3HD2      LEU  50   6.641   6.336  -1.908
  755    H    GLU  51           H        GLU  51   6.958   5.583  -7.689
  756    HA   GLU  51           HA       GLU  51   6.157   3.484  -9.450
  757   1HB   GLU  51          1HB       GLU  51   6.461   5.763 -10.242
  758   2HB   GLU  51          2HB       GLU  51   8.151   5.732  -9.771
  759   1HG   GLU  51          1HG       GLU  51   8.488   3.885 -11.420
  760   2HG   GLU  51          2HG       GLU  51   6.837   4.170 -11.971
  761    H    ASP  52           H        ASP  52   7.195   1.688 -10.014
  762    HA   ASP  52           HA       ASP  52   9.171   0.536  -8.457
  763   1HB   ASP  52          1HB       ASP  52   8.498  -0.137 -11.323
  764   2HB   ASP  52          2HB       ASP  52   9.346  -1.183 -10.193
  765    H    GLY  53           H        GLY  53   9.530   2.334 -11.474
  766   1HA   GLY  53          1HA       GLY  53  12.303   1.714 -11.798
  767   2HA   GLY  53          2HA       GLY  53  11.397   2.924 -12.685
  768    H    ARG  54           H        ARG  54  10.755   3.850  -9.684
  769    HA   ARG  54           HA       ARG  54  12.952   5.773  -9.713
  770   1HB   ARG  54          1HB       ARG  54  10.427   5.673  -8.052
  771   2HB   ARG  54          2HB       ARG  54  11.626   6.951  -7.966
  772   1HG   ARG  54          1HG       ARG  54   9.910   6.255 -10.337
  773   2HG   ARG  54          2HG       ARG  54   9.756   7.669  -9.294
  774   1HD   ARG  54          1HD       ARG  54  11.048   8.724 -10.778
  775   2HD   ARG  54          2HD       ARG  54  12.382   7.767 -10.131
  776    HE   ARG  54           HE       ARG  54  10.795   6.570 -12.273
  777   1HH1  ARG  54          1HH1      ARG  54  13.735   8.241 -11.335
  778   2HH1  ARG  54          2HH1      ARG  54  14.598   7.786 -12.767
  779   1HH2  ARG  54          1HH2      ARG  54  11.944   5.977 -14.158
  780   2HH2  ARG  54          2HH2      ARG  54  13.586   6.497 -14.368
  781    H    THR  55           H        THR  55  13.898   6.384  -7.556
  782    HA   THR  55           HA       THR  55  14.468   3.918  -6.060
  783    HB   THR  55           HB       THR  55  16.455   5.222  -5.189
  784    HG1  THR  55           HG1      THR  55  15.498   7.044  -7.165
  785   1HG2  THR  55          1HG2      THR  55  17.772   4.917  -7.247
  786   2HG2  THR  55          2HG2      THR  55  16.277   4.739  -8.164
  787   3HG2  THR  55          3HG2      THR  55  16.705   3.548  -6.937
  788    H    LEU  56           H        LEU  56  15.009   4.310  -3.694
  789    HA   LEU  56           HA       LEU  56  12.748   5.373  -2.399
  790   1HB   LEU  56          1HB       LEU  56  15.454   4.599  -1.314
  791   2HB   LEU  56          2HB       LEU  56  14.081   5.027  -0.309
  792    HG   LEU  56           HG       LEU  56  13.854   2.801  -2.303
  793   1HD1  LEU  56          1HD1      LEU  56  14.557   1.212  -0.625
  794   2HD1  LEU  56          2HD1      LEU  56  14.898   2.521   0.507
  795   3HD1  LEU  56          3HD1      LEU  56  15.860   2.353  -0.961
  796   1HD2  LEU  56          1HD2      LEU  56  11.799   3.552  -1.298
  797   2HD2  LEU  56          2HD2      LEU  56  12.502   3.440   0.315
  798   3HD2  LEU  56          3HD2      LEU  56  12.221   1.977  -0.627
  799    H    SER  57           H        SER  57  15.902   6.725  -3.110
  800    HA   SER  57           HA       SER  57  15.612   9.007  -1.416
  801   1HB   SER  57          1HB       SER  57  17.522   9.829  -3.070
  802   2HB   SER  57          2HB       SER  57  17.845   8.599  -1.847
  803    HG   SER  57           HG       SER  57  17.911   7.066  -3.361
  804    H    ASP  58           H        ASP  58  14.492   8.144  -4.542
  805    HA   ASP  58           HA       ASP  58  14.238  10.667  -5.758
  806   1HB   ASP  58          1HB       ASP  58  13.070   7.979  -6.164
  807   2HB   ASP  58          2HB       ASP  58  12.133   9.324  -6.802
  808    H    TYR  59           H        TYR  59  12.067   8.837  -3.660
  809    HA   TYR  59           HA       TYR  59  10.130  11.012  -3.710
  810   1HB   TYR  59          1HB       TYR  59  10.056   8.262  -2.469
  811   2HB   TYR  59          2HB       TYR  59   8.760   9.444  -2.302
  812    HD1  TYR  59           HD1      TYR  59  10.188   6.882  -4.364
  813    HD2  TYR  59           HD2      TYR  59   7.624  10.275  -4.410
  814    HE1  TYR  59           HE1      TYR  59   9.229   6.125  -6.496
  815    HE2  TYR  59           HE2      TYR  59   6.658   9.522  -6.540
  816    HH   TYR  59           HH       TYR  59   7.298   8.110  -8.449
  817    H    ASN  60           H        ASN  60  12.874  10.860  -2.286
  818    HA   ASN  60           HA       ASN  60  13.832  11.685  -0.399
  819   1HB   ASN  60          1HB       ASN  60  12.113  13.530  -1.099
  820   2HB   ASN  60          2HB       ASN  60  11.233  13.000   0.328
  821   1HD2  ASN  60          1HD2      ASN  60  14.280  14.289  -0.815
  822   2HD2  ASN  60          2HD2      ASN  60  14.740  15.033   0.675
  823    H    ILE  61           H        ILE  61  12.715   9.111  -0.210
  824    HA   ILE  61           HA       ILE  61  11.296   8.882   2.285
  825    HB   ILE  61           HB       ILE  61  12.566   6.768   0.529
  826   1HG1  ILE  61          1HG1      ILE  61   9.638   7.428   0.909
  827   2HG1  ILE  61          2HG1      ILE  61  10.614   8.083  -0.402
  828   1HG2  ILE  61          1HG2      ILE  61  12.408   6.038   2.865
  829   2HG2  ILE  61          2HG2      ILE  61  11.304   5.140   1.822
  830   3HG2  ILE  61          3HG2      ILE  61  10.687   6.423   2.863
  831   1HD1  ILE  61          1HD1      ILE  61  10.162   5.147   0.078
  832   2HD1  ILE  61          2HD1      ILE  61  10.967   5.890  -1.304
  833   3HD1  ILE  61          3HD1      ILE  61   9.240   6.138  -1.053
  834    H    GLN  62           H        GLN  62  12.387   9.446   4.040
  835    HA   GLN  62           HA       GLN  62  15.221   8.984   4.316
  836   1HB   GLN  62          1HB       GLN  62  13.214  10.033   6.320
  837   2HB   GLN  62          2HB       GLN  62  14.960  10.090   6.488
  838   1HG   GLN  62          1HG       GLN  62  14.758  11.380   4.180
  839   2HG   GLN  62          2HG       GLN  62  13.155  11.737   4.819
  840   1HE2  GLN  62          1HE2      GLN  62  16.150  11.331   6.633
  841   2HE2  GLN  62          2HE2      GLN  62  16.207  12.949   7.239
  842    H    LYS  63           H        LYS  63  15.718   8.224   6.802
  843    HA   LYS  63           HA       LYS  63  15.004   5.451   6.776
  844   1HB   LYS  63          1HB       LYS  63  16.470   5.214   8.676
  845   2HB   LYS  63          2HB       LYS  63  17.248   6.239   7.483
  846   1HG   LYS  63          1HG       LYS  63  16.444   8.214   8.837
  847   2HG   LYS  63          2HG       LYS  63  15.999   7.055  10.091
  848   1HD   LYS  63          2HD       LYS  63  18.376   6.215   9.994
  849   2HD   LYS  63          1HD       LYS  63  18.743   7.605   8.973
  850   1HE   LYS  63          2HE       LYS  63  19.328   8.293  11.133
  851   2HE   LYS  63          1HE       LYS  63  17.749   9.022  10.848
  852   1HZ   LYS  63          1HZ       LYS  63  17.639   8.117  12.982
  853   2HZ   LYS  63          2HZ       LYS  63  18.401   6.679  12.528
  854   3HZ   LYS  63          3HZ       LYS  63  16.817   6.993  12.017
  855    H    GLU  64           H        GLU  64  13.907   4.312   8.425
  856    HA   GLU  64           HA       GLU  64  12.246   3.900   9.900
  857   1HB   GLU  64          1HB       GLU  64  13.048   6.642  10.797
  858   2HB   GLU  64          2HB       GLU  64  11.600   5.903  11.465
  859   1HG   GLU  64          1HG       GLU  64  13.169   5.284  13.006
  860   2HG   GLU  64          2HG       GLU  64  13.184   3.887  11.932
  861    H    SER  65           H        SER  65  11.823   5.316   7.214
  862    HA   SER  65           HA       SER  65   9.350   6.730   7.566
  863   1HB   SER  65          1HB       SER  65  10.693   5.669   5.066
  864   2HB   SER  65          2HB       SER  65   9.237   6.670   5.077
  865    HG   SER  65           HG       SER  65  11.886   7.348   5.595
  866    H    THR  66           H        THR  66   7.294   6.019   7.188
  867    HA   THR  66           HA       THR  66   6.961   3.116   7.242
  868    HB   THR  66           HB       THR  66   4.811   5.163   7.753
  869    HG1  THR  66           HG1      THR  66   7.041   4.730   9.187
  870   1HG2  THR  66          1HG2      THR  66   3.840   3.349   9.096
  871   2HG2  THR  66          2HG2      THR  66   5.196   2.307   8.668
  872   3HG2  THR  66          3HG2      THR  66   4.075   2.851   7.420
  873    H    LEU  67           H        LEU  67   6.720   2.242   5.312
  874    HA   LEU  67           HA       LEU  67   5.255   3.672   3.211
  875   1HB   LEU  67          1HB       LEU  67   6.754   1.051   3.045
  876   2HB   LEU  67          2HB       LEU  67   6.133   1.986   1.699
  877    HG   LEU  67           HG       LEU  67   8.356   2.866   3.546
  878   1HD1  LEU  67          1HD1      LEU  67   9.808   2.501   1.604
  879   2HD1  LEU  67          2HD1      LEU  67   8.438   1.833   0.715
  880   3HD1  LEU  67          3HD1      LEU  67   9.045   1.009   2.149
  881   1HD2  LEU  67          1HD2      LEU  67   7.143   4.121   1.090
  882   2HD2  LEU  67          2HD2      LEU  67   8.690   4.609   1.780
  883   3HD2  LEU  67          3HD2      LEU  67   7.211   4.787   2.722
  884    H    HIS  68           H        HIS  68   3.328   2.849   2.354
  885    HA   HIS  68           HA       HIS  68   2.109   0.770   4.014
  886   1HB   HIS  68          1HB       HIS  68   1.023   3.074   2.486
  887   2HB   HIS  68          2HB       HIS  68   0.009   1.638   2.601
  888    HD1  HIS  68           HD1      HIS  68   0.746   0.830   5.514
  889    HD2  HIS  68           HD2      HIS  68  -0.278   4.671   4.297
  890    HE1  HIS  68           HE1      HIS  68  -0.080   1.998   7.583
  891    HE2  HIS  68           HE2      HIS  68  -0.511   4.372   6.856
  892    H    LEU  69           H        LEU  69   2.257  -1.191   3.281
  893    HA   LEU  69           HA       LEU  69   2.516  -1.751   0.454
  894   1HB   LEU  69          1HB       LEU  69   3.850  -2.984   2.119
  895   2HB   LEU  69          2HB       LEU  69   2.378  -3.612   2.829
  896    HG   LEU  69           HG       LEU  69   1.892  -4.765   0.669
  897   1HD1  LEU  69          1HD1      LEU  69   4.659  -3.794  -0.020
  898   2HD1  LEU  69          2HD1      LEU  69   3.154  -3.387  -0.847
  899   3HD1  LEU  69          3HD1      LEU  69   3.777  -5.036  -0.906
  900   1HD2  LEU  69          1HD2      LEU  69   2.907  -5.971   2.512
  901   2HD2  LEU  69          2HD2      LEU  69   4.509  -5.440   1.999
  902   3HD2  LEU  69          3HD2      LEU  69   3.570  -6.525   0.974
  903    H    VAL  70           H        VAL  70   0.590  -1.246  -0.464
  904    HA   VAL  70           HA       VAL  70  -1.865  -2.369   0.613
  905    HB   VAL  70           HB       VAL  70  -1.497  -0.664  -1.851
  906   1HG1  VAL  70          1HG1      VAL  70  -4.000  -0.960  -0.232
  907   2HG1  VAL  70          2HG1      VAL  70  -3.602  -2.089  -1.525
  908   3HG1  VAL  70          3HG1      VAL  70  -3.809  -0.375  -1.885
  909   1HG2  VAL  70          1HG2      VAL  70  -2.035   0.111   1.008
  910   2HG2  VAL  70          2HG2      VAL  70  -2.350   1.180  -0.357
  911   3HG2  VAL  70          3HG2      VAL  70  -0.706   0.634  -0.026
  912    H    LEU  71           H        LEU  71  -2.379  -4.364   0.083
  913    HA   LEU  71           HA       LEU  71  -1.365  -5.593  -2.326
  914   1HB   LEU  71          1HB       LEU  71  -2.724  -6.497   0.139
  915   2HB   LEU  71          2HB       LEU  71  -3.085  -7.422  -1.307
  916    HG   LEU  71           HG       LEU  71  -0.650  -7.802  -1.626
  917   1HD1  LEU  71          1HD1      LEU  71   0.045  -5.764  -0.340
  918   2HD1  LEU  71          2HD1      LEU  71   0.923  -7.237   0.069
  919   3HD1  LEU  71          3HD1      LEU  71  -0.349  -6.647   1.136
  920   1HD2  LEU  71          1HD2      LEU  71  -2.035  -9.467  -0.515
  921   2HD2  LEU  71          2HD2      LEU  71  -1.775  -8.664   1.033
  922   3HD2  LEU  71          3HD2      LEU  71  -0.420  -9.421   0.197
  923    H    ARG  72           H        ARG  72  -2.340  -4.851  -4.118
  924    HA   ARG  72           HA       ARG  72  -5.234  -4.488  -4.108
  925   1HB   ARG  72          1HB       ARG  72  -3.765  -2.728  -5.078
  926   2HB   ARG  72          2HB       ARG  72  -3.251  -3.877  -6.305
  927   1HG   ARG  72          1HG       ARG  72  -5.437  -3.979  -7.242
  928   2HG   ARG  72          2HG       ARG  72  -6.116  -3.066  -5.895
  929   1HD   ARG  72          1HD       ARG  72  -5.901  -1.595  -7.765
  930   2HD   ARG  72          2HD       ARG  72  -4.696  -1.141  -6.563
  931    HE   ARG  72           HE       ARG  72  -3.451  -2.897  -8.305
  932   1HH1  ARG  72          1HH1      ARG  72  -4.921   0.286  -8.427
  933   2HH1  ARG  72          2HH1      ARG  72  -3.968   0.799  -9.788
  934   1HH2  ARG  72          1HH2      ARG  72  -2.196  -2.193 -10.083
  935   2HH2  ARG  72          2HH2      ARG  72  -2.443  -0.598 -10.726
  936    H    LEU  73           H        LEU  73  -6.083  -6.515  -4.161
  937    HA   LEU  73           HA       LEU  73  -5.248  -8.301  -6.324
  938   1HB   LEU  73          1HB       LEU  73  -6.890  -8.716  -3.842
  939   2HB   LEU  73          2HB       LEU  73  -6.861  -9.900  -5.133
  940    HG   LEU  73           HG       LEU  73  -4.215  -9.632  -4.723
  941   1HD1  LEU  73          1HD1      LEU  73  -5.443  -9.246  -2.001
  942   2HD1  LEU  73          2HD1      LEU  73  -4.569  -8.006  -2.900
  943   3HD1  LEU  73          3HD1      LEU  73  -3.732  -9.467  -2.371
  944   1HD2  LEU  73          1HD2      LEU  73  -6.049 -11.385  -3.097
  945   2HD2  LEU  73          2HD2      LEU  73  -4.344 -11.681  -3.435
  946   3HD2  LEU  73          3HD2      LEU  73  -5.520 -11.710  -4.748
  947    H    ARG  74           H        ARG  74  -7.067  -9.476  -7.452
  948    HA   ARG  74           HA       ARG  74  -8.997  -7.477  -8.337
  949   1HB   ARG  74          1HB       ARG  74  -7.857  -9.980  -9.486
  950   2HB   ARG  74          2HB       ARG  74  -9.456  -9.484 -10.022
  951   1HG   ARG  74          1HG       ARG  74  -7.730  -8.670 -11.527
  952   2HG   ARG  74          2HG       ARG  74  -8.564  -7.335 -10.738
  953   1HD   ARG  74          1HD       ARG  74  -6.191  -6.896 -10.806
  954   2HD   ARG  74          2HD       ARG  74  -6.704  -7.145  -9.139
  955    HE   ARG  74           HE       ARG  74  -5.868  -9.601  -9.864
  956   1HH1  ARG  74          1HH1      ARG  74  -4.408  -6.427 -10.053
  957   2HH1  ARG  74          2HH1      ARG  74  -2.785  -7.032  -9.961
  958   1HH2  ARG  74          1HH2      ARG  74  -3.717 -10.393  -9.723
  959   2HH2  ARG  74          2HH2      ARG  74  -2.384  -9.274  -9.789
  960    H    GLY  75           H        GLY  75 -10.388  -7.555  -6.501
  961   1HA   GLY  75          1HA       GLY  75 -12.561  -9.355  -6.800
  962   2HA   GLY  75          2HA       GLY  75 -11.581  -9.815  -5.414
  963    H    GLY  76           H        GLY  76 -14.272  -8.987  -5.260
  964   1HA   GLY  76          1HA       GLY  76 -14.983  -7.750  -3.246
  965   2HA   GLY  76          2HA       GLY  76 -13.960  -6.432  -3.804
  Start of MODEL    2
    1    H    GLY  63           H        GLY  63 -25.973  12.422   0.862
    2   1HA   GLY  63          1HA       GLY  63 -24.003  13.077  -1.243
    3   2HA   GLY  63          2HA       GLY  63 -23.554  12.461   0.342
    4    H    SER  64           H        SER  64 -22.612  10.774  -1.159
    5    HA   SER  64           HA       SER  64 -24.592   8.864  -2.120
    6   1HB   SER  64          1HB       SER  64 -21.596   8.638  -2.349
    7   2HB   SER  64          2HB       SER  64 -22.822   7.867  -3.351
    8    HG   SER  64           HG       SER  64 -21.617  10.010  -3.980
    9    H    GLN  65           H        GLN  65 -23.494   6.446  -1.796
   10    HA   GLN  65           HA       GLN  65 -23.806   6.036   1.048
   11   1HB   GLN  65          1HB       GLN  65 -23.498   4.089  -1.237
   12   2HB   GLN  65          2HB       GLN  65 -23.743   3.611   0.436
   13   1HG   GLN  65          1HG       GLN  65 -25.891   4.791   0.445
   14   2HG   GLN  65          2HG       GLN  65 -25.646   5.218  -1.250
   15   1HE2  GLN  65          1HE2      GLN  65 -26.342   2.656   0.994
   16   2HE2  GLN  65          2HE2      GLN  65 -26.864   1.500  -0.180
   17    H    TRP  66           H        TRP  66 -21.475   4.596  -1.239
   18    HA   TRP  66           HA       TRP  66 -19.603   4.245   0.958
   19   1HB   TRP  66          1HB       TRP  66 -19.312   3.363  -1.914
   20   2HB   TRP  66          2HB       TRP  66 -18.369   2.813  -0.535
   21    HD1  TRP  66           HD1      TRP  66 -19.785   1.312   1.333
   22    HE1  TRP  66           HE1      TRP  66 -21.700  -0.372   0.941
   23    HE3  TRP  66           HE3      TRP  66 -21.237   2.815  -3.328
   24    HZ2  TRP  66           HZ2      TRP  66 -23.569  -0.976  -1.082
   25    HZ3  TRP  66           HZ3      TRP  66 -23.095   1.631  -4.424
   26    HH2  TRP  66           HH2      TRP  66 -24.235  -0.223  -3.326
   27    H    GLN  67           H        GLN  67 -20.136   6.510  -1.515
   28    HA   GLN  67           HA       GLN  67 -17.538   7.202  -2.247
   29   1HB   GLN  67          1HB       GLN  67 -19.694   8.052  -3.268
   30   2HB   GLN  67          2HB       GLN  67 -19.758   9.209  -1.948
   31   1HG   GLN  67          1HG       GLN  67 -17.570  10.088  -2.636
   32   2HG   GLN  67          2HG       GLN  67 -17.575   8.975  -4.001
   33   1HE2  GLN  67          1HE2      GLN  67 -17.503  11.893  -3.951
   34   2HE2  GLN  67          2HE2      GLN  67 -18.867  12.415  -4.877
   35    HA   PRO  68           HA       PRO  68 -17.518  10.482   1.418
   36   1HB   PRO  68          1HB       PRO  68 -19.139   8.960   3.388
   37   2HB   PRO  68          2HB       PRO  68 -19.066  10.700   3.096
   38   1HG   PRO  68          1HG       PRO  68 -21.166   9.290   2.296
   39   2HG   PRO  68          2HG       PRO  68 -20.508  10.588   1.282
   40   1HD   PRO  68          1HD       PRO  68 -20.180   7.624   1.017
   41   2HD   PRO  68          2HD       PRO  68 -20.440   8.847  -0.243
   42    H    GLN  69           H        GLN  69 -17.680   7.013   1.874
   43    HA   GLN  69           HA       GLN  69 -15.838   6.904   4.048
   44   1HB   GLN  69          1HB       GLN  69 -16.870   4.807   2.146
   45   2HB   GLN  69          2HB       GLN  69 -15.773   4.446   3.468
   46   1HG   GLN  69          1HG       GLN  69 -18.451   5.747   3.850
   47   2HG   GLN  69          2HG       GLN  69 -18.196   4.006   3.914
   48   1HE2  GLN  69          1HE2      GLN  69 -18.737   3.746   6.032
   49   2HE2  GLN  69          2HE2      GLN  69 -17.807   4.377   7.345
   50    H    LEU  70           H        LEU  70 -15.522   7.063   0.613
   51    HA   LEU  70           HA       LEU  70 -12.947   5.907   0.368
   52   1HB   LEU  70          1HB       LEU  70 -14.217   7.998  -1.394
   53   2HB   LEU  70          2HB       LEU  70 -12.871   6.961  -1.820
   54    HG   LEU  70           HG       LEU  70 -15.686   6.021  -1.260
   55   1HD1  LEU  70          1HD1      LEU  70 -15.417   7.330  -3.347
   56   2HD1  LEU  70          2HD1      LEU  70 -15.871   5.649  -3.622
   57   3HD1  LEU  70          3HD1      LEU  70 -14.204   6.167  -3.878
   58   1HD2  LEU  70          1HD2      LEU  70 -14.854   3.874  -2.183
   59   2HD2  LEU  70          2HD2      LEU  70 -14.091   4.320  -0.657
   60   3HD2  LEU  70          3HD2      LEU  70 -13.221   4.542  -2.175
   61    H    GLN  71           H        GLN  71 -14.034   8.996   1.454
   62    HA   GLN  71           HA       GLN  71 -11.771  10.557   0.909
   63   1HB   GLN  71          1HB       GLN  71 -13.782  11.637   1.597
   64   2HB   GLN  71          2HB       GLN  71 -13.846  10.717   3.092
   65   1HG   GLN  71          1HG       GLN  71 -12.025  11.915   4.010
   66   2HG   GLN  71          2HG       GLN  71 -11.643  12.661   2.460
   67   1HE2  GLN  71          1HE2      GLN  71 -14.252  13.349   1.689
   68   2HE2  GLN  71          2HE2      GLN  71 -14.792  14.622   2.725
   69    H    GLN  72           H        GLN  72 -12.555   8.542   3.729
   70    HA   GLN  72           HA       GLN  72 -10.225   9.204   5.197
   71   1HB   GLN  72          1HB       GLN  72 -12.455   8.022   5.925
   72   2HB   GLN  72          2HB       GLN  72 -11.591   6.554   5.494
   73   1HG   GLN  72          1HG       GLN  72 -10.085   8.379   7.218
   74   2HG   GLN  72          2HG       GLN  72 -11.558   7.736   7.940
   75   1HE2  GLN  72          1HE2      GLN  72  -8.412   6.983   6.698
   76   2HE2  GLN  72          2HE2      GLN  72  -8.335   5.362   7.299
   77    H    LEU  73           H        LEU  73 -10.962   6.737   2.820
   78    HA   LEU  73           HA       LEU  73  -8.606   5.200   3.160
   79   1HB   LEU  73          1HB       LEU  73 -10.566   5.477   0.895
   80   2HB   LEU  73          2HB       LEU  73  -9.199   4.382   0.823
   81    HG   LEU  73           HG       LEU  73 -11.140   4.202   3.100
   82   1HD1  LEU  73          1HD1      LEU  73 -11.516   3.227   0.292
   83   2HD1  LEU  73          2HD1      LEU  73 -12.656   4.079   1.333
   84   3HD1  LEU  73          3HD1      LEU  73 -12.248   2.396   1.664
   85   1HD2  LEU  73          1HD2      LEU  73  -9.406   2.191   1.673
   86   2HD2  LEU  73          2HD2      LEU  73 -10.438   1.865   3.067
   87   3HD2  LEU  73          3HD2      LEU  73  -9.055   2.948   3.227
   88    H    ARG  74           H        ARG  74  -9.485   7.776   0.856
   89    HA   ARG  74           HA       ARG  74  -7.048   7.747  -0.562
   90   1HB   ARG  74          1HB       ARG  74  -9.082   9.934  -0.163
   91   2HB   ARG  74          2HB       ARG  74  -7.687  10.103  -1.217
   92   1HG   ARG  74          1HG       ARG  74  -8.488   8.124  -2.493
   93   2HG   ARG  74          2HG       ARG  74  -9.947   8.138  -1.499
   94   1HD   ARG  74          1HD       ARG  74 -10.123  10.612  -2.245
   95   2HD   ARG  74          2HD       ARG  74  -9.017  10.132  -3.529
   96    HE   ARG  74           HE       ARG  74 -10.711   8.483  -4.196
   97   1HH1  ARG  74          1HH1      ARG  74 -11.678  11.242  -2.276
   98   2HH1  ARG  74          2HH1      ARG  74 -13.354  11.120  -2.711
   99   1HH2  ARG  74          1HH2      ARG  74 -12.912   8.326  -4.813
  100   2HH2  ARG  74          2HH2      ARG  74 -14.051   9.469  -4.161
  101    H    ASP  75           H        ASP  75  -7.991   9.240   2.439
  102    HA   ASP  75           HA       ASP  75  -5.849  11.072   2.651
  103   1HB   ASP  75          1HB       ASP  75  -7.836  11.301   4.043
  104   2HB   ASP  75          2HB       ASP  75  -7.503   9.753   4.813
  105    H    MET  76           H        MET  76  -6.236   7.705   3.577
  106    HA   MET  76           HA       MET  76  -3.773   7.489   4.994
  107   1HB   MET  76          1HB       MET  76  -5.593   5.441   3.723
  108   2HB   MET  76          2HB       MET  76  -4.132   5.002   4.594
  109   1HG   MET  76          1HG       MET  76  -5.009   5.979   6.623
  110   2HG   MET  76          2HG       MET  76  -6.443   6.532   5.762
  111   1HE   MET  76          1HE       MET  76  -4.347   3.327   6.684
  112   2HE   MET  76          2HE       MET  76  -4.769   3.060   4.992
  113   3HE   MET  76          3HE       MET  76  -5.476   2.044   6.248
  114    H    GLY  77           H        GLY  77  -4.812   6.882   1.695
  115   1HA   GLY  77          1HA       GLY  77  -2.911   7.550   0.110
  116   2HA   GLY  77          2HA       GLY  77  -2.035   6.273   0.943
  117    H    ILE  78           H        ILE  78  -5.424   5.833   0.452
  118    HA   ILE  78           HA       ILE  78  -4.816   3.645  -1.357
  119    HB   ILE  78           HB       ILE  78  -7.536   4.417  -0.304
  120   1HG1  ILE  78          1HG1      ILE  78  -6.029   4.016   1.592
  121   2HG1  ILE  78          2HG1      ILE  78  -7.210   2.720   1.444
  122   1HG2  ILE  78          1HG2      ILE  78  -7.612   2.946  -2.206
  123   2HG2  ILE  78          2HG2      ILE  78  -8.036   2.034  -0.757
  124   3HG2  ILE  78          3HG2      ILE  78  -6.430   1.866  -1.466
  125   1HD1  ILE  78          1HD1      ILE  78  -5.072   1.794   1.979
  126   2HD1  ILE  78          2HD1      ILE  78  -4.318   2.634   0.625
  127   3HD1  ILE  78          3HD1      ILE  78  -5.486   1.347   0.325
  128    H    GLN  79           H        GLN  79  -4.186   4.893  -3.149
  129    HA   GLN  79           HA       GLN  79  -5.823   6.836  -4.376
  130   1HB   GLN  79          1HB       GLN  79  -3.282   5.627  -4.850
  131   2HB   GLN  79          2HB       GLN  79  -4.208   5.556  -6.343
  132   1HG   GLN  79          1HG       GLN  79  -4.602   7.978  -6.194
  133   2HG   GLN  79          2HG       GLN  79  -3.629   8.029  -4.726
  134   1HE2  GLN  79          1HE2      GLN  79  -1.428   7.996  -4.871
  135   2HE2  GLN  79          2HE2      GLN  79  -0.576   8.072  -6.378
  136    H    ASP  80           H        ASP  80  -5.945   3.429  -4.308
  137    HA   ASP  80           HA       ASP  80  -7.557   3.189  -6.711
  138   1HB   ASP  80          1HB       ASP  80  -6.523   1.211  -4.689
  139   2HB   ASP  80          2HB       ASP  80  -7.758   0.754  -5.856
  140    H    ASP  81           H        ASP  81  -9.075   4.809  -5.609
  141    HA   ASP  81           HA       ASP  81 -10.685   3.845  -3.457
  142   1HB   ASP  81          1HB       ASP  81 -11.998   5.820  -3.715
  143   2HB   ASP  81          2HB       ASP  81 -10.321   6.276  -3.980
  144    H    GLU  82           H        GLU  82 -10.756   3.513  -6.902
  145    HA   GLU  82           HA       GLU  82 -13.484   2.783  -7.170
  146   1HB   GLU  82          1HB       GLU  82 -11.062   2.124  -8.851
  147   2HB   GLU  82          2HB       GLU  82 -12.691   1.631  -9.282
  148   1HG   GLU  82          1HG       GLU  82 -13.353   4.018  -9.298
  149   2HG   GLU  82          2HG       GLU  82 -11.668   4.447  -9.012
  150    H    LEU  83           H        LEU  83 -10.498   0.947  -6.701
  151    HA   LEU  83           HA       LEU  83 -11.685  -1.619  -6.633
  152   1HB   LEU  83          1HB       LEU  83  -9.198  -0.948  -6.893
  153   2HB   LEU  83          2HB       LEU  83  -9.177  -0.857  -5.145
  154    HG   LEU  83           HG       LEU  83  -8.409  -3.032  -6.444
  155   1HD1  LEU  83          1HD1      LEU  83  -8.937  -4.345  -4.450
  156   2HD1  LEU  83          2HD1      LEU  83 -10.053  -3.088  -3.920
  157   3HD1  LEU  83          3HD1      LEU  83  -8.328  -2.743  -4.034
  158   1HD2  LEU  83          1HD2      LEU  83 -10.628  -3.272  -7.567
  159   2HD2  LEU  83          2HD2      LEU  83 -11.325  -3.618  -5.986
  160   3HD2  LEU  83          3HD2      LEU  83 -10.105  -4.693  -6.666
  161    H    SER  84           H        SER  84 -11.182   0.897  -4.284
  162    HA   SER  84           HA       SER  84 -11.763  -0.622  -1.963
  163   1HB   SER  84          1HB       SER  84 -12.040   2.358  -2.420
  164   2HB   SER  84          2HB       SER  84 -12.015   1.551  -0.853
  165    HG   SER  84           HG       SER  84  -9.917   1.700  -2.760
  166    H    LEU  85           H        LEU  85 -13.728   1.085  -4.315
  167    HA   LEU  85           HA       LEU  85 -16.142   1.219  -2.909
  168   1HB   LEU  85          1HB       LEU  85 -15.321   1.951  -5.391
  169   2HB   LEU  85          2HB       LEU  85 -16.323   0.570  -5.782
  170    HG   LEU  85           HG       LEU  85 -17.531   2.724  -5.930
  171   1HD1  LEU  85          1HD1      LEU  85 -18.518   0.857  -3.782
  172   2HD1  LEU  85          2HD1      LEU  85 -18.792   0.698  -5.519
  173   3HD1  LEU  85          3HD1      LEU  85 -19.500   2.049  -4.632
  174   1HD2  LEU  85          1HD2      LEU  85 -16.245   3.725  -3.980
  175   2HD2  LEU  85          2HD2      LEU  85 -17.373   2.862  -2.936
  176   3HD2  LEU  85          3HD2      LEU  85 -17.970   4.078  -4.066
  177    H    ARG  86           H        ARG  86 -14.748  -1.352  -4.889
  178    HA   ARG  86           HA       ARG  86 -16.928  -3.132  -4.765
  179   1HB   ARG  86          1HB       ARG  86 -13.982  -3.776  -5.035
  180   2HB   ARG  86          2HB       ARG  86 -15.309  -4.872  -5.389
  181   1HG   ARG  86          1HG       ARG  86 -16.032  -3.491  -7.221
  182   2HG   ARG  86          2HG       ARG  86 -14.812  -2.277  -6.826
  183   1HD   ARG  86          1HD       ARG  86 -14.112  -3.679  -8.705
  184   2HD   ARG  86          2HD       ARG  86 -13.042  -3.875  -7.318
  185    HE   ARG  86           HE       ARG  86 -14.979  -5.859  -7.141
  186   1HH1  ARG  86          1HH1      ARG  86 -12.405  -4.958  -9.328
  187   2HH1  ARG  86          2HH1      ARG  86 -12.126  -6.581  -9.871
  188   1HH2  ARG  86          1HH2      ARG  86 -14.599  -8.006  -7.823
  189   2HH2  ARG  86          2HH2      ARG  86 -13.353  -8.320  -8.998
  190    H    ALA  87           H        ALA  87 -14.039  -2.764  -2.750
  191    HA   ALA  87           HA       ALA  87 -14.588  -4.907  -0.993
  192   1HB   ALA  87          1HB       ALA  87 -12.368  -3.899  -1.219
  193   2HB   ALA  87          2HB       ALA  87 -12.911  -3.899   0.460
  194   3HB   ALA  87          3HB       ALA  87 -12.969  -2.411  -0.486
  195    H    LEU  88           H        LEU  88 -15.377  -1.462  -0.895
  196    HA   LEU  88           HA       LEU  88 -16.518  -1.400   1.676
  197   1HB   LEU  88          1HB       LEU  88 -16.463   0.324  -0.699
  198   2HB   LEU  88          2HB       LEU  88 -17.918   0.496   0.261
  199    HG   LEU  88           HG       LEU  88 -16.140   2.142   0.815
  200   1HD1  LEU  88          1HD1      LEU  88 -17.815   1.677   2.457
  201   2HD1  LEU  88          2HD1      LEU  88 -16.254   1.815   3.267
  202   3HD1  LEU  88          3HD1      LEU  88 -16.964   0.225   2.983
  203   1HD2  LEU  88          1HD2      LEU  88 -14.172   0.794   0.477
  204   2HD2  LEU  88          2HD2      LEU  88 -14.658  -0.304   1.767
  205   3HD2  LEU  88          3HD2      LEU  88 -14.210   1.358   2.148
  206    H    GLN  89           H        GLN  89 -17.853  -2.140  -1.486
  207    HA   GLN  89           HA       GLN  89 -20.567  -2.306  -0.722
  208   1HB   GLN  89          1HB       GLN  89 -20.125  -2.088  -3.025
  209   2HB   GLN  89          2HB       GLN  89 -18.954  -3.395  -3.014
  210   1HG   GLN  89          1HG       GLN  89 -21.717  -4.143  -2.310
  211   2HG   GLN  89          2HG       GLN  89 -21.456  -3.616  -3.969
  212   1HE2  GLN  89          1HE2      GLN  89 -18.751  -4.623  -4.130
  213   2HE2  GLN  89          2HE2      GLN  89 -18.859  -6.345  -4.216
  214    H    ALA  90           H        ALA  90 -17.990  -4.722  -0.937
  215    HA   ALA  90           HA       ALA  90 -19.617  -6.942  -0.232
  216   1HB   ALA  90          1HB       ALA  90 -16.625  -6.637  -0.027
  217   2HB   ALA  90          2HB       ALA  90 -17.509  -7.174  -1.455
  218   3HB   ALA  90          3HB       ALA  90 -17.522  -8.156   0.012
  219    H    THR  91           H        THR  91 -17.701  -4.657   1.642
  220    HA   THR  91           HA       THR  91 -17.955  -6.177   4.074
  221    HB   THR  91           HB       THR  91 -16.948  -4.120   5.129
  222    HG1  THR  91           HG1      THR  91 -16.264  -3.185   2.584
  223   1HG2  THR  91          1HG2      THR  91 -15.492  -5.318   2.768
  224   2HG2  THR  91          2HG2      THR  91 -15.571  -6.006   4.391
  225   3HG2  THR  91          3HG2      THR  91 -14.738  -4.474   4.121
  226    H    GLY  92           H        GLY  92 -19.760  -3.720   2.457
  227   1HA   GLY  92          1HA       GLY  92 -21.993  -3.184   2.973
  228   2HA   GLY  92          2HA       GLY  92 -21.750  -3.824   4.590
  229    H    GLY  93           H        GLY  93 -19.372  -1.682   3.326
  230   1HA   GLY  93          1HA       GLY  93 -19.223   0.670   3.563
  231   2HA   GLY  93          2HA       GLY  93 -20.598   0.623   4.654
  232    H    ASP  94           H        ASP  94 -17.541  -1.198   4.686
  233    HA   ASP  94           HA       ASP  94 -16.910   0.081   7.265
  234   1HB   ASP  94          1HB       ASP  94 -17.813  -2.327   7.417
  235   2HB   ASP  94          2HB       ASP  94 -16.286  -2.812   6.690
  236    H    ILE  95           H        ILE  95 -14.947   0.963   7.311
  237    HA   ILE  95           HA       ILE  95 -13.213   0.768   5.033
  238    HB   ILE  95           HB       ILE  95 -12.786   2.148   7.686
  239   1HG1  ILE  95          1HG1      ILE  95 -14.722   3.004   6.417
  240   2HG1  ILE  95          2HG1      ILE  95 -13.425   4.191   6.513
  241   1HG2  ILE  95          1HG2      ILE  95 -10.667   1.708   6.582
  242   2HG2  ILE  95          2HG2      ILE  95 -11.043   3.431   6.519
  243   3HG2  ILE  95          3HG2      ILE  95 -11.273   2.424   5.088
  244   1HD1  ILE  95          1HD1      ILE  95 -12.741   3.168   4.205
  245   2HD1  ILE  95          2HD1      ILE  95 -14.020   4.373   4.319
  246   3HD1  ILE  95          3HD1      ILE  95 -14.430   2.664   4.169
  247    H    GLN  96           H        GLN  96 -12.971  -0.185   8.452
  248    HA   GLN  96           HA       GLN  96 -10.364  -1.215   8.331
  249   1HB   GLN  96          1HB       GLN  96 -12.680  -1.772  10.167
  250   2HB   GLN  96          2HB       GLN  96 -11.120  -2.558  10.371
  251   1HG   GLN  96          1HG       GLN  96 -10.128  -0.221  10.418
  252   2HG   GLN  96          2HG       GLN  96 -11.786   0.351  10.610
  253   1HE2  GLN  96          1HE2      GLN  96  -9.234  -1.547  12.028
  254   2HE2  GLN  96          2HE2      GLN  96  -9.843  -1.524  13.646
  255    H    ALA  97           H        ALA  97 -13.511  -2.835   7.980
  256    HA   ALA  97           HA       ALA  97 -12.425  -5.415   7.578
  257   1HB   ALA  97          1HB       ALA  97 -14.616  -6.057   6.805
  258   2HB   ALA  97          2HB       ALA  97 -15.063  -4.371   6.554
  259   3HB   ALA  97          3HB       ALA  97 -14.787  -4.976   8.187
  260    H    ALA  98           H        ALA  98 -12.958  -2.698   5.454
  261    HA   ALA  98           HA       ALA  98 -12.693  -4.096   2.995
  262   1HB   ALA  98          1HB       ALA  98 -13.733  -1.902   3.085
  263   2HB   ALA  98          2HB       ALA  98 -12.340  -1.882   2.003
  264   3HB   ALA  98          3HB       ALA  98 -12.212  -1.184   3.617
  265    H    LEU  99           H        LEU  99 -10.446  -2.534   5.189
  266    HA   LEU  99           HA       LEU  99  -8.140  -2.522   3.619
  267   1HB   LEU  99          1HB       LEU  99  -8.780  -2.413   6.481
  268   2HB   LEU  99          2HB       LEU  99  -7.202  -3.093   6.140
  269    HG   LEU  99           HG       LEU  99  -6.483  -1.083   5.047
  270   1HD1  LEU  99          1HD1      LEU  99  -8.476  -0.434   3.875
  271   2HD1  LEU  99          2HD1      LEU  99  -7.979   0.901   4.914
  272   3HD1  LEU  99          3HD1      LEU  99  -9.325  -0.134   5.391
  273   1HD2  LEU  99          1HD2      LEU  99  -6.674   0.526   6.892
  274   2HD2  LEU  99          2HD2      LEU  99  -6.314  -1.099   7.466
  275   3HD2  LEU  99          3HD2      LEU  99  -7.951  -0.456   7.605
  276    H    GLU 100           H        GLU 100  -9.466  -5.031   5.726
  277    HA   GLU 100           HA       GLU 100  -7.388  -6.916   5.161
  278   1HB   GLU 100          1HB       GLU 100  -9.967  -6.950   6.660
  279   2HB   GLU 100          2HB       GLU 100  -9.274  -8.491   6.169
  280   1HG   GLU 100          1HG       GLU 100  -7.721  -6.424   7.692
  281   2HG   GLU 100          2HG       GLU 100  -8.678  -7.683   8.475
  282    H    LEU 101           H        LEU 101 -10.531  -6.164   3.854
  283    HA   LEU 101           HA       LEU 101 -10.995  -8.479   2.339
  284   1HB   LEU 101          1HB       LEU 101 -12.423  -6.274   2.850
  285   2HB   LEU 101          2HB       LEU 101 -11.825  -5.822   1.269
  286    HG   LEU 101           HG       LEU 101 -14.081  -6.805   1.196
  287   1HD1  LEU 101          1HD1      LEU 101 -11.953  -8.452  -0.151
  288   2HD1  LEU 101          2HD1      LEU 101 -12.690  -6.973  -0.765
  289   3HD1  LEU 101          3HD1      LEU 101 -13.662  -8.435  -0.589
  290   1HD2  LEU 101          1HD2      LEU 101 -13.780  -8.346   3.109
  291   2HD2  LEU 101          2HD2      LEU 101 -12.763  -9.365   2.089
  292   3HD2  LEU 101          3HD2      LEU 101 -14.461  -9.126   1.682
  293    H    ILE 102           H        ILE 102  -9.496  -5.387   1.423
  294    HA   ILE 102           HA       ILE 102  -8.832  -6.115  -1.217
  295    HB   ILE 102           HB       ILE 102  -7.446  -4.101   0.567
  296   1HG1  ILE 102          1HG1      ILE 102  -9.634  -3.635  -1.468
  297   2HG1  ILE 102          2HG1      ILE 102  -9.923  -3.775   0.264
  298   1HG2  ILE 102          1HG2      ILE 102  -7.475  -4.352  -2.440
  299   2HG2  ILE 102          2HG2      ILE 102  -6.103  -4.692  -1.383
  300   3HG2  ILE 102          3HG2      ILE 102  -6.722  -3.045  -1.521
  301   1HD1  ILE 102          1HD1      ILE 102  -8.326  -1.658  -1.152
  302   2HD1  ILE 102          2HD1      ILE 102  -8.403  -1.834   0.600
  303   3HD1  ILE 102          3HD1      ILE 102  -9.865  -1.462  -0.314
  304    H    PHE 103           H        PHE 103  -7.006  -6.282   1.813
  305    HA   PHE 103           HA       PHE 103  -4.562  -7.149   0.716
  306   1HB   PHE 103          1HB       PHE 103  -5.057  -6.242   3.072
  307   2HB   PHE 103          2HB       PHE 103  -5.535  -7.888   3.471
  308    HD1  PHE 103           HD1      PHE 103  -2.725  -5.735   2.474
  309    HD2  PHE 103           HD2      PHE 103  -3.912  -9.603   3.784
  310    HE1  PHE 103           HE1      PHE 103  -0.375  -6.303   2.925
  311    HE2  PHE 103           HE2      PHE 103  -1.565 -10.176   4.241
  312    HZ   PHE 103           HZ       PHE 103   0.210  -8.524   3.814
  313    H    ALA 104           H        ALA 104  -7.433  -8.897   1.750
  314    HA   ALA 104           HA       ALA 104  -6.186 -11.482   1.470
  315   1HB   ALA 104          1HB       ALA 104  -8.314 -12.399   2.054
  316   2HB   ALA 104          2HB       ALA 104  -9.125 -10.869   1.716
  317   3HB   ALA 104          3HB       ALA 104  -8.025 -11.002   3.089
  318    H    GLY 105           H        GLY 105  -8.286  -9.404  -0.435
  319   1HA   GLY 105          1HA       GLY 105  -8.708  -9.417  -2.700
  320   2HA   GLY 105          2HA       GLY 105  -7.560 -10.740  -2.860
  321    H    GLY 106           H        GLY 106 -10.268 -10.866  -0.691
  322   1HA   GLY 106          1HA       GLY 106 -11.717 -12.614  -2.556
  323   2HA   GLY 106          2HA       GLY 106 -11.316 -13.212  -0.951
  324    H    ALA 107           H        ALA 107 -13.789 -12.130  -2.646
  325    HA   ALA 107           HA       ALA 107 -14.953 -10.610  -0.409
  326   1HB   ALA 107          1HB       ALA 107 -16.462  -9.582  -2.015
  327   2HB   ALA 107          2HB       ALA 107 -15.749 -10.534  -3.318
  328   3HB   ALA 107          3HB       ALA 107 -14.784  -9.315  -2.486
  329    HA   PRO 108           HA       PRO 108 -17.630 -14.137  -0.064
  330   1HB   PRO 108          1HB       PRO 108 -19.126 -13.264   1.992
  331   2HB   PRO 108          2HB       PRO 108 -17.440 -13.750   2.210
  332   1HG   PRO 108          1HG       PRO 108 -18.616 -11.011   2.008
  333   2HG   PRO 108          2HG       PRO 108 -17.319 -11.602   3.060
  334   1HD   PRO 108          1HD       PRO 108 -16.916 -10.198   0.720
  335   2HD   PRO 108          2HD       PRO 108 -15.720 -11.273   1.467
  336   1H    MET   1          1H        MET   1  19.506   2.316   3.784
  337   2H    MET   1          2H        MET   1  20.522   1.801   5.032
  338   3H    MET   1          3H        MET   1  20.663   3.370   4.428
  339    HA   MET   1           HA       MET   1  19.517   3.205   6.599
  340   1HB   MET   1          1HB       MET   1  17.763   4.779   6.029
  341   2HB   MET   1          2HB       MET   1  19.206   5.138   5.093
  342   1HG   MET   1          1HG       MET   1  18.213   4.029   3.149
  343   2HG   MET   1          2HG       MET   1  16.765   3.684   4.095
  344   1HE   MET   1          1HE       MET   1  15.412   6.425   1.706
  345   2HE   MET   1          2HE       MET   1  15.085   4.864   2.458
  346   3HE   MET   1          3HE       MET   1  16.457   5.047   1.366
  347    H    GLN   2           H        GLN   2  17.710   2.532   7.764
  348    HA   GLN   2           HA       GLN   2  16.394   0.190   6.630
  349   1HB   GLN   2          1HB       GLN   2  17.475  -0.082   8.800
  350   2HB   GLN   2          2HB       GLN   2  16.505   1.224   9.469
  351   1HG   GLN   2          1HG       GLN   2  14.489  -0.085   9.169
  352   2HG   GLN   2          2HG       GLN   2  15.420  -1.380   8.417
  353   1HE2  GLN   2          1HE2      GLN   2  14.705   0.284  11.398
  354   2HE2  GLN   2          2HE2      GLN   2  15.339  -0.934  12.450
  355    H    ILE   3           H        ILE   3  14.392   0.234   5.939
  356    HA   ILE   3           HA       ILE   3  12.669   2.487   6.746
  357    HB   ILE   3           HB       ILE   3  11.378   1.948   4.630
  358   1HG1  ILE   3          1HG1      ILE   3  13.921   0.529   3.826
  359   2HG1  ILE   3          2HG1      ILE   3  12.484  -0.324   4.371
  360   1HG2  ILE   3          1HG2      ILE   3  12.970   3.165   3.171
  361   2HG2  ILE   3          2HG2      ILE   3  14.210   2.954   4.406
  362   3HG2  ILE   3          3HG2      ILE   3  12.770   3.907   4.758
  363   1HD1  ILE   3          1HD1      ILE   3  12.668  -0.263   1.934
  364   2HD1  ILE   3          2HD1      ILE   3  12.616   1.498   1.983
  365   3HD1  ILE   3          3HD1      ILE   3  11.217   0.561   2.507
  366    H    PHE   4           H        PHE   4  10.367   2.011   6.909
  367    HA   PHE   4           HA       PHE   4   9.917  -0.739   7.862
  368   1HB   PHE   4          1HB       PHE   4   8.692   1.886   8.723
  369   2HB   PHE   4          2HB       PHE   4   8.024   0.323   9.184
  370    HD1  PHE   4           HD1      PHE   4  10.634   2.761   9.766
  371    HD2  PHE   4           HD2      PHE   4   9.308  -1.183  10.656
  372    HE1  PHE   4           HE1      PHE   4  12.181   2.675  11.680
  373    HE2  PHE   4           HE2      PHE   4  10.849  -1.271  12.572
  374    HZ   PHE   4           HZ       PHE   4  12.290   0.659  13.085
  375    H    VAL   5           H        VAL   5   8.680  -1.926   6.564
  376    HA   VAL   5           HA       VAL   5   6.800  -0.542   4.776
  377    HB   VAL   5           HB       VAL   5   7.706  -3.415   4.584
  378   1HG1  VAL   5          1HG1      VAL   5   6.937  -3.193   2.250
  379   2HG1  VAL   5          2HG1      VAL   5   6.344  -1.574   2.629
  380   3HG1  VAL   5          3HG1      VAL   5   5.641  -2.981   3.429
  381   1HG2  VAL   5          1HG2      VAL   5   9.242  -2.686   2.819
  382   2HG2  VAL   5          2HG2      VAL   5   9.654  -1.971   4.378
  383   3HG2  VAL   5          3HG2      VAL   5   8.826  -1.004   3.157
  384    H    LYS   6           H        LYS   6   4.912  -0.325   5.820
  385    HA   LYS   6           HA       LYS   6   3.895  -2.584   7.390
  386   1HB   LYS   6          1HB       LYS   6   4.028  -0.343   8.471
  387   2HB   LYS   6          2HB       LYS   6   2.881   0.261   7.284
  388   1HG   LYS   6          1HG       LYS   6   1.128  -1.012   8.156
  389   2HG   LYS   6          2HG       LYS   6   2.225  -2.069   9.046
  390   1HD   LYS   6          2HD       LYS   6   2.865  -0.121  10.454
  391   2HD   LYS   6          1HD       LYS   6   1.626   0.828   9.629
  392   1HE   LYS   6          2HE       LYS   6  -0.108  -0.597  10.447
  393   2HE   LYS   6          1HE       LYS   6   1.063  -1.748  11.086
  394   1HZ   LYS   6          1HZ       LYS   6   0.155  -0.403  12.841
  395   2HZ   LYS   6          2HZ       LYS   6   0.622   1.021  12.058
  396   3HZ   LYS   6          3HZ       LYS   6   1.797  -0.040  12.653
  397    H    THR   7           H        THR   7   2.082  -3.638   6.860
  398    HA   THR   7           HA       THR   7   0.942  -3.088   4.230
  399    HB   THR   7           HB       THR   7  -0.201  -5.324   4.623
  400    HG1  THR   7           HG1      THR   7   1.690  -5.495   6.751
  401   1HG2  THR   7          1HG2      THR   7   1.861  -6.619   4.209
  402   2HG2  THR   7          2HG2      THR   7   2.815  -5.208   4.668
  403   3HG2  THR   7          3HG2      THR   7   1.786  -5.148   3.237
  404    H    LEU   8           H        LEU   8  -1.562  -3.980   4.301
  405    HA   LEU   8           HA       LEU   8  -3.013  -1.909   5.572
  406   1HB   LEU   8          1HB       LEU   8  -3.928  -4.468   4.264
  407   2HB   LEU   8          2HB       LEU   8  -5.018  -3.212   4.818
  408    HG   LEU   8           HG       LEU   8  -2.877  -2.745   2.742
  409   1HD1  LEU   8          1HD1      LEU   8  -5.797  -3.405   2.379
  410   2HD1  LEU   8          2HD1      LEU   8  -4.426  -4.399   1.888
  411   3HD1  LEU   8          3HD1      LEU   8  -4.717  -2.849   1.103
  412   1HD2  LEU   8          1HD2      LEU   8  -5.359  -1.158   3.376
  413   2HD2  LEU   8          2HD2      LEU   8  -4.038  -0.707   2.297
  414   3HD2  LEU   8          3HD2      LEU   8  -3.768  -0.790   4.037
  415    H    THR   9           H        THR   9  -2.661  -5.363   6.276
  416    HA   THR   9           HA       THR   9  -4.473  -5.477   8.423
  417    HB   THR   9           HB       THR   9  -2.027  -7.217   8.214
  418    HG1  THR   9           HG1      THR   9  -4.455  -7.649   6.767
  419   1HG2  THR   9          1HG2      THR   9  -4.877  -7.814   9.019
  420   2HG2  THR   9          2HG2      THR   9  -3.548  -7.519  10.139
  421   3HG2  THR   9          3HG2      THR   9  -3.513  -8.931   9.083
  422    H    GLY  10           H        GLY  10  -1.088  -4.568   8.245
  423   1HA   GLY  10          1HA       GLY  10  -0.534  -2.932  10.093
  424   2HA   GLY  10          2HA       GLY  10  -1.064  -4.212  11.177
  425    H    LYS  11           H        LYS  11   0.148  -6.147   9.159
  426    HA   LYS  11           HA       LYS  11   2.521  -6.720  10.455
  427   1HB   LYS  11          1HB       LYS  11   1.465  -8.391   9.106
  428   2HB   LYS  11          2HB       LYS  11   1.568  -7.384   7.670
  429   1HG   LYS  11          1HG       LYS  11   4.198  -7.799   8.684
  430   2HG   LYS  11          2HG       LYS  11   3.378  -9.356   8.560
  431   1HD   LYS  11          2HD       LYS  11   3.516  -7.318   6.336
  432   2HD   LYS  11          1HD       LYS  11   4.607  -8.695   6.493
  433   1HE   LYS  11          2HE       LYS  11   1.628  -9.056   6.413
  434   2HE   LYS  11          1HE       LYS  11   2.576  -8.921   4.933
  435   1HZ   LYS  11          1HZ       LYS  11   3.106 -10.920   7.062
  436   2HZ   LYS  11          2HZ       LYS  11   3.824 -10.846   5.525
  437   3HZ   LYS  11          3HZ       LYS  11   2.183 -11.231   5.678
  438    H    THR  12           H        THR  12   4.374  -5.667  10.544
  439    HA   THR  12           HA       THR  12   5.145  -3.950   8.277
  440    HB   THR  12           HB       THR  12   6.082  -3.544  11.111
  441    HG1  THR  12           HG1      THR  12   3.667  -3.403  10.728
  442   1HG2  THR  12          1HG2      THR  12   6.567  -1.291  10.330
  443   2HG2  THR  12          2HG2      THR  12   5.874  -1.667   8.753
  444   3HG2  THR  12          3HG2      THR  12   7.349  -2.473   9.283
  445    H    ILE  13           H        ILE  13   6.983  -4.445   7.280
  446    HA   ILE  13           HA       ILE  13   8.849  -6.283   8.633
  447    HB   ILE  13           HB       ILE  13   9.629  -6.956   6.397
  448   1HG1  ILE  13          1HG1      ILE  13   7.316  -5.332   5.315
  449   2HG1  ILE  13          2HG1      ILE  13   9.000  -4.815   5.255
  450   1HG2  ILE  13          1HG2      ILE  13   6.644  -7.243   6.734
  451   2HG2  ILE  13          2HG2      ILE  13   7.871  -8.233   7.524
  452   3HG2  ILE  13          3HG2      ILE  13   7.691  -8.286   5.770
  453   1HD1  ILE  13          1HD1      ILE  13   7.885  -7.290   3.958
  454   2HD1  ILE  13          2HD1      ILE  13   9.552  -6.722   3.862
  455   3HD1  ILE  13          3HD1      ILE  13   8.253  -5.772   3.140
  456    H    THR  14           H        THR  14  11.139  -5.936   8.195
  457    HA   THR  14           HA       THR  14  11.701  -3.076   7.801
  458    HB   THR  14           HB       THR  14  13.929  -3.797   8.981
  459    HG1  THR  14           HG1      THR  14  12.139  -5.724  10.084
  460   1HG2  THR  14          1HG2      THR  14  12.936  -3.292  11.164
  461   2HG2  THR  14          2HG2      THR  14  11.325  -3.561  10.497
  462   3HG2  THR  14          3HG2      THR  14  12.312  -2.219   9.914
  463    H    LEU  15           H        LEU  15  13.448  -2.455   6.503
  464    HA   LEU  15           HA       LEU  15  14.896  -4.513   5.042
  465   1HB   LEU  15          1HB       LEU  15  12.701  -3.894   3.842
  466   2HB   LEU  15          2HB       LEU  15  13.474  -2.355   3.507
  467    HG   LEU  15           HG       LEU  15  15.355  -3.695   2.427
  468   1HD1  LEU  15          1HD1      LEU  15  14.668  -5.856   3.476
  469   2HD1  LEU  15          2HD1      LEU  15  14.903  -5.931   1.731
  470   3HD1  LEU  15          3HD1      LEU  15  13.271  -5.872   2.397
  471   1HD2  LEU  15          1HD2      LEU  15  13.705  -2.430   1.152
  472   2HD2  LEU  15          2HD2      LEU  15  12.602  -3.805   1.202
  473   3HD2  LEU  15          3HD2      LEU  15  14.131  -3.934   0.331
  474    H    GLU  16           H        GLU  16  16.921  -3.903   4.593
  475    HA   GLU  16           HA       GLU  16  17.676  -1.128   5.195
  476   1HB   GLU  16          1HB       GLU  16  19.427  -3.589   5.022
  477   2HB   GLU  16          2HB       GLU  16  19.935  -1.988   5.538
  478   1HG   GLU  16          1HG       GLU  16  18.733  -2.135   7.544
  479   2HG   GLU  16          2HG       GLU  16  17.795  -3.517   6.977
  480    H    VAL  17           H        VAL  17  17.494  -0.027   3.330
  481    HA   VAL  17           HA       VAL  17  19.065  -0.992   1.039
  482    HB   VAL  17           HB       VAL  17  17.236   0.283  -0.356
  483   1HG1  VAL  17          1HG1      VAL  17  16.859  -2.498   0.749
  484   2HG1  VAL  17          2HG1      VAL  17  17.780  -2.043  -0.687
  485   3HG1  VAL  17          3HG1      VAL  17  16.026  -1.853  -0.667
  486   1HG2  VAL  17          1HG2      VAL  17  15.582  -0.696   1.967
  487   2HG2  VAL  17          2HG2      VAL  17  15.010   0.130   0.519
  488   3HG2  VAL  17          3HG2      VAL  17  15.999   0.994   1.695
  489    H    GLU  18           H        GLU  18  19.336   0.840  -0.598
  490    HA   GLU  18           HA       GLU  18  20.202   3.211   0.888
  491   1HB   GLU  18          1HB       GLU  18  20.922   2.174  -1.861
  492   2HB   GLU  18          2HB       GLU  18  21.513   3.690  -1.194
  493   1HG   GLU  18          1HG       GLU  18  21.992   0.971   0.008
  494   2HG   GLU  18          2HG       GLU  18  23.134   1.847  -1.011
  495    HA   PRO  19           HA       PRO  19  17.000   5.763  -0.795
  496   1HB   PRO  19          1HB       PRO  19  19.067   7.815  -1.358
  497   2HB   PRO  19          2HB       PRO  19  17.613   7.927  -0.362
  498   1HG   PRO  19          1HG       PRO  19  20.030   7.777   0.759
  499   2HG   PRO  19          2HG       PRO  19  18.633   6.953   1.475
  500   1HD   PRO  19          1HD       PRO  19  20.872   5.822  -0.152
  501   2HD   PRO  19          2HD       PRO  19  20.063   5.147   1.277
  502    H    SER  20           H        SER  20  19.914   5.184  -2.586
  503    HA   SER  20           HA       SER  20  18.920   6.245  -5.074
  504   1HB   SER  20          1HB       SER  20  21.253   4.396  -5.001
  505   2HB   SER  20          2HB       SER  20  21.048   5.922  -5.864
  506    HG   SER  20           HG       SER  20  21.274   6.993  -3.834
  507    H    ASP  21           H        ASP  21  18.255   3.469  -3.371
  508    HA   ASP  21           HA       ASP  21  18.246   1.578  -5.526
  509   1HB   ASP  21          1HB       ASP  21  17.524   1.562  -2.675
  510   2HB   ASP  21          2HB       ASP  21  16.517   0.525  -3.679
  511    H    THR  22           H        THR  22  16.603   0.973  -6.840
  512    HA   THR  22           HA       THR  22  14.441   2.827  -7.177
  513    HB   THR  22           HB       THR  22  13.849   0.725  -8.830
  514    HG1  THR  22           HG1      THR  22  15.721  -0.229  -9.489
  515   1HG2  THR  22          1HG2      THR  22  14.931   2.032 -10.587
  516   2HG2  THR  22          2HG2      THR  22  15.821   2.949  -9.370
  517   3HG2  THR  22          3HG2      THR  22  14.065   3.086  -9.468
  518    H    ILE  23           H        ILE  23  12.223   2.378  -7.011
  519    HA   ILE  23           HA       ILE  23  11.410   0.921  -4.771
  520    HB   ILE  23           HB       ILE  23   9.722   1.720  -7.148
  521   1HG1  ILE  23          1HG1      ILE  23  10.912   3.638  -6.205
  522   2HG1  ILE  23          2HG1      ILE  23   9.194   3.739  -5.847
  523   1HG2  ILE  23          1HG2      ILE  23   7.839   1.667  -5.604
  524   2HG2  ILE  23          2HG2      ILE  23   8.904   1.121  -4.309
  525   3HG2  ILE  23          3HG2      ILE  23   8.613   0.085  -5.707
  526   1HD1  ILE  23          1HD1      ILE  23  11.408   2.964  -3.973
  527   2HD1  ILE  23          2HD1      ILE  23   9.694   2.826  -3.584
  528   3HD1  ILE  23          3HD1      ILE  23  10.399   4.410  -3.915
  529    H    GLU  24           H        GLU  24  11.716  -0.001  -8.131
  530    HA   GLU  24           HA       GLU  24  10.258  -2.391  -8.111
  531   1HB   GLU  24          1HB       GLU  24  11.155  -1.246 -10.136
  532   2HB   GLU  24          2HB       GLU  24  12.764  -1.790  -9.687
  533   1HG   GLU  24          1HG       GLU  24  11.929  -4.133  -9.823
  534   2HG   GLU  24          2HG       GLU  24  10.416  -3.494 -10.465
  535    H    ASN  25           H        ASN  25  13.684  -1.772  -7.387
  536    HA   ASN  25           HA       ASN  25  14.376  -4.474  -6.894
  537   1HB   ASN  25          1HB       ASN  25  15.959  -2.479  -7.287
  538   2HB   ASN  25          2HB       ASN  25  15.735  -2.125  -5.576
  539   1HD2  ASN  25          1HD2      ASN  25  17.841  -2.536  -4.991
  540   2HD2  ASN  25          2HD2      ASN  25  18.533  -4.127  -5.028
  541    H    VAL  26           H        VAL  26  13.068  -1.908  -4.909
  542    HA   VAL  26           HA       VAL  26  13.369  -3.140  -2.392
  543    HB   VAL  26           HB       VAL  26  11.250  -1.184  -3.321
  544   1HG1  VAL  26          1HG1      VAL  26  10.954  -0.670  -0.927
  545   2HG1  VAL  26          2HG1      VAL  26  12.038  -2.001  -0.524
  546   3HG1  VAL  26          3HG1      VAL  26  10.497  -2.328  -1.318
  547   1HG2  VAL  26          1HG2      VAL  26  12.646   0.511  -2.261
  548   2HG2  VAL  26          2HG2      VAL  26  13.534  -0.332  -3.528
  549   3HG2  VAL  26          3HG2      VAL  26  13.833  -0.720  -1.835
  550    H    LYS  27           H        LYS  27  10.747  -3.188  -4.779
  551    HA   LYS  27           HA       LYS  27   8.935  -4.789  -3.361
  552   1HB   LYS  27          1HB       LYS  27   9.410  -4.486  -6.330
  553   2HB   LYS  27          2HB       LYS  27   8.075  -5.410  -5.659
  554   1HG   LYS  27          1HG       LYS  27   7.280  -3.362  -4.527
  555   2HG   LYS  27          2HG       LYS  27   8.570  -2.462  -5.332
  556   1HD   LYS  27          2HD       LYS  27   7.670  -3.004  -7.493
  557   2HD   LYS  27          1HD       LYS  27   6.465  -4.070  -6.768
  558   1HE   LYS  27          2HE       LYS  27   5.506  -2.109  -5.596
  559   2HE   LYS  27          1HE       LYS  27   6.652  -1.076  -6.454
  560   1HZ   LYS  27          1HZ       LYS  27   4.550  -1.075  -7.586
  561   2HZ   LYS  27          2HZ       LYS  27   4.538  -2.760  -7.679
  562   3HZ   LYS  27          3HZ       LYS  27   5.690  -1.875  -8.555
  563    H    ALA  28           H        ALA  28  11.554  -5.637  -5.567
  564    HA   ALA  28           HA       ALA  28  11.138  -8.413  -5.624
  565   1HB   ALA  28          1HB       ALA  28  13.386  -8.565  -6.493
  566   2HB   ALA  28          2HB       ALA  28  13.755  -6.942  -5.906
  567   3HB   ALA  28          3HB       ALA  28  12.576  -7.165  -7.197
  568    H    LYS  29           H        LYS  29  12.973  -6.349  -3.429
  569    HA   LYS  29           HA       LYS  29  14.146  -8.489  -1.966
  570   1HB   LYS  29          1HB       LYS  29  13.829  -5.545  -1.505
  571   2HB   LYS  29          2HB       LYS  29  14.414  -6.581  -0.209
  572   1HG   LYS  29          1HG       LYS  29  16.303  -7.248  -1.484
  573   2HG   LYS  29          2HG       LYS  29  15.664  -6.491  -2.942
  574   1HD   LYS  29          2HD       LYS  29  15.927  -4.298  -1.957
  575   2HD   LYS  29          1HD       LYS  29  16.453  -5.016  -0.432
  576   1HE   LYS  29          2HE       LYS  29  17.890  -5.472  -3.036
  577   2HE   LYS  29          1HE       LYS  29  18.280  -4.136  -1.954
  578   1HZ   LYS  29          1HZ       LYS  29  18.324  -6.992  -1.142
  579   2HZ   LYS  29          2HZ       LYS  29  18.880  -5.668  -0.249
  580   3HZ   LYS  29          3HZ       LYS  29  19.690  -6.138  -1.657
  581    H    ILE  30           H        ILE  30  11.160  -6.654  -1.683
  582    HA   ILE  30           HA       ILE  30  10.395  -7.620   0.864
  583    HB   ILE  30           HB       ILE  30   8.739  -6.607  -1.459
  584   1HG1  ILE  30          1HG1      ILE  30   9.412  -5.334   1.204
  585   2HG1  ILE  30          2HG1      ILE  30  10.268  -5.006  -0.298
  586   1HG2  ILE  30          1HG2      ILE  30   7.786  -7.180   1.345
  587   2HG2  ILE  30          2HG2      ILE  30   7.402  -8.152  -0.074
  588   3HG2  ILE  30          3HG2      ILE  30   6.831  -6.485   0.036
  589   1HD1  ILE  30          1HD1      ILE  30   7.354  -4.461   0.215
  590   2HD1  ILE  30          2HD1      ILE  30   8.233  -4.097  -1.269
  591   3HD1  ILE  30          3HD1      ILE  30   8.649  -3.263   0.228
  592    H    GLN  31           H        GLN  31   9.870  -8.765  -2.428
  593    HA   GLN  31           HA       GLN  31   8.249 -10.994  -1.743
  594   1HB   GLN  31          1HB       GLN  31   8.318 -10.011  -4.012
  595   2HB   GLN  31          2HB       GLN  31   9.983 -10.555  -4.185
  596   1HG   GLN  31          1HG       GLN  31   9.237 -12.878  -3.991
  597   2HG   GLN  31          2HG       GLN  31   7.570 -12.320  -3.845
  598   1HE2  GLN  31          1HE2      GLN  31   6.952 -13.460  -5.681
  599   2HE2  GLN  31          2HE2      GLN  31   7.380 -12.931  -7.274
  600    H    ASP  32           H        ASP  32  11.636 -10.394  -1.670
  601    HA   ASP  32           HA       ASP  32  12.542 -13.077  -1.858
  602   1HB   ASP  32          1HB       ASP  32  13.778 -10.682  -1.972
  603   2HB   ASP  32          2HB       ASP  32  14.189 -11.158  -0.328
  604    H    LYS  33           H        LYS  33  11.475 -11.087   0.836
  605    HA   LYS  33           HA       LYS  33  12.136 -13.308   2.638
  606   1HB   LYS  33          1HB       LYS  33  11.907 -11.703   4.493
  607   2HB   LYS  33          2HB       LYS  33  13.146 -11.234   3.338
  608   1HG   LYS  33          1HG       LYS  33  11.770  -9.514   2.438
  609   2HG   LYS  33          2HG       LYS  33  10.357 -10.098   3.322
  610   1HD   LYS  33          2HD       LYS  33  11.222  -8.162   4.462
  611   2HD   LYS  33          1HD       LYS  33  11.555  -9.587   5.447
  612   1HE   LYS  33          2HE       LYS  33  13.848  -9.607   4.289
  613   2HE   LYS  33          1HE       LYS  33  13.457  -7.963   3.786
  614   1HZ   LYS  33          1HZ       LYS  33  14.767  -8.122   5.873
  615   2HZ   LYS  33          2HZ       LYS  33  13.442  -8.867   6.615
  616   3HZ   LYS  33          3HZ       LYS  33  13.309  -7.279   6.050
  617    H    GLU  34           H        GLU  34   9.478 -11.342   1.479
  618    HA   GLU  34           HA       GLU  34   7.624 -12.679   3.293
  619   1HB   GLU  34          1HB       GLU  34   7.425 -10.337   1.435
  620   2HB   GLU  34          2HB       GLU  34   5.960 -11.166   1.942
  621   1HG   GLU  34          1HG       GLU  34   7.997  -9.967   3.803
  622   2HG   GLU  34          2HG       GLU  34   6.481  -9.205   3.322
  623    H    GLY  35           H        GLY  35   7.856 -12.081  -0.209
  624   1HA   GLY  35          1HA       GLY  35   7.754 -14.022  -1.707
  625   2HA   GLY  35          2HA       GLY  35   6.542 -14.692  -0.622
  626    H    ILE  36           H        ILE  36   5.899 -11.515  -0.705
  627    HA   ILE  36           HA       ILE  36   3.558 -11.801  -2.285
  628    HB   ILE  36           HB       ILE  36   4.845  -9.244  -1.313
  629   1HG1  ILE  36          1HG1      ILE  36   2.640 -10.770   0.062
  630   2HG1  ILE  36          2HG1      ILE  36   4.337 -11.051   0.434
  631   1HG2  ILE  36          1HG2      ILE  36   2.546  -8.356  -1.423
  632   2HG2  ILE  36          2HG2      ILE  36   2.017  -9.874  -2.147
  633   3HG2  ILE  36          3HG2      ILE  36   3.166  -8.844  -3.001
  634   1HD1  ILE  36          1HD1      ILE  36   3.360  -9.543   2.036
  635   2HD1  ILE  36          2HD1      ILE  36   2.853  -8.455   0.745
  636   3HD1  ILE  36          3HD1      ILE  36   4.569  -8.697   1.073
  637    HA   PRO  37           HA       PRO  37   5.518 -11.136  -6.272
  638   1HB   PRO  37          1HB       PRO  37   2.710 -10.599  -7.068
  639   2HB   PRO  37          2HB       PRO  37   3.876 -11.736  -7.755
  640   1HG   PRO  37          1HG       PRO  37   1.845 -12.595  -6.253
  641   2HG   PRO  37          2HG       PRO  37   3.446 -13.352  -6.155
  642   1HD   PRO  37          1HD       PRO  37   2.136 -11.436  -4.277
  643   2HD   PRO  37          2HD       PRO  37   3.178 -12.831  -3.927
  644    HA   PRO  38           HA       PRO  38   5.935  -6.683  -6.115
  645   1HB   PRO  38          1HB       PRO  38   6.722  -7.076  -8.961
  646   2HB   PRO  38          2HB       PRO  38   7.573  -6.227  -7.667
  647   1HG   PRO  38          1HG       PRO  38   8.399  -8.616  -8.478
  648   2HG   PRO  38          2HG       PRO  38   8.415  -8.189  -6.756
  649   1HD   PRO  38          1HD       PRO  38   6.504  -9.926  -8.263
  650   2HD   PRO  38          2HD       PRO  38   7.154 -10.119  -6.623
  651    H    ASP  39           H        ASP  39   4.220  -8.369  -8.647
  652    HA   ASP  39           HA       ASP  39   3.001  -6.163  -9.899
  653   1HB   ASP  39          1HB       ASP  39   3.046  -8.269 -11.028
  654   2HB   ASP  39          2HB       ASP  39   2.226  -9.073  -9.695
  655    H    GLN  40           H        GLN  40   2.248  -7.904  -6.979
  656    HA   GLN  40           HA       GLN  40  -0.349  -6.551  -6.779
  657   1HB   GLN  40          1HB       GLN  40   0.839  -8.761  -5.089
  658   2HB   GLN  40          2HB       GLN  40  -0.780  -8.101  -4.911
  659   1HG   GLN  40          1HG       GLN  40  -1.484  -8.996  -6.973
  660   2HG   GLN  40          2HG       GLN  40   0.170  -9.349  -7.466
  661   1HE2  GLN  40          1HE2      GLN  40  -1.119  -9.991  -4.279
  662   2HE2  GLN  40          2HE2      GLN  40  -1.069 -11.716  -4.396
  663    H    GLN  41           H        GLN  41   2.703  -5.814  -6.103
  664    HA   GLN  41           HA       GLN  41   2.286  -4.825  -3.391
  665   1HB   GLN  41          1HB       GLN  41   4.706  -4.831  -5.196
  666   2HB   GLN  41          2HB       GLN  41   4.685  -4.096  -3.604
  667   1HG   GLN  41          1HG       GLN  41   4.078  -6.358  -2.686
  668   2HG   GLN  41          2HG       GLN  41   4.413  -7.005  -4.293
  669   1HE2  GLN  41          1HE2      GLN  41   6.162  -8.233  -3.636
  670   2HE2  GLN  41          2HE2      GLN  41   7.665  -7.516  -3.157
  671    H    ARG  42           H        ARG  42   1.075  -2.994  -3.386
  672    HA   ARG  42           HA       ARG  42   1.864  -0.863  -5.259
  673   1HB   ARG  42          1HB       ARG  42  -0.577  -1.712  -5.175
  674   2HB   ARG  42          2HB       ARG  42  -0.675  -0.863  -3.639
  675   1HG   ARG  42          1HG       ARG  42   0.197   1.171  -4.968
  676   2HG   ARG  42          2HG       ARG  42  -0.302   0.250  -6.388
  677   1HD   ARG  42          1HD       ARG  42  -2.151   1.599  -5.864
  678   2HD   ARG  42          2HD       ARG  42  -2.556   0.003  -5.235
  679    HE   ARG  42           HE       ARG  42  -1.324   1.820  -3.345
  680   1HH1  ARG  42          1HH1      ARG  42  -4.318   0.561  -4.667
  681   2HH1  ARG  42          2HH1      ARG  42  -5.243   0.945  -3.244
  682   1HH2  ARG  42          1HH2      ARG  42  -2.562   2.380  -1.504
  683   2HH2  ARG  42          2HH2      ARG  42  -4.247   1.984  -1.455
  684    H    LEU  43           H        LEU  43   3.647  -0.263  -4.013
  685    HA   LEU  43           HA       LEU  43   3.469   0.378  -1.246
  686   1HB   LEU  43          1HB       LEU  43   5.510   0.774  -3.394
  687   2HB   LEU  43          2HB       LEU  43   5.691   1.613  -1.866
  688    HG   LEU  43           HG       LEU  43   5.368  -1.376  -2.016
  689   1HD1  LEU  43          1HD1      LEU  43   7.925   0.223  -2.011
  690   2HD1  LEU  43          2HD1      LEU  43   7.323  -0.771  -3.337
  691   3HD1  LEU  43          3HD1      LEU  43   7.805  -1.527  -1.818
  692   1HD2  LEU  43          1HD2      LEU  43   6.466   0.495   0.078
  693   2HD2  LEU  43          2HD2      LEU  43   6.432  -1.264   0.195
  694   3HD2  LEU  43          3HD2      LEU  43   4.922  -0.355   0.144
  695    H    ILE  44           H        ILE  44   2.560   2.085  -0.381
  696    HA   ILE  44           HA       ILE  44   2.418   4.565  -1.970
  697    HB   ILE  44           HB       ILE  44   0.452   3.617   0.119
  698   1HG1  ILE  44          1HG1      ILE  44   0.303   2.326  -1.979
  699   2HG1  ILE  44          2HG1      ILE  44  -1.122   3.322  -1.716
  700   1HG2  ILE  44          1HG2      ILE  44  -0.905   5.540  -0.701
  701   2HG2  ILE  44          2HG2      ILE  44   0.504   6.075  -1.617
  702   3HG2  ILE  44          3HG2      ILE  44   0.574   5.997   0.143
  703   1HD1  ILE  44          1HD1      ILE  44   1.133   3.841  -3.625
  704   2HD1  ILE  44          2HD1      ILE  44  -0.148   5.000  -3.274
  705   3HD1  ILE  44          3HD1      ILE  44  -0.540   3.447  -4.014
  706    H    PHE  45           H        PHE  45   3.265   6.331  -1.108
  707    HA   PHE  45           HA       PHE  45   4.081   6.247   1.719
  708   1HB   PHE  45          1HB       PHE  45   5.906   6.442  -0.006
  709   2HB   PHE  45          2HB       PHE  45   5.216   7.985  -0.488
  710    HD1  PHE  45           HD1      PHE  45   5.581   6.686   2.970
  711    HD2  PHE  45           HD2      PHE  45   6.962   9.452   0.043
  712    HE1  PHE  45           HE1      PHE  45   6.947   7.807   4.678
  713    HE2  PHE  45           HE2      PHE  45   8.332  10.577   1.749
  714    HZ   PHE  45           HZ       PHE  45   8.326   9.755   4.071
  715    H    ALA  46           H        ALA  46   1.783   6.798   2.033
  716    HA   ALA  46           HA       ALA  46   0.116   8.225   2.594
  717   1HB   ALA  46          1HB       ALA  46   2.299  10.310   2.637
  718   2HB   ALA  46          2HB       ALA  46   1.909   9.216   3.964
  719   3HB   ALA  46          3HB       ALA  46   0.727  10.411   3.430
  720    H    GLY  47           H        GLY  47  -0.782   7.896   0.483
  721   1HA   GLY  47          1HA       GLY  47  -2.028   8.866  -1.219
  722   2HA   GLY  47          2HA       GLY  47  -1.219  10.393  -0.901
  723    H    LYS  48           H        LYS  48   1.379   9.830  -1.252
  724    HA   LYS  48           HA       LYS  48   1.629   9.809  -4.076
  725   1HB   LYS  48          1HB       LYS  48   3.792   9.565  -1.979
  726   2HB   LYS  48          2HB       LYS  48   4.027  10.014  -3.663
  727   1HG   LYS  48          1HG       LYS  48   2.906  12.082  -3.358
  728   2HG   LYS  48          2HG       LYS  48   2.325  11.605  -1.762
  729   1HD   LYS  48          2HD       LYS  48   5.259  11.786  -2.372
  730   2HD   LYS  48          1HD       LYS  48   4.331  13.207  -1.894
  731   1HE   LYS  48          2HE       LYS  48   4.556  10.654  -0.307
  732   2HE   LYS  48          1HE       LYS  48   5.461  12.129   0.010
  733   1HZ   LYS  48          1HZ       LYS  48   3.635  12.108   1.479
  734   2HZ   LYS  48          2HZ       LYS  48   2.534  11.718   0.256
  735   3HZ   LYS  48          3HZ       LYS  48   3.253  13.249   0.289
  736    H    GLN  49           H        GLN  49   1.698   8.122  -5.381
  737    HA   GLN  49           HA       GLN  49   2.138   5.454  -4.343
  738   1HB   GLN  49          1HB       GLN  49   0.377   6.040  -6.062
  739   2HB   GLN  49          2HB       GLN  49   1.682   6.300  -7.209
  740   1HG   GLN  49          1HG       GLN  49   2.351   3.990  -7.044
  741   2HG   GLN  49          2HG       GLN  49   1.154   3.701  -5.785
  742   1HE2  GLN  49          1HE2      GLN  49  -0.843   5.385  -7.144
  743   2HE2  GLN  49          2HE2      GLN  49  -1.424   4.444  -8.469
  744    H    LEU  50           H        LEU  50   4.026   4.392  -4.412
  745    HA   LEU  50           HA       LEU  50   6.342   5.740  -5.460
  746   1HB   LEU  50          1HB       LEU  50   6.152   2.975  -4.270
  747   2HB   LEU  50          2HB       LEU  50   7.612   3.918  -4.495
  748    HG   LEU  50           HG       LEU  50   5.379   4.426  -2.534
  749   1HD1  LEU  50          1HD1      LEU  50   7.320   2.751  -2.136
  750   2HD1  LEU  50          2HD1      LEU  50   6.900   3.906  -0.874
  751   3HD1  LEU  50          3HD1      LEU  50   8.294   4.204  -1.912
  752   1HD2  LEU  50          1HD2      LEU  50   7.671   6.195  -3.348
  753   2HD2  LEU  50          2HD2      LEU  50   6.817   6.367  -1.815
  754   3HD2  LEU  50          3HD2      LEU  50   5.949   6.579  -3.336
  755    H    GLU  51           H        GLU  51   6.723   5.714  -7.566
  756    HA   GLU  51           HA       GLU  51   5.836   3.615  -9.293
  757   1HB   GLU  51          1HB       GLU  51   5.966   5.906 -10.098
  758   2HB   GLU  51          2HB       GLU  51   7.694   5.952  -9.779
  759   1HG   GLU  51          1HG       GLU  51   8.178   4.504 -11.548
  760   2HG   GLU  51          2HG       GLU  51   6.502   3.969 -11.678
  761    H    ASP  52           H        ASP  52   6.905   1.909 -10.061
  762    HA   ASP  52           HA       ASP  52   9.024   0.747  -8.731
  763   1HB   ASP  52          1HB       ASP  52   8.316   0.255 -11.625
  764   2HB   ASP  52          2HB       ASP  52   9.116  -0.861 -10.526
  765    H    GLY  53           H        GLY  53   9.126   2.688 -11.694
  766   1HA   GLY  53          1HA       GLY  53  11.938   2.279 -12.096
  767   2HA   GLY  53          2HA       GLY  53  10.914   3.406 -12.968
  768    H    ARG  54           H        ARG  54  10.305   4.200  -9.895
  769    HA   ARG  54           HA       ARG  54  12.266   6.361  -9.986
  770   1HB   ARG  54          1HB       ARG  54   9.710   5.950  -8.455
  771   2HB   ARG  54          2HB       ARG  54  10.840   7.228  -8.026
  772   1HG   ARG  54          1HG       ARG  54   9.496   6.896 -10.703
  773   2HG   ARG  54          2HG       ARG  54   9.030   8.045  -9.448
  774   1HD   ARG  54          1HD       ARG  54  10.354   9.444 -10.622
  775   2HD   ARG  54          2HD       ARG  54  11.635   8.662  -9.696
  776    HE   ARG  54           HE       ARG  54  10.870   7.726 -12.386
  777   1HH1  ARG  54          1HH1      ARG  54  13.322   8.718 -10.076
  778   2HH1  ARG  54          2HH1      ARG  54  14.635   8.420 -11.175
  779   1HH2  ARG  54          1HH2      ARG  54  12.590   7.317 -13.803
  780   2HH2  ARG  54          2HH2      ARG  54  14.221   7.615 -13.288
  781    H    THR  55           H        THR  55  13.163   7.084  -7.854
  782    HA   THR  55           HA       THR  55  14.118   4.718  -6.386
  783    HB   THR  55           HB       THR  55  15.989   6.276  -5.660
  784    HG1  THR  55           HG1      THR  55  14.669   7.900  -7.588
  785   1HG2  THR  55          1HG2      THR  55  17.236   6.015  -7.735
  786   2HG2  THR  55          2HG2      THR  55  15.736   5.745  -8.624
  787   3HG2  THR  55          3HG2      THR  55  16.270   4.572  -7.418
  788    H    LEU  56           H        LEU  56  14.744   5.239  -4.059
  789    HA   LEU  56           HA       LEU  56  12.434   6.043  -2.660
  790   1HB   LEU  56          1HB       LEU  56  15.261   5.648  -1.692
  791   2HB   LEU  56          2HB       LEU  56  13.876   5.856  -0.639
  792    HG   LEU  56           HG       LEU  56  14.097   3.596  -2.623
  793   1HD1  LEU  56          1HD1      LEU  56  14.754   2.185  -0.736
  794   2HD1  LEU  56          2HD1      LEU  56  14.839   3.611   0.300
  795   3HD1  LEU  56          3HD1      LEU  56  15.954   3.439  -1.057
  796   1HD2  LEU  56          1HD2      LEU  56  11.839   4.033  -1.927
  797   2HD2  LEU  56          2HD2      LEU  56  12.329   4.098  -0.235
  798   3HD2  LEU  56          3HD2      LEU  56  12.407   2.573  -1.116
  799    H    SER  57           H        SER  57  15.382   7.750  -3.520
  800    HA   SER  57           HA       SER  57  14.929   9.986  -1.819
  801   1HB   SER  57          1HB       SER  57  16.579  11.005  -3.678
  802   2HB   SER  57          2HB       SER  57  17.136   9.937  -2.390
  803    HG   SER  57           HG       SER  57  16.635   9.352  -5.101
  804    H    ASP  58           H        ASP  58  13.592   9.041  -4.835
  805    HA   ASP  58           HA       ASP  58  13.016  11.617  -5.898
  806   1HB   ASP  58          1HB       ASP  58  11.865   8.877  -6.400
  807   2HB   ASP  58          2HB       ASP  58  11.185  10.307  -7.166
  808    H    TYR  59           H        TYR  59  11.485   9.565  -3.552
  809    HA   TYR  59           HA       TYR  59   9.216  11.428  -3.396
  810   1HB   TYR  59          1HB       TYR  59   9.481   8.602  -2.356
  811   2HB   TYR  59          2HB       TYR  59   8.063   9.625  -2.148
  812    HD1  TYR  59           HD1      TYR  59   9.903   7.472  -4.422
  813    HD2  TYR  59           HD2      TYR  59   6.704  10.258  -4.114
  814    HE1  TYR  59           HE1      TYR  59   9.031   6.702  -6.588
  815    HE2  TYR  59           HE2      TYR  59   5.826   9.498  -6.277
  816    HH   TYR  59           HH       TYR  59   6.868   8.374  -8.395
  817    H    ASN  60           H        ASN  60  12.066  11.424  -2.193
  818    HA   ASN  60           HA       ASN  60  13.106  12.077  -0.287
  819   1HB   ASN  60          1HB       ASN  60  11.533  13.991  -0.652
  820   2HB   ASN  60          2HB       ASN  60  10.408  13.220   0.457
  821   1HD2  ASN  60          1HD2      ASN  60  13.894  13.207   0.872
  822   2HD2  ASN  60          2HD2      ASN  60  13.910  14.207   2.280
  823    H    ILE  61           H        ILE  61  12.345   9.461  -0.202
  824    HA   ILE  61           HA       ILE  61  11.027   8.957   2.324
  825    HB   ILE  61           HB       ILE  61  12.379   7.020   0.432
  826   1HG1  ILE  61          1HG1      ILE  61   9.434   7.607   0.813
  827   2HG1  ILE  61          2HG1      ILE  61  10.409   8.259  -0.497
  828   1HG2  ILE  61          1HG2      ILE  61  12.247   6.179   2.727
  829   2HG2  ILE  61          2HG2      ILE  61  11.177   5.284   1.649
  830   3HG2  ILE  61          3HG2      ILE  61  10.513   6.496   2.744
  831   1HD1  ILE  61          1HD1      ILE  61   9.775   5.365   0.004
  832   2HD1  ILE  61          2HD1      ILE  61  10.852   5.957  -1.261
  833   3HD1  ILE  61          3HD1      ILE  61   9.140   6.384  -1.285
  834    H    GLN  62           H        GLN  62  12.067   9.100   4.160
  835    HA   GLN  62           HA       GLN  62  14.993   8.900   4.192
  836   1HB   GLN  62          1HB       GLN  62  13.106   9.958   6.303
  837   2HB   GLN  62          2HB       GLN  62  14.859  10.075   6.322
  838   1HG   GLN  62          1HG       GLN  62  14.907  11.721   4.729
  839   2HG   GLN  62          2HG       GLN  62  13.363  11.240   4.028
  840   1HE2  GLN  62          1HE2      GLN  62  13.962  11.725   7.448
  841   2HE2  GLN  62          2HE2      GLN  62  12.944  13.111   7.617
  842    H    LYS  63           H        LYS  63  15.677   8.158   6.607
  843    HA   LYS  63           HA       LYS  63  14.961   5.397   6.717
  844   1HB   LYS  63          1HB       LYS  63  16.499   5.248   8.577
  845   2HB   LYS  63          2HB       LYS  63  17.219   6.228   7.310
  846   1HG   LYS  63          1HG       LYS  63  16.553   8.256   8.560
  847   2HG   LYS  63          2HG       LYS  63  15.958   7.218   9.857
  848   1HD   LYS  63          2HD       LYS  63  18.174   6.305  10.191
  849   2HD   LYS  63          1HD       LYS  63  18.794   7.238   8.829
  850   1HE   LYS  63          2HE       LYS  63  19.427   8.426  10.762
  851   2HE   LYS  63          1HE       LYS  63  18.059   9.307  10.083
  852   1HZ   LYS  63          1HZ       LYS  63  18.257   7.814  12.570
  853   2HZ   LYS  63          2HZ       LYS  63  16.783   7.689  11.744
  854   3HZ   LYS  63          3HZ       LYS  63  17.371   9.209  12.209
  855    H    GLU  64           H        GLU  64  13.976   4.306   8.495
  856    HA   GLU  64           HA       GLU  64  12.387   3.944  10.060
  857   1HB   GLU  64          1HB       GLU  64  13.135   6.756  10.801
  858   2HB   GLU  64          2HB       GLU  64  11.822   5.927  11.622
  859   1HG   GLU  64          1HG       GLU  64  13.462   5.316  13.030
  860   2HG   GLU  64          2HG       GLU  64  13.735   4.059  11.825
  861    H    SER  65           H        SER  65  11.826   5.474   7.362
  862    HA   SER  65           HA       SER  65   9.281   6.698   7.920
  863   1HB   SER  65          1HB       SER  65  10.537   5.928   5.274
  864   2HB   SER  65          2HB       SER  65   9.085   6.908   5.467
  865    HG   SER  65           HG       SER  65  11.761   7.539   6.021
  866    H    THR  66           H        THR  66   7.316   5.762   7.858
  867    HA   THR  66           HA       THR  66   7.243   2.877   7.452
  868    HB   THR  66           HB       THR  66   5.030   4.654   8.482
  869    HG1  THR  66           HG1      THR  66   7.295   4.341   9.636
  870   1HG2  THR  66          1HG2      THR  66   4.179   2.577   9.462
  871   2HG2  THR  66          2HG2      THR  66   5.532   1.686   8.762
  872   3HG2  THR  66          3HG2      THR  66   4.327   2.429   7.710
  873    H    LEU  67           H        LEU  67   7.068   2.393   5.366
  874    HA   LEU  67           HA       LEU  67   5.371   3.899   3.562
  875   1HB   LEU  67          1HB       LEU  67   6.831   1.294   3.083
  876   2HB   LEU  67          2HB       LEU  67   6.150   2.348   1.859
  877    HG   LEU  67           HG       LEU  67   8.459   3.074   3.663
  878   1HD1  LEU  67          1HD1      LEU  67   9.850   2.818   1.671
  879   2HD1  LEU  67          2HD1      LEU  67   8.451   2.239   0.767
  880   3HD1  LEU  67          3HD1      LEU  67   9.079   1.298   2.121
  881   1HD2  LEU  67          1HD2      LEU  67   7.241   5.032   2.975
  882   2HD2  LEU  67          2HD2      LEU  67   7.220   4.478   1.302
  883   3HD2  LEU  67          3HD2      LEU  67   8.745   4.939   2.057
  884    H    HIS  68           H        HIS  68   3.560   2.956   2.437
  885    HA   HIS  68           HA       HIS  68   2.240   0.887   4.057
  886   1HB   HIS  68          1HB       HIS  68   1.105   3.052   2.289
  887   2HB   HIS  68          2HB       HIS  68   0.132   1.735   2.929
  888    HD1  HIS  68           HD1      HIS  68  -0.701   1.954   5.301
  889    HD2  HIS  68           HD2      HIS  68   2.102   4.853   4.288
  890    HE1  HIS  68           HE1      HIS  68  -0.711   3.601   7.201
  891    HE2  HIS  68           HE2      HIS  68   0.912   5.400   6.517
  892    H    LEU  69           H        LEU  69   2.622  -1.039   3.202
  893    HA   LEU  69           HA       LEU  69   2.769  -1.391   0.320
  894   1HB   LEU  69          1HB       LEU  69   4.352  -2.577   1.793
  895   2HB   LEU  69          2HB       LEU  69   3.014  -3.401   2.567
  896    HG   LEU  69           HG       LEU  69   2.476  -4.498   0.409
  897   1HD1  LEU  69          1HD1      LEU  69   3.373  -2.889  -1.138
  898   2HD1  LEU  69          2HD1      LEU  69   4.180  -4.438  -1.378
  899   3HD1  LEU  69          3HD1      LEU  69   5.002  -3.140  -0.512
  900   1HD2  LEU  69          1HD2      LEU  69   3.851  -5.627   2.069
  901   2HD2  LEU  69          2HD2      LEU  69   5.302  -4.893   1.383
  902   3HD2  LEU  69          3HD2      LEU  69   4.363  -6.046   0.431
  903    H    VAL  70           H        VAL  70   0.700  -0.962  -0.347
  904    HA   VAL  70           HA       VAL  70  -1.516  -2.437   0.813
  905    HB   VAL  70           HB       VAL  70  -1.554  -0.528  -1.527
  906   1HG1  VAL  70          1HG1      VAL  70  -3.897  -0.396  -1.206
  907   2HG1  VAL  70          2HG1      VAL  70  -3.810  -1.293   0.308
  908   3HG1  VAL  70          3HG1      VAL  70  -3.488  -2.112  -1.221
  909   1HG2  VAL  70          1HG2      VAL  70  -1.952   0.022   1.414
  910   2HG2  VAL  70          2HG2      VAL  70  -2.351   1.152   0.119
  911   3HG2  VAL  70          3HG2      VAL  70  -0.678   0.657   0.374
  912    H    LEU  71           H        LEU  71  -1.707  -4.479   0.200
  913    HA   LEU  71           HA       LEU  71  -0.812  -5.417  -2.360
  914   1HB   LEU  71          1HB       LEU  71  -1.984  -6.629   0.082
  915   2HB   LEU  71          2HB       LEU  71  -2.250  -7.487  -1.422
  916    HG   LEU  71           HG       LEU  71   0.199  -7.566  -1.784
  917   1HD1  LEU  71          1HD1      LEU  71   1.736  -6.919  -0.084
  918   2HD1  LEU  71          2HD1      LEU  71   0.430  -6.544   1.039
  919   3HD1  LEU  71          3HD1      LEU  71   0.682  -5.537  -0.387
  920   1HD2  LEU  71          1HD2      LEU  71  -0.901  -9.459  -0.787
  921   2HD2  LEU  71          2HD2      LEU  71  -0.828  -8.706   0.805
  922   3HD2  LEU  71          3HD2      LEU  71   0.657  -9.213   0.003
  923    H    ARG  72           H        ARG  72  -1.946  -4.626  -4.037
  924    HA   ARG  72           HA       ARG  72  -4.829  -4.414  -3.890
  925   1HB   ARG  72          1HB       ARG  72  -3.655  -2.638  -5.039
  926   2HB   ARG  72          2HB       ARG  72  -2.891  -3.791  -6.125
  927   1HG   ARG  72          1HG       ARG  72  -5.034  -4.324  -7.123
  928   2HG   ARG  72          2HG       ARG  72  -5.855  -3.256  -5.983
  929   1HD   ARG  72          1HD       ARG  72  -5.563  -2.195  -8.172
  930   2HD   ARG  72          2HD       ARG  72  -4.689  -1.339  -6.905
  931    HE   ARG  72           HE       ARG  72  -3.263  -3.268  -8.596
  932   1HH1  ARG  72          1HH1      ARG  72  -3.794   0.035  -7.539
  933   2HH1  ARG  72          2HH1      ARG  72  -2.364   0.637  -8.325
  934   1HH2  ARG  72          1HH2      ARG  72  -1.373  -2.471  -9.593
  935   2HH2  ARG  72          2HH2      ARG  72  -0.966  -0.791  -9.452
  936    H    LEU  73           H        LEU  73  -5.654  -6.448  -3.792
  937    HA   LEU  73           HA       LEU  73  -4.944  -8.302  -5.940
  938   1HB   LEU  73          1HB       LEU  73  -6.186  -8.609  -3.250
  939   2HB   LEU  73          2HB       LEU  73  -6.605  -9.774  -4.490
  940    HG   LEU  73           HG       LEU  73  -4.049 -10.060  -4.783
  941   1HD1  LEU  73          1HD1      LEU  73  -3.319  -8.173  -3.481
  942   2HD1  LEU  73          2HD1      LEU  73  -2.786  -9.664  -2.702
  943   3HD1  LEU  73          3HD1      LEU  73  -4.170  -8.780  -2.059
  944   1HD2  LEU  73          1HD2      LEU  73  -5.554 -11.759  -3.874
  945   2HD2  LEU  73          2HD2      LEU  73  -5.408 -11.028  -2.276
  946   3HD2  LEU  73          3HD2      LEU  73  -3.997 -11.753  -3.048
  947    H    ARG  74           H        ARG  74  -6.576  -9.283  -7.211
  948    HA   ARG  74           HA       ARG  74  -8.677  -7.440  -7.908
  949   1HB   ARG  74          1HB       ARG  74  -7.174  -8.911  -9.460
  950   2HB   ARG  74          2HB       ARG  74  -8.352 -10.169  -9.113
  951   1HG   ARG  74          1HG       ARG  74  -9.911  -9.239 -10.421
  952   2HG   ARG  74          2HG       ARG  74  -9.490  -7.594  -9.941
  953   1HD   ARG  74          1HD       ARG  74  -7.595  -7.601 -11.425
  954   2HD   ARG  74          2HD       ARG  74  -7.857  -9.296 -11.817
  955    HE   ARG  74           HE       ARG  74 -10.152  -8.314 -12.635
  956   1HH1  ARG  74          1HH1      ARG  74  -6.953  -6.968 -13.033
  957   2HH1  ARG  74          2HH1      ARG  74  -7.330  -6.169 -14.523
  958   1HH2  ARG  74          1HH2      ARG  74 -10.652  -7.276 -14.609
  959   2HH2  ARG  74          2HH2      ARG  74  -9.437  -6.347 -15.427
  960    H    GLY  75           H        GLY  75 -10.014  -7.511  -6.066
  961   1HA   GLY  75          1HA       GLY  75 -11.866  -9.773  -6.094
  962   2HA   GLY  75          2HA       GLY  75 -11.068  -9.405  -4.571
  963    H    GLY  76           H        GLY  76 -13.883  -9.333  -5.063
  964   1HA   GLY  76          1HA       GLY  76 -15.100  -7.596  -3.687
  965   2HA   GLY  76          2HA       GLY  76 -14.422  -6.445  -4.830
  Start of MODEL    3
    1    H    GLY  63           H        GLY  63 -24.082  10.690  -5.537
    2   1HA   GLY  63          1HA       GLY  63 -21.980  10.971  -3.472
    3   2HA   GLY  63          2HA       GLY  63 -23.699  11.253  -3.235
    4    H    SER  64           H        SER  64 -22.178   9.419  -1.737
    5    HA   SER  64           HA       SER  64 -23.739   7.043  -2.180
    6   1HB   SER  64          1HB       SER  64 -21.962   6.461  -3.673
    7   2HB   SER  64          2HB       SER  64 -20.736   7.019  -2.540
    8    HG   SER  64           HG       SER  64 -21.729   4.582  -2.787
    9    H    GLN  65           H        GLN  65 -23.595   5.554  -0.383
   10    HA   GLN  65           HA       GLN  65 -23.270   6.907   2.110
   11   1HB   GLN  65          1HB       GLN  65 -24.063   4.138   1.287
   12   2HB   GLN  65          2HB       GLN  65 -23.701   4.481   2.974
   13   1HG   GLN  65          1HG       GLN  65 -25.541   5.800   3.248
   14   2HG   GLN  65          2HG       GLN  65 -25.591   6.272   1.551
   15   1HE2  GLN  65          1HE2      GLN  65 -26.348   3.744   3.839
   16   2HE2  GLN  65          2HE2      GLN  65 -27.494   2.922   2.839
   17    H    TRP  66           H        TRP  66 -21.112   5.386   0.069
   18    HA   TRP  66           HA       TRP  66 -19.225   4.925   2.291
   19   1HB   TRP  66          1HB       TRP  66 -19.183   3.558  -0.406
   20   2HB   TRP  66          2HB       TRP  66 -18.161   3.195   0.979
   21    HD1  TRP  66           HD1      TRP  66 -19.677   2.304   3.242
   22    HE1  TRP  66           HE1      TRP  66 -21.602   0.588   3.228
   23    HE3  TRP  66           HE3      TRP  66 -20.971   2.579  -1.696
   24    HZ2  TRP  66           HZ2      TRP  66 -23.425  -0.489   1.369
   25    HZ3  TRP  66           HZ3      TRP  66 -22.814   1.171  -2.507
   26    HH2  TRP  66           HH2      TRP  66 -24.014  -0.330  -1.007
   27    H    GLN  67           H        GLN  67 -19.945   7.212   0.273
   28    HA   GLN  67           HA       GLN  67 -17.636   7.601  -1.313
   29   1HB   GLN  67          1HB       GLN  67 -19.940   8.686  -1.588
   30   2HB   GLN  67          2HB       GLN  67 -19.414   9.834  -0.369
   31   1HG   GLN  67          1HG       GLN  67 -18.852  10.964  -2.254
   32   2HG   GLN  67          2HG       GLN  67 -17.348  10.100  -1.951
   33   1HE2  GLN  67          1HE2      GLN  67 -18.329   7.533  -2.861
   34   2HE2  GLN  67          2HE2      GLN  67 -18.461   7.638  -4.580
   35    HA   PRO  68           HA       PRO  68 -16.140  10.644   2.188
   36   1HB   PRO  68          1HB       PRO  68 -17.386   9.426   4.578
   37   2HB   PRO  68          2HB       PRO  68 -17.180  11.132   4.167
   38   1HG   PRO  68          1HG       PRO  68 -19.579   9.967   4.060
   39   2HG   PRO  68          2HG       PRO  68 -19.093  11.180   2.860
   40   1HD   PRO  68          1HD       PRO  68 -19.174   8.196   2.618
   41   2HD   PRO  68          2HD       PRO  68 -19.659   9.434   1.442
   42    H    GLN  69           H        GLN  69 -16.895   7.280   2.811
   43    HA   GLN  69           HA       GLN  69 -14.660   6.620   4.384
   44   1HB   GLN  69          1HB       GLN  69 -16.502   5.017   2.624
   45   2HB   GLN  69          2HB       GLN  69 -15.131   4.260   3.421
   46   1HG   GLN  69          1HG       GLN  69 -17.092   3.906   4.743
   47   2HG   GLN  69          2HG       GLN  69 -16.024   5.015   5.598
   48   1HE2  GLN  69          1HE2      GLN  69 -17.665   5.878   6.835
   49   2HE2  GLN  69          2HE2      GLN  69 -18.875   6.922   6.176
   50    H    LEU  70           H        LEU  70 -15.172   6.831   0.924
   51    HA   LEU  70           HA       LEU  70 -12.745   5.608   0.113
   52   1HB   LEU  70          1HB       LEU  70 -14.418   7.689  -1.309
   53   2HB   LEU  70          2HB       LEU  70 -13.154   6.726  -2.048
   54    HG   LEU  70           HG       LEU  70 -15.721   5.634  -0.896
   55   1HD1  LEU  70          1HD1      LEU  70 -14.865   5.947  -3.766
   56   2HD1  LEU  70          2HD1      LEU  70 -16.039   6.969  -2.938
   57   3HD1  LEU  70          3HD1      LEU  70 -16.381   5.257  -3.189
   58   1HD2  LEU  70          1HD2      LEU  70 -13.926   4.034  -0.719
   59   2HD2  LEU  70          2HD2      LEU  70 -13.473   4.310  -2.401
   60   3HD2  LEU  70          3HD2      LEU  70 -15.020   3.556  -2.016
   61    H    GLN  71           H        GLN  71 -13.709   8.933   0.792
   62    HA   GLN  71           HA       GLN  71 -11.240  10.140   0.091
   63   1HB   GLN  71          1HB       GLN  71 -13.318  11.136   2.055
   64   2HB   GLN  71          2HB       GLN  71 -12.082  12.106   1.263
   65   1HG   GLN  71          1HG       GLN  71 -14.388  10.707  -0.072
   66   2HG   GLN  71          2HG       GLN  71 -14.229  12.440   0.208
   67   1HE2  GLN  71          1HE2      GLN  71 -12.942  13.649  -1.125
   68   2HE2  GLN  71          2HE2      GLN  71 -12.225  13.024  -2.571
   69    H    GLN  72           H        GLN  72 -12.549   8.740   3.004
   70    HA   GLN  72           HA       GLN  72 -10.537   9.547   4.807
   71   1HB   GLN  72          1HB       GLN  72 -12.837   7.788   4.802
   72   2HB   GLN  72          2HB       GLN  72 -11.495   7.053   5.667
   73   1HG   GLN  72          1HG       GLN  72 -12.376   9.861   6.230
   74   2HG   GLN  72          2HG       GLN  72 -13.151   8.470   6.991
   75   1HE2  GLN  72          1HE2      GLN  72 -10.248  10.361   6.755
   76   2HE2  GLN  72          2HE2      GLN  72  -9.459   9.694   8.143
   77    H    LEU  73           H        LEU  73 -10.916   6.725   2.726
   78    HA   LEU  73           HA       LEU  73  -8.535   5.426   3.632
   79   1HB   LEU  73          1HB       LEU  73 -10.351   5.040   1.267
   80   2HB   LEU  73          2HB       LEU  73  -8.884   4.103   1.459
   81    HG   LEU  73           HG       LEU  73 -11.130   4.162   3.472
   82   1HD1  LEU  73          1HD1      LEU  73 -10.464   2.125   1.351
   83   2HD1  LEU  73          2HD1      LEU  73 -11.898   3.153   1.411
   84   3HD1  LEU  73          3HD1      LEU  73 -11.650   1.910   2.639
   85   1HD2  LEU  73          1HD2      LEU  73  -9.957   2.079   4.263
   86   2HD2  LEU  73          2HD2      LEU  73  -9.104   3.593   4.561
   87   3HD2  LEU  73          3HD2      LEU  73  -8.604   2.545   3.233
   88    H    ARG  74           H        ARG  74  -9.327   7.733   1.152
   89    HA   ARG  74           HA       ARG  74  -6.984   7.462  -0.401
   90   1HB   ARG  74          1HB       ARG  74  -9.152   9.483  -0.162
   91   2HB   ARG  74          2HB       ARG  74  -7.664   9.970  -0.966
   92   1HG   ARG  74          1HG       ARG  74  -7.893   8.198  -2.575
   93   2HG   ARG  74          2HG       ARG  74  -9.299   7.560  -1.723
   94   1HD   ARG  74          1HD       ARG  74 -10.630   9.404  -2.324
   95   2HD   ARG  74          2HD       ARG  74  -9.230  10.359  -2.808
   96    HE   ARG  74           HE       ARG  74  -9.000   8.553  -4.613
   97   1HH1  ARG  74          1HH1      ARG  74 -12.065   9.692  -3.336
   98   2HH1  ARG  74          2HH1      ARG  74 -12.936   9.356  -4.799
   99   1HH2  ARG  74          1HH2      ARG  74 -10.154   8.135  -6.539
  100   2HH2  ARG  74          2HH2      ARG  74 -11.848   8.496  -6.622
  101    H    ASP  75           H        ASP  75  -7.378   8.654   2.713
  102    HA   ASP  75           HA       ASP  75  -5.595  10.814   2.813
  103   1HB   ASP  75          1HB       ASP  75  -7.018  10.333   4.701
  104   2HB   ASP  75          2HB       ASP  75  -6.295   8.741   4.902
  105    H    MET  76           H        MET  76  -5.035   7.336   3.214
  106    HA   MET  76           HA       MET  76  -2.207   7.671   3.578
  107   1HB   MET  76          1HB       MET  76  -2.089   5.253   3.594
  108   2HB   MET  76          2HB       MET  76  -3.447   5.770   4.578
  109   1HG   MET  76          1HG       MET  76  -4.893   4.623   3.344
  110   2HG   MET  76          2HG       MET  76  -4.246   5.284   1.844
  111   1HE   MET  76          1HE       MET  76  -2.410   4.185   0.392
  112   2HE   MET  76          2HE       MET  76  -1.422   2.815   0.906
  113   3HE   MET  76          3HE       MET  76  -1.276   4.366   1.732
  114    H    GLY  77           H        GLY  77  -4.345   7.342   0.908
  115   1HA   GLY  77          1HA       GLY  77  -3.495   8.046  -1.258
  116   2HA   GLY  77          2HA       GLY  77  -2.008   7.192  -0.879
  117    H    ILE  78           H        ILE  78  -5.325   6.866  -1.904
  118    HA   ILE  78           HA       ILE  78  -4.680   4.132  -2.770
  119    HB   ILE  78           HB       ILE  78  -7.344   5.061  -1.679
  120   1HG1  ILE  78          1HG1      ILE  78  -5.162   3.275  -0.633
  121   2HG1  ILE  78          2HG1      ILE  78  -5.978   4.609   0.174
  122   1HG2  ILE  78          1HG2      ILE  78  -8.041   2.704  -2.024
  123   2HG2  ILE  78          2HG2      ILE  78  -6.541   2.434  -2.912
  124   3HG2  ILE  78          3HG2      ILE  78  -7.734   3.578  -3.526
  125   1HD1  ILE  78          1HD1      ILE  78  -6.895   1.800  -0.244
  126   2HD1  ILE  78          2HD1      ILE  78  -8.065   3.089   0.027
  127   3HD1  ILE  78          3HD1      ILE  78  -6.829   2.752   1.240
  128    H    GLN  79           H        GLN  79  -4.385   4.343  -4.866
  129    HA   GLN  79           HA       GLN  79  -6.005   6.157  -6.450
  130   1HB   GLN  79          1HB       GLN  79  -3.419   5.531  -6.649
  131   2HB   GLN  79          2HB       GLN  79  -4.059   4.272  -7.697
  132   1HG   GLN  79          1HG       GLN  79  -5.205   6.036  -9.016
  133   2HG   GLN  79          2HG       GLN  79  -4.395   7.245  -8.020
  134   1HE2  GLN  79          1HE2      GLN  79  -2.122   7.437  -8.162
  135   2HE2  GLN  79          2HE2      GLN  79  -1.266   6.887  -9.561
  136    H    ASP  80           H        ASP  80  -6.858   3.504  -5.149
  137    HA   ASP  80           HA       ASP  80  -8.191   2.426  -7.528
  138   1HB   ASP  80          1HB       ASP  80  -6.994   0.871  -5.225
  139   2HB   ASP  80          2HB       ASP  80  -8.124   0.172  -6.377
  140    H    ASP  81           H        ASP  81  -9.674   4.186  -6.585
  141    HA   ASP  81           HA       ASP  81 -11.057   3.686  -4.169
  142   1HB   ASP  81          1HB       ASP  81 -12.577   5.414  -4.815
  143   2HB   ASP  81          2HB       ASP  81 -10.976   5.902  -5.359
  144    H    GLU  82           H        GLU  82 -11.370   2.423  -7.362
  145    HA   GLU  82           HA       GLU  82 -14.026   1.523  -7.300
  146   1HB   GLU  82          1HB       GLU  82 -12.582   1.550  -9.321
  147   2HB   GLU  82          2HB       GLU  82 -11.648   0.224  -8.647
  148   1HG   GLU  82          1HG       GLU  82 -14.265  -0.677  -8.563
  149   2HG   GLU  82          2HG       GLU  82 -14.145   0.183 -10.097
  150    H    LEU  83           H        LEU  83 -11.004  -0.127  -6.414
  151    HA   LEU  83           HA       LEU  83 -12.198  -2.518  -5.514
  152   1HB   LEU  83          1HB       LEU  83  -9.599  -1.529  -5.821
  153   2HB   LEU  83          2HB       LEU  83  -9.749  -1.852  -4.106
  154    HG   LEU  83           HG       LEU  83  -8.786  -3.764  -5.235
  155   1HD1  LEU  83          1HD1      LEU  83 -10.233  -5.490  -4.430
  156   2HD1  LEU  83          2HD1      LEU  83 -11.625  -4.409  -4.468
  157   3HD1  LEU  83          3HD1      LEU  83 -10.318  -4.126  -3.317
  158   1HD2  LEU  83          1HD2      LEU  83 -10.048  -5.034  -6.909
  159   2HD2  LEU  83          2HD2      LEU  83  -9.678  -3.402  -7.462
  160   3HD2  LEU  83          3HD2      LEU  83 -11.301  -3.794  -6.898
  161    H    SER  84           H        SER  84 -11.326   0.485  -3.909
  162    HA   SER  84           HA       SER  84 -11.818  -0.316  -1.267
  163   1HB   SER  84          1HB       SER  84 -12.179   2.472  -2.378
  164   2HB   SER  84          2HB       SER  84 -11.773   2.022  -0.721
  165    HG   SER  84           HG       SER  84 -10.166   1.784  -3.045
  166    H    LEU  85           H        LEU  85 -13.936   1.204  -3.686
  167    HA   LEU  85           HA       LEU  85 -16.196   1.478  -2.039
  168   1HB   LEU  85          1HB       LEU  85 -15.730   2.456  -4.373
  169   2HB   LEU  85          2HB       LEU  85 -16.315   0.927  -4.995
  170    HG   LEU  85           HG       LEU  85 -17.941   2.922  -4.883
  171   1HD1  LEU  85          1HD1      LEU  85 -19.836   1.445  -4.363
  172   2HD1  LEU  85          2HD1      LEU  85 -18.709   0.244  -3.735
  173   3HD1  LEU  85          3HD1      LEU  85 -18.667   0.685  -5.442
  174   1HD2  LEU  85          1HD2      LEU  85 -18.224   2.011  -2.030
  175   2HD2  LEU  85          2HD2      LEU  85 -19.070   3.331  -2.835
  176   3HD2  LEU  85          3HD2      LEU  85 -17.343   3.461  -2.503
  177    H    ARG  86           H        ARG  86 -15.142  -1.145  -4.160
  178    HA   ARG  86           HA       ARG  86 -17.389  -2.801  -3.851
  179   1HB   ARG  86          1HB       ARG  86 -14.507  -3.462  -4.460
  180   2HB   ARG  86          2HB       ARG  86 -15.812  -4.639  -4.528
  181   1HG   ARG  86          1HG       ARG  86 -16.845  -3.543  -6.338
  182   2HG   ARG  86          2HG       ARG  86 -15.854  -2.098  -6.125
  183   1HD   ARG  86          1HD       ARG  86 -15.041  -3.333  -8.018
  184   2HD   ARG  86          2HD       ARG  86 -13.859  -3.435  -6.717
  185    HE   ARG  86           HE       ARG  86 -15.455  -5.660  -6.435
  186   1HH1  ARG  86          1HH1      ARG  86 -13.423  -4.320  -8.970
  187   2HH1  ARG  86          2HH1      ARG  86 -13.000  -5.879  -9.610
  188   1HH2  ARG  86          1HH2      ARG  86 -14.889  -7.698  -7.290
  189   2HH2  ARG  86          2HH2      ARG  86 -13.824  -7.790  -8.661
  190    H    ALA  87           H        ALA  87 -14.365  -2.588  -2.027
  191    HA   ALA  87           HA       ALA  87 -14.908  -4.743  -0.273
  192   1HB   ALA  87          1HB       ALA  87 -13.133  -2.343   0.166
  193   2HB   ALA  87          2HB       ALA  87 -12.655  -3.851  -0.615
  194   3HB   ALA  87          3HB       ALA  87 -13.099  -3.842   1.093
  195    H    LEU  88           H        LEU  88 -15.531  -1.266  -0.103
  196    HA   LEU  88           HA       LEU  88 -16.519  -1.195   2.539
  197   1HB   LEU  88          1HB       LEU  88 -16.474   0.582   0.213
  198   2HB   LEU  88          2HB       LEU  88 -17.913   0.779   1.190
  199    HG   LEU  88           HG       LEU  88 -16.216   2.381   1.852
  200   1HD1  LEU  88          1HD1      LEU  88 -16.501   0.246   3.957
  201   2HD1  LEU  88          2HD1      LEU  88 -17.726   1.450   3.562
  202   3HD1  LEU  88          3HD1      LEU  88 -16.172   1.958   4.221
  203   1HD2  LEU  88          1HD2      LEU  88 -14.482  -0.009   2.467
  204   2HD2  LEU  88          2HD2      LEU  88 -14.094   1.672   2.826
  205   3HD2  LEU  88          3HD2      LEU  88 -14.236   1.139   1.152
  206    H    GLN  89           H        GLN  89 -18.092  -1.638  -0.586
  207    HA   GLN  89           HA       GLN  89 -20.740  -1.816   0.379
  208   1HB   GLN  89          1HB       GLN  89 -20.229  -1.366  -1.966
  209   2HB   GLN  89          2HB       GLN  89 -19.479  -2.948  -2.123
  210   1HG   GLN  89          1HG       GLN  89 -21.701  -3.956  -1.576
  211   2HG   GLN  89          2HG       GLN  89 -22.388  -2.335  -1.684
  212   1HE2  GLN  89          1HE2      GLN  89 -20.935  -4.961  -3.442
  213   2HE2  GLN  89          2HE2      GLN  89 -21.357  -4.401  -5.026
  214    H    ALA  90           H        ALA  90 -18.207  -4.203  -0.173
  215    HA   ALA  90           HA       ALA  90 -19.790  -6.507   0.258
  216   1HB   ALA  90          1HB       ALA  90 -16.820  -6.167   0.646
  217   2HB   ALA  90          2HB       ALA  90 -17.616  -6.563  -0.877
  218   3HB   ALA  90          3HB       ALA  90 -17.681  -7.696   0.473
  219    H    THR  91           H        THR  91 -18.063  -4.366   2.439
  220    HA   THR  91           HA       THR  91 -18.538  -6.140   4.697
  221    HB   THR  91           HB       THR  91 -17.422  -4.259   5.998
  222    HG1  THR  91           HG1      THR  91 -16.569  -3.346   3.449
  223   1HG2  THR  91          1HG2      THR  91 -16.220  -6.275   5.284
  224   2HG2  THR  91          2HG2      THR  91 -15.181  -4.851   5.208
  225   3HG2  THR  91          3HG2      THR  91 -15.874  -5.517   3.729
  226    H    GLY  92           H        GLY  92 -20.160  -3.701   3.070
  227   1HA   GLY  92          1HA       GLY  92 -22.364  -3.036   3.590
  228   2HA   GLY  92          2HA       GLY  92 -22.068  -3.455   5.275
  229    H    GLY  93           H        GLY  93 -19.521  -2.055   5.382
  230   1HA   GLY  93          1HA       GLY  93 -19.272   0.492   4.685
  231   2HA   GLY  93          2HA       GLY  93 -20.602   0.612   5.827
  232    H    ASP  94           H        ASP  94 -17.354  -0.855   5.605
  233    HA   ASP  94           HA       ASP  94 -16.692   0.383   8.158
  234   1HB   ASP  94          1HB       ASP  94 -17.557  -1.909   8.679
  235   2HB   ASP  94          2HB       ASP  94 -16.254  -2.577   7.698
  236    H    ILE  95           H        ILE  95 -14.541   0.874   8.368
  237    HA   ILE  95           HA       ILE  95 -13.006   0.847   5.927
  238    HB   ILE  95           HB       ILE  95 -12.409   1.965   8.668
  239   1HG1  ILE  95          1HG1      ILE  95 -14.206   3.104   7.440
  240   2HG1  ILE  95          2HG1      ILE  95 -12.788   4.135   7.588
  241   1HG2  ILE  95          1HG2      ILE  95 -10.813   2.352   6.141
  242   2HG2  ILE  95          2HG2      ILE  95 -10.337   1.323   7.491
  243   3HG2  ILE  95          3HG2      ILE  95 -10.480   3.066   7.721
  244   1HD1  ILE  95          1HD1      ILE  95 -13.684   4.373   5.397
  245   2HD1  ILE  95          2HD1      ILE  95 -13.698   2.628   5.152
  246   3HD1  ILE  95          3HD1      ILE  95 -12.164   3.491   5.272
  247    H    GLN  96           H        GLN  96 -12.459  -0.377   9.232
  248    HA   GLN  96           HA       GLN  96  -9.993  -1.598   8.726
  249   1HB   GLN  96          1HB       GLN  96 -12.091  -1.938  10.826
  250   2HB   GLN  96          2HB       GLN  96 -10.755  -3.079  10.751
  251   1HG   GLN  96          1HG       GLN  96 -10.351  -0.108  10.876
  252   2HG   GLN  96          2HG       GLN  96 -10.475  -1.122  12.313
  253   1HE2  GLN  96          1HE2      GLN  96  -9.107  -3.383  11.248
  254   2HE2  GLN  96          2HE2      GLN  96  -7.438  -2.952  11.117
  255    H    ALA  97           H        ALA  97 -13.259  -3.001   8.693
  256    HA   ALA  97           HA       ALA  97 -12.433  -5.628   8.084
  257   1HB   ALA  97          1HB       ALA  97 -15.060  -4.290   7.467
  258   2HB   ALA  97          2HB       ALA  97 -14.640  -5.090   8.981
  259   3HB   ALA  97          3HB       ALA  97 -14.759  -6.028   7.490
  260    H    ALA  98           H        ALA  98 -13.131  -2.844   6.056
  261    HA   ALA  98           HA       ALA  98 -13.208  -4.234   3.587
  262   1HB   ALA  98          1HB       ALA  98 -14.119  -1.968   3.890
  263   2HB   ALA  98          2HB       ALA  98 -12.972  -2.053   2.552
  264   3HB   ALA  98          3HB       ALA  98 -12.479  -1.351   4.093
  265    H    LEU  99           H        LEU  99 -10.633  -2.680   5.427
  266    HA   LEU  99           HA       LEU  99  -8.584  -2.893   3.521
  267   1HB   LEU  99          1HB       LEU  99  -8.406  -2.975   6.538
  268   2HB   LEU  99          2HB       LEU  99  -7.040  -2.761   5.461
  269    HG   LEU  99           HG       LEU  99  -9.330  -0.846   5.881
  270   1HD1  LEU  99          1HD1      LEU  99  -7.627  -0.839   7.633
  271   2HD1  LEU  99          2HD1      LEU  99  -7.583   0.650   6.688
  272   3HD1  LEU  99          3HD1      LEU  99  -6.371  -0.603   6.417
  273   1HD2  LEU  99          1HD2      LEU  99  -7.997   0.627   4.328
  274   2HD2  LEU  99          2HD2      LEU  99  -8.836  -0.727   3.569
  275   3HD2  LEU  99          3HD2      LEU  99  -7.100  -0.819   3.862
  276    H    GLU 100           H        GLU 100  -9.747  -5.124   5.980
  277    HA   GLU 100           HA       GLU 100  -7.767  -7.108   5.621
  278   1HB   GLU 100          1HB       GLU 100 -10.620  -7.451   6.549
  279   2HB   GLU 100          2HB       GLU 100  -9.304  -8.588   6.803
  280   1HG   GLU 100          1HG       GLU 100  -8.165  -7.003   8.225
  281   2HG   GLU 100          2HG       GLU 100  -9.407  -5.791   7.909
  282    H    LEU 101           H        LEU 101 -10.852  -6.467   4.055
  283    HA   LEU 101           HA       LEU 101 -11.067  -8.895   2.643
  284   1HB   LEU 101          1HB       LEU 101 -12.154  -6.152   2.048
  285   2HB   LEU 101          2HB       LEU 101 -12.532  -7.559   1.078
  286    HG   LEU 101           HG       LEU 101 -13.433  -6.868   3.838
  287   1HD1  LEU 101          1HD1      LEU 101 -14.843  -6.365   1.913
  288   2HD1  LEU 101          2HD1      LEU 101 -15.577  -7.593   2.944
  289   3HD1  LEU 101          3HD1      LEU 101 -14.799  -8.061   1.433
  290   1HD2  LEU 101          1HD2      LEU 101 -12.464  -9.032   4.207
  291   2HD2  LEU 101          2HD2      LEU 101 -13.214  -9.666   2.742
  292   3HD2  LEU 101          3HD2      LEU 101 -14.217  -9.210   4.120
  293    H    ILE 102           H        ILE 102  -9.739  -5.742   1.679
  294    HA   ILE 102           HA       ILE 102  -8.957  -6.535  -0.913
  295    HB   ILE 102           HB       ILE 102  -7.605  -4.397   0.743
  296   1HG1  ILE 102          1HG1      ILE 102 -10.058  -4.122  -1.014
  297   2HG1  ILE 102          2HG1      ILE 102 -10.087  -4.140   0.747
  298   1HG2  ILE 102          1HG2      ILE 102  -6.450  -4.937  -1.314
  299   2HG2  ILE 102          2HG2      ILE 102  -7.217  -3.355  -1.462
  300   3HG2  ILE 102          3HG2      ILE 102  -7.945  -4.765  -2.234
  301   1HD1  ILE 102          1HD1      ILE 102  -8.719  -2.107   0.773
  302   2HD1  ILE 102          2HD1      ILE 102 -10.245  -1.883  -0.083
  303   3HD1  ILE 102          3HD1      ILE 102  -8.745  -2.082  -0.991
  304    H    PHE 103           H        PHE 103  -7.353  -6.645   2.208
  305    HA   PHE 103           HA       PHE 103  -4.794  -7.408   1.282
  306   1HB   PHE 103          1HB       PHE 103  -5.204  -6.486   3.529
  307   2HB   PHE 103          2HB       PHE 103  -6.115  -7.929   3.957
  308    HD1  PHE 103           HD1      PHE 103  -2.751  -6.686   3.053
  309    HD2  PHE 103           HD2      PHE 103  -5.032  -9.859   4.738
  310    HE1  PHE 103           HE1      PHE 103  -0.679  -7.752   3.844
  311    HE2  PHE 103           HE2      PHE 103  -2.965 -10.928   5.533
  312    HZ   PHE 103           HZ       PHE 103  -0.786  -9.875   5.087
  313    H    ALA 104           H        ALA 104  -7.677  -9.214   2.152
  314    HA   ALA 104           HA       ALA 104  -6.425 -11.788   1.991
  315   1HB   ALA 104          1HB       ALA 104  -9.346 -11.035   2.018
  316   2HB   ALA 104          2HB       ALA 104  -8.363 -11.451   3.422
  317   3HB   ALA 104          3HB       ALA 104  -8.707 -12.668   2.193
  318    H    GLY 105           H        GLY 105  -8.475  -9.844  -0.137
  319   1HA   GLY 105          1HA       GLY 105  -7.754 -10.079  -2.543
  320   2HA   GLY 105          2HA       GLY 105  -7.948 -11.805  -2.286
  321    H    GLY 106           H        GLY 106 -10.113  -9.412  -0.934
  322   1HA   GLY 106          1HA       GLY 106 -12.095  -8.667  -2.213
  323   2HA   GLY 106          2HA       GLY 106 -12.166 -10.297  -2.864
  324    H    ALA 107           H        ALA 107 -14.236 -10.699  -2.116
  325    HA   ALA 107           HA       ALA 107 -14.627 -10.650   0.792
  326   1HB   ALA 107          1HB       ALA 107 -16.277  -9.451  -0.629
  327   2HB   ALA 107          2HB       ALA 107 -16.991 -10.723   0.360
  328   3HB   ALA 107          3HB       ALA 107 -16.710 -10.995  -1.359
  329    HA   PRO 108           HA       PRO 108 -13.875 -15.099   0.322
  330   1HB   PRO 108          1HB       PRO 108 -13.945 -15.009   3.264
  331   2HB   PRO 108          2HB       PRO 108 -12.661 -15.566   2.190
  332   1HG   PRO 108          1HG       PRO 108 -12.440 -13.287   3.589
  333   2HG   PRO 108          2HG       PRO 108 -11.751 -13.459   1.963
  334   1HD   PRO 108          1HD       PRO 108 -14.285 -12.102   2.812
  335   2HD   PRO 108          2HD       PRO 108 -13.072 -11.582   1.621
  336   1H    MET   1          1H        MET   1  18.860   0.995   4.698
  337   2H    MET   1          2H        MET   1  19.779   0.370   5.975
  338   3H    MET   1          3H        MET   1  20.263   1.797   5.210
  339    HA   MET   1           HA       MET   1  19.248   2.180   7.378
  340   1HB   MET   1          1HB       MET   1  17.778   3.977   6.690
  341   2HB   MET   1          2HB       MET   1  19.160   3.908   5.610
  342   1HG   MET   1          1HG       MET   1  17.760   2.698   3.971
  343   2HG   MET   1          2HG       MET   1  16.379   2.917   5.046
  344   1HE   MET   1          1HE       MET   1  15.585   5.451   2.177
  345   2HE   MET   1          2HE       MET   1  14.959   4.132   3.165
  346   3HE   MET   1          3HE       MET   1  16.288   3.839   2.042
  347    H    GLN   2           H        GLN   2  17.290   2.280   8.606
  348    HA   GLN   2           HA       GLN   2  15.720  -0.126   8.238
  349   1HB   GLN   2          1HB       GLN   2  16.522   0.192  10.443
  350   2HB   GLN   2          2HB       GLN   2  15.990   1.865  10.477
  351   1HG   GLN   2          1HG       GLN   2  13.673   1.161  10.522
  352   2HG   GLN   2          2HG       GLN   2  14.166  -0.525  10.398
  353   1HE2  GLN   2          1HE2      GLN   2  14.212   2.318  12.438
  354   2HE2  GLN   2          2HE2      GLN   2  14.445   1.477  13.929
  355    H    ILE   3           H        ILE   3  13.817  -0.178   7.313
  356    HA   ILE   3           HA       ILE   3  12.110   2.221   7.375
  357    HB   ILE   3           HB       ILE   3  11.218   1.655   5.176
  358   1HG1  ILE   3          1HG1      ILE   3  13.394  -0.366   4.764
  359   2HG1  ILE   3          2HG1      ILE   3  11.889  -0.852   5.536
  360   1HG2  ILE   3          1HG2      ILE   3  13.173   2.218   3.798
  361   2HG2  ILE   3          2HG2      ILE   3  14.229   1.860   5.167
  362   3HG2  ILE   3          3HG2      ILE   3  13.089   3.204   5.260
  363   1HD1  ILE   3          1HD1      ILE   3  10.659  -0.036   3.563
  364   2HD1  ILE   3          2HD1      ILE   3  11.792  -1.333   3.186
  365   3HD1  ILE   3          3HD1      ILE   3  12.200   0.337   2.790
  366    H    PHE   4           H        PHE   4   9.792   1.706   7.280
  367    HA   PHE   4           HA       PHE   4   9.261  -0.971   8.395
  368   1HB   PHE   4          1HB       PHE   4   7.719   1.582   8.909
  369   2HB   PHE   4          2HB       PHE   4   7.405   0.012   9.641
  370    HD1  PHE   4           HD1      PHE   4   8.828   3.109  10.196
  371    HD2  PHE   4           HD2      PHE   4   9.603  -1.031  10.800
  372    HE1  PHE   4           HE1      PHE   4  10.363   3.667  12.033
  373    HE2  PHE   4           HE2      PHE   4  11.142  -0.476  12.636
  374    HZ   PHE   4           HZ       PHE   4  11.524   1.873  13.254
  375    H    VAL   5           H        VAL   5   8.123  -2.246   7.100
  376    HA   VAL   5           HA       VAL   5   6.521  -1.001   4.983
  377    HB   VAL   5           HB       VAL   5   7.201  -3.928   5.186
  378   1HG1  VAL   5          1HG1      VAL   5   6.814  -3.908   2.778
  379   2HG1  VAL   5          2HG1      VAL   5   6.464  -2.181   2.843
  380   3HG1  VAL   5          3HG1      VAL   5   5.399  -3.327   3.658
  381   1HG2  VAL   5          1HG2      VAL   5   9.062  -3.470   3.609
  382   2HG2  VAL   5          2HG2      VAL   5   9.315  -2.776   5.211
  383   3HG2  VAL   5          3HG2      VAL   5   8.813  -1.743   3.872
  384    H    LYS   6           H        LYS   6   4.635  -0.504   6.007
  385    HA   LYS   6           HA       LYS   6   3.239  -2.607   7.497
  386   1HB   LYS   6          1HB       LYS   6   3.469  -0.353   8.518
  387   2HB   LYS   6          2HB       LYS   6   2.554   0.323   7.180
  388   1HG   LYS   6          1HG       LYS   6   0.606  -0.981   7.838
  389   2HG   LYS   6          2HG       LYS   6   1.524  -1.696   9.166
  390   1HD   LYS   6          2HD       LYS   6   1.810   0.496  10.178
  391   2HD   LYS   6          1HD       LYS   6   0.966   1.252   8.826
  392   1HE   LYS   6          2HE       LYS   6  -1.047  -0.071   9.411
  393   2HE   LYS   6          1HE       LYS   6  -0.188  -0.688  10.822
  394   1HZ   LYS   6          1HZ       LYS   6  -0.001   1.556  11.667
  395   2HZ   LYS   6          2HZ       LYS   6  -1.626   1.191  11.371
  396   3HZ   LYS   6          3HZ       LYS   6  -0.771   2.175  10.294
  397    H    THR   7           H        THR   7   1.742  -3.771   6.512
  398    HA   THR   7           HA       THR   7   0.983  -3.312   3.821
  399    HB   THR   7           HB       THR   7  -0.727  -5.186   4.397
  400    HG1  THR   7           HG1      THR   7   1.011  -5.582   6.599
  401   1HG2  THR   7          1HG2      THR   7   1.251  -5.650   3.124
  402   2HG2  THR   7          2HG2      THR   7   1.127  -6.878   4.387
  403   3HG2  THR   7          3HG2      THR   7   2.266  -5.541   4.562
  404    H    LEU   8           H        LEU   8  -1.527  -4.046   6.159
  405    HA   LEU   8           HA       LEU   8  -2.827  -1.468   5.675
  406   1HB   LEU   8          1HB       LEU   8  -3.900  -4.145   4.851
  407   2HB   LEU   8          2HB       LEU   8  -4.997  -2.847   5.277
  408    HG   LEU   8           HG       LEU   8  -2.934  -2.712   3.076
  409   1HD1  LEU   8          1HD1      LEU   8  -5.920  -3.130   2.958
  410   2HD1  LEU   8          2HD1      LEU   8  -4.675  -4.298   2.510
  411   3HD1  LEU   8          3HD1      LEU   8  -4.879  -2.822   1.566
  412   1HD2  LEU   8          1HD2      LEU   8  -5.039  -0.795   4.046
  413   2HD2  LEU   8          2HD2      LEU   8  -4.344  -0.700   2.430
  414   3HD2  LEU   8          3HD2      LEU   8  -3.310  -0.515   3.845
  415    H    THR   9           H        THR   9  -3.684  -4.646   7.035
  416    HA   THR   9           HA       THR   9  -5.184  -3.578   9.162
  417    HB   THR   9           HB       THR   9  -4.035  -6.238   9.623
  418    HG1  THR   9           HG1      THR   9  -5.414  -7.026   7.775
  419   1HG2  THR   9          1HG2      THR   9  -6.865  -5.236   9.266
  420   2HG2  THR   9          2HG2      THR   9  -6.014  -5.401  10.803
  421   3HG2  THR   9          3HG2      THR   9  -6.404  -6.835   9.851
  422    H    GLY  10           H        GLY  10  -1.825  -4.776   9.008
  423   1HA   GLY  10          1HA       GLY  10  -0.820  -3.027  10.885
  424   2HA   GLY  10          2HA       GLY  10  -1.396  -4.400  11.811
  425    H    LYS  11           H        LYS  11  -0.605  -6.005   9.218
  426    HA   LYS  11           HA       LYS  11   1.769  -7.055  10.228
  427   1HB   LYS  11          1HB       LYS  11   0.455  -8.348   8.683
  428   2HB   LYS  11          2HB       LYS  11   0.638  -7.133   7.426
  429   1HG   LYS  11          1HG       LYS  11   3.055  -7.618   7.350
  430   2HG   LYS  11          2HG       LYS  11   2.814  -8.885   8.553
  431   1HD   LYS  11          2HD       LYS  11   0.997  -9.106   6.285
  432   2HD   LYS  11          1HD       LYS  11   2.698  -9.205   5.820
  433   1HE   LYS  11          2HE       LYS  11   1.570 -10.807   8.098
  434   2HE   LYS  11          1HE       LYS  11   1.511 -11.385   6.433
  435   1HZ   LYS  11          1HZ       LYS  11   3.972 -10.684   7.944
  436   2HZ   LYS  11          2HZ       LYS  11   3.933 -11.200   6.329
  437   3HZ   LYS  11          3HZ       LYS  11   3.447 -12.248   7.569
  438    H    THR  12           H        THR  12   3.529  -5.917  10.562
  439    HA   THR  12           HA       THR  12   4.532  -4.164   8.413
  440    HB   THR  12           HB       THR  12   5.271  -3.925  11.326
  441    HG1  THR  12           HG1      THR  12   2.898  -3.672  10.730
  442   1HG2  THR  12          1HG2      THR  12   5.942  -1.684  10.723
  443   2HG2  THR  12          2HG2      THR  12   5.300  -1.890   9.091
  444   3HG2  THR  12          3HG2      THR  12   6.704  -2.824   9.612
  445    H    ILE  13           H        ILE  13   6.115  -5.200   7.368
  446    HA   ILE  13           HA       ILE  13   7.788  -7.092   8.855
  447    HB   ILE  13           HB       ILE  13   8.569  -7.875   6.665
  448   1HG1  ILE  13          1HG1      ILE  13   6.539  -5.995   5.450
  449   2HG1  ILE  13          2HG1      ILE  13   8.261  -5.635   5.530
  450   1HG2  ILE  13          1HG2      ILE  13   6.608  -8.898   7.693
  451   2HG2  ILE  13          2HG2      ILE  13   6.481  -8.907   5.934
  452   3HG2  ILE  13          3HG2      ILE  13   5.564  -7.732   6.881
  453   1HD1  ILE  13          1HD1      ILE  13   7.548  -6.520   3.350
  454   2HD1  ILE  13          2HD1      ILE  13   7.074  -8.023   4.142
  455   3HD1  ILE  13          3HD1      ILE  13   8.766  -7.525   4.134
  456    H    THR  14           H        THR  14  10.039  -7.008   8.805
  457    HA   THR  14           HA       THR  14  11.116  -4.324   8.507
  458    HB   THR  14           HB       THR  14  12.772  -6.680   9.351
  459    HG1  THR  14           HG1      THR  14  11.973  -6.150  11.552
  460   1HG2  THR  14          1HG2      THR  14  13.815  -5.008  10.798
  461   2HG2  THR  14          2HG2      THR  14  12.653  -3.802  10.249
  462   3HG2  THR  14          3HG2      THR  14  13.819  -4.480   9.115
  463    H    LEU  15           H        LEU  15  12.512  -3.729   6.899
  464    HA   LEU  15           HA       LEU  15  13.466  -5.844   5.100
  465   1HB   LEU  15          1HB       LEU  15  11.416  -4.314   4.383
  466   2HB   LEU  15          2HB       LEU  15  12.705  -3.204   3.962
  467    HG   LEU  15           HG       LEU  15  13.695  -5.065   2.557
  468   1HD1  LEU  15          1HD1      LEU  15  12.513  -6.936   3.575
  469   2HD1  LEU  15          2HD1      LEU  15  12.155  -6.836   1.852
  470   3HD1  LEU  15          3HD1      LEU  15  10.970  -6.275   3.030
  471   1HD2  LEU  15          1HD2      LEU  15  12.469  -3.157   1.621
  472   2HD2  LEU  15          2HD2      LEU  15  10.960  -4.050   1.797
  473   3HD2  LEU  15          3HD2      LEU  15  12.203  -4.631   0.692
  474    H    GLU  16           H        GLU  16  15.457  -5.519   4.163
  475    HA   GLU  16           HA       GLU  16  17.050  -3.365   5.365
  476   1HB   GLU  16          1HB       GLU  16  17.957  -5.910   4.006
  477   2HB   GLU  16          2HB       GLU  16  18.998  -4.739   4.805
  478   1HG   GLU  16          1HG       GLU  16  17.897  -5.223   6.937
  479   2HG   GLU  16          2HG       GLU  16  16.871  -6.406   6.131
  480    H    VAL  17           H        VAL  17  16.812  -1.642   4.029
  481    HA   VAL  17           HA       VAL  17  17.697  -2.015   1.251
  482    HB   VAL  17           HB       VAL  17  16.070  -0.292   0.509
  483   1HG1  VAL  17          1HG1      VAL  17  15.571  -2.649   0.172
  484   2HG1  VAL  17          2HG1      VAL  17  14.098  -1.742   0.517
  485   3HG1  VAL  17          3HG1      VAL  17  14.834  -2.737   1.773
  486   1HG2  VAL  17          1HG2      VAL  17  14.867  -0.666   3.245
  487   2HG2  VAL  17          2HG2      VAL  17  14.186   0.292   1.932
  488   3HG2  VAL  17          3HG2      VAL  17  15.705   0.779   2.682
  489    H    GLU  18           H        GLU  18  18.599  -0.157   0.257
  490    HA   GLU  18           HA       GLU  18  19.702   1.784   2.179
  491   1HB   GLU  18          1HB       GLU  18  20.755   0.761  -0.470
  492   2HB   GLU  18          2HB       GLU  18  21.491   2.082   0.427
  493   1HG   GLU  18          1HG       GLU  18  21.160  -0.735   1.436
  494   2HG   GLU  18          2HG       GLU  18  22.644  -0.057   0.770
  495    HA   PRO  19           HA       PRO  19  17.672   5.168   0.151
  496   1HB   PRO  19          1HB       PRO  19  20.282   6.386  -0.561
  497   2HB   PRO  19          2HB       PRO  19  18.935   7.067   0.357
  498   1HG   PRO  19          1HG       PRO  19  21.162   6.293   1.596
  499   2HG   PRO  19          2HG       PRO  19  19.569   6.009   2.325
  500   1HD   PRO  19          1HD       PRO  19  21.377   4.091   0.908
  501   2HD   PRO  19          2HD       PRO  19  20.372   3.837   2.351
  502    H    SER  20           H        SER  20  20.339   3.697  -1.596
  503    HA   SER  20           HA       SER  20  19.541   4.743  -4.157
  504   1HB   SER  20          1HB       SER  20  21.363   2.448  -4.157
  505   2HB   SER  20          2HB       SER  20  21.589   4.066  -4.820
  506    HG   SER  20           HG       SER  20  22.773   3.142  -2.739
  507    H    ASP  21           H        ASP  21  18.300   2.345  -2.231
  508    HA   ASP  21           HA       ASP  21  17.861   0.255  -4.104
  509   1HB   ASP  21          1HB       ASP  21  16.937   0.929  -1.390
  510   2HB   ASP  21          2HB       ASP  21  15.781   0.009  -2.346
  511    H    THR  22           H        THR  22  16.439   0.109  -5.717
  512    HA   THR  22           HA       THR  22  14.613   2.283  -6.217
  513    HB   THR  22           HB       THR  22  13.943   0.656  -8.172
  514    HG1  THR  22           HG1      THR  22  16.541  -0.324  -7.545
  515   1HG2  THR  22          1HG2      THR  22  15.812   1.502  -9.516
  516   2HG2  THR  22          2HG2      THR  22  16.662   1.968  -8.043
  517   3HG2  THR  22          3HG2      THR  22  15.149   2.765  -8.477
  518    H    ILE  23           H        ILE  23  12.321   1.991  -6.525
  519    HA   ILE  23           HA       ILE  23  11.068   0.620  -4.432
  520    HB   ILE  23           HB       ILE  23   9.850   1.585  -7.025
  521   1HG1  ILE  23          1HG1      ILE  23  10.967   3.383  -5.825
  522   2HG1  ILE  23          2HG1      ILE  23   9.223   3.580  -5.700
  523   1HG2  ILE  23          1HG2      ILE  23   8.520   0.906  -4.401
  524   2HG2  ILE  23          2HG2      ILE  23   8.389  -0.007  -5.904
  525   3HG2  ILE  23          3HG2      ILE  23   7.726   1.624  -5.803
  526   1HD1  ILE  23          1HD1      ILE  23  10.217   4.077  -3.586
  527   2HD1  ILE  23          2HD1      ILE  23  11.088   2.545  -3.582
  528   3HD1  ILE  23          3HD1      ILE  23   9.330   2.559  -3.442
  529    H    GLU  24           H        GLU  24  11.722  -0.345  -7.758
  530    HA   GLU  24           HA       GLU  24  10.129  -2.674  -7.798
  531   1HB   GLU  24          1HB       GLU  24  11.265  -1.506  -9.770
  532   2HB   GLU  24          2HB       GLU  24  12.734  -2.341  -9.284
  533   1HG   GLU  24          1HG       GLU  24  11.418  -4.491  -9.475
  534   2HG   GLU  24          2HG       GLU  24  10.163  -3.536 -10.262
  535    H    ASN  25           H        ASN  25  13.416  -2.040  -6.695
  536    HA   ASN  25           HA       ASN  25  14.101  -4.767  -6.235
  537   1HB   ASN  25          1HB       ASN  25  15.668  -2.685  -6.422
  538   2HB   ASN  25          2HB       ASN  25  15.341  -2.503  -4.700
  539   1HD2  ASN  25          1HD2      ASN  25  17.166  -3.116  -3.742
  540   2HD2  ASN  25          2HD2      ASN  25  17.970  -4.628  -4.010
  541    H    VAL  26           H        VAL  26  12.707  -2.184  -4.313
  542    HA   VAL  26           HA       VAL  26  12.755  -3.400  -1.798
  543    HB   VAL  26           HB       VAL  26  10.686  -1.504  -2.942
  544   1HG1  VAL  26          1HG1      VAL  26  10.160  -0.955  -0.610
  545   2HG1  VAL  26          2HG1      VAL  26  11.255  -2.228  -0.069
  546   3HG1  VAL  26          3HG1      VAL  26   9.803  -2.642  -0.982
  547   1HG2  VAL  26          1HG2      VAL  26  11.956   0.229  -1.755
  548   2HG2  VAL  26          2HG2      VAL  26  12.930  -0.576  -2.986
  549   3HG2  VAL  26          3HG2      VAL  26  13.150  -0.981  -1.282
  550    H    LYS  27           H        LYS  27  10.316  -3.495  -4.362
  551    HA   LYS  27           HA       LYS  27   8.452  -5.139  -3.051
  552   1HB   LYS  27          1HB       LYS  27   9.026  -4.742  -5.989
  553   2HB   LYS  27          2HB       LYS  27   7.656  -5.660  -5.380
  554   1HG   LYS  27          1HG       LYS  27   6.806  -3.670  -4.261
  555   2HG   LYS  27          2HG       LYS  27   8.188  -2.744  -4.853
  556   1HD   LYS  27          2HD       LYS  27   7.495  -3.165  -7.153
  557   2HD   LYS  27          1HD       LYS  27   6.129  -4.122  -6.576
  558   1HE   LYS  27          2HE       LYS  27   5.245  -2.137  -5.435
  559   2HE   LYS  27          1HE       LYS  27   6.596  -1.189  -6.058
  560   1HZ   LYS  27          1HZ       LYS  27   4.484  -1.013  -7.350
  561   2HZ   LYS  27          2HZ       LYS  27   4.687  -2.628  -7.807
  562   3HZ   LYS  27          3HZ       LYS  27   5.835  -1.472  -8.267
  563    H    ALA  28           H        ALA  28  11.220  -5.888  -5.109
  564    HA   ALA  28           HA       ALA  28  10.805  -8.649  -5.367
  565   1HB   ALA  28          1HB       ALA  28  13.230  -8.754  -5.881
  566   2HB   ALA  28          2HB       ALA  28  13.371  -7.065  -5.388
  567   3HB   ALA  28          3HB       ALA  28  12.378  -7.497  -6.780
  568    H    LYS  29           H        LYS  29  12.482  -6.748  -2.911
  569    HA   LYS  29           HA       LYS  29  13.485  -8.974  -1.462
  570   1HB   LYS  29          1HB       LYS  29  12.995  -6.108  -0.638
  571   2HB   LYS  29          2HB       LYS  29  13.805  -7.292   0.378
  572   1HG   LYS  29          1HG       LYS  29  15.574  -7.533  -1.269
  573   2HG   LYS  29          2HG       LYS  29  14.748  -6.405  -2.344
  574   1HD   LYS  29          2HD       LYS  29  15.101  -4.591  -0.845
  575   2HD   LYS  29          1HD       LYS  29  15.641  -5.673   0.441
  576   1HE   LYS  29          2HE       LYS  29  17.632  -6.226  -0.794
  577   2HE   LYS  29          1HE       LYS  29  17.065  -5.316  -2.192
  578   1HZ   LYS  29          1HZ       LYS  29  18.753  -4.200  -0.716
  579   2HZ   LYS  29          2HZ       LYS  29  17.521  -4.030   0.432
  580   3HZ   LYS  29          3HZ       LYS  29  17.374  -3.294  -1.094
  581    H    ILE  30           H        ILE  30  10.531  -7.050  -1.266
  582    HA   ILE  30           HA       ILE  30   9.545  -8.238   1.114
  583    HB   ILE  30           HB       ILE  30   8.078  -6.875  -1.153
  584   1HG1  ILE  30          1HG1      ILE  30   8.696  -5.857   1.626
  585   2HG1  ILE  30          2HG1      ILE  30   9.725  -5.544   0.234
  586   1HG2  ILE  30          1HG2      ILE  30   7.041  -7.734   1.547
  587   2HG2  ILE  30          2HG2      ILE  30   6.530  -8.350  -0.024
  588   3HG2  ILE  30          3HG2      ILE  30   6.184  -6.680   0.424
  589   1HD1  ILE  30          1HD1      ILE  30   6.849  -4.703   0.512
  590   2HD1  ILE  30          2HD1      ILE  30   7.904  -4.359  -0.859
  591   3HD1  ILE  30          3HD1      ILE  30   8.258  -3.667   0.724
  592    H    GLN  31           H        GLN  31   9.065  -8.917  -2.321
  593    HA   GLN  31           HA       GLN  31   7.228 -11.034  -2.046
  594   1HB   GLN  31          1HB       GLN  31   7.560  -9.955  -4.181
  595   2HB   GLN  31          2HB       GLN  31   9.259 -10.398  -4.192
  596   1HG   GLN  31          1HG       GLN  31   8.428 -12.823  -4.192
  597   2HG   GLN  31          2HG       GLN  31   6.864 -12.140  -4.631
  598   1HE2  GLN  31          1HE2      GLN  31   6.880 -13.110  -6.659
  599   2HE2  GLN  31          2HE2      GLN  31   7.915 -12.561  -7.934
  600    H    ASP  32           H        ASP  32  10.700 -10.865  -1.874
  601    HA   ASP  32           HA       ASP  32  11.324 -13.582  -2.107
  602   1HB   ASP  32          1HB       ASP  32  12.996 -11.824  -2.311
  603   2HB   ASP  32          2HB       ASP  32  12.778 -11.395  -0.618
  604    H    LYS  33           H        LYS  33  10.492 -11.659   0.777
  605    HA   LYS  33           HA       LYS  33  10.781 -14.114   2.363
  606   1HB   LYS  33          1HB       LYS  33  10.606 -12.616   4.349
  607   2HB   LYS  33          2HB       LYS  33  11.989 -12.303   3.316
  608   1HG   LYS  33          1HG       LYS  33  11.069 -10.309   2.497
  609   2HG   LYS  33          2HG       LYS  33   9.453 -10.719   3.075
  610   1HD   LYS  33          2HD       LYS  33  10.437  -9.022   4.501
  611   2HD   LYS  33          1HD       LYS  33  10.261 -10.531   5.396
  612   1HE   LYS  33          2HE       LYS  33  12.670 -11.014   4.833
  613   2HE   LYS  33          1HE       LYS  33  12.777  -9.365   4.220
  614   1HZ   LYS  33          1HZ       LYS  33  12.228  -8.527   6.401
  615   2HZ   LYS  33          2HZ       LYS  33  13.552  -9.576   6.525
  616   3HZ   LYS  33          3HZ       LYS  33  12.015 -10.098   6.997
  617    H    GLU  34           H        GLU  34   8.315 -11.843   1.319
  618    HA   GLU  34           HA       GLU  34   6.364 -13.074   3.111
  619   1HB   GLU  34          1HB       GLU  34   6.201 -10.734   1.219
  620   2HB   GLU  34          2HB       GLU  34   4.802 -11.372   2.070
  621   1HG   GLU  34          1HG       GLU  34   7.287 -10.261   3.353
  622   2HG   GLU  34          2HG       GLU  34   5.735  -9.436   3.211
  623    H    GLY  35           H        GLY  35   7.056 -12.832  -0.343
  624   1HA   GLY  35          1HA       GLY  35   6.546 -14.616  -1.840
  625   2HA   GLY  35          2HA       GLY  35   5.239 -15.101  -0.769
  626    H    ILE  36           H        ILE  36   4.722 -12.028  -0.682
  627    HA   ILE  36           HA       ILE  36   2.530 -12.033  -2.457
  628    HB   ILE  36           HB       ILE  36   3.864  -9.613  -1.234
  629   1HG1  ILE  36          1HG1      ILE  36   1.559 -11.151  -0.047
  630   2HG1  ILE  36          2HG1      ILE  36   3.231 -11.522   0.364
  631   1HG2  ILE  36          1HG2      ILE  36   1.030 -10.078  -2.160
  632   2HG2  ILE  36          2HG2      ILE  36   2.238  -9.082  -2.972
  633   3HG2  ILE  36          3HG2      ILE  36   1.630  -8.614  -1.385
  634   1HD1  ILE  36          1HD1      ILE  36   2.213 -10.078   2.026
  635   2HD1  ILE  36          2HD1      ILE  36   1.856  -8.879   0.782
  636   3HD1  ILE  36          3HD1      ILE  36   3.530  -9.249   1.196
  637    HA   PRO  37           HA       PRO  37   4.801 -11.228  -6.248
  638   1HB   PRO  37          1HB       PRO  37   2.089 -10.491  -7.195
  639   2HB   PRO  37          2HB       PRO  37   3.242 -11.640  -7.876
  640   1HG   PRO  37          1HG       PRO  37   1.073 -12.481  -6.574
  641   2HG   PRO  37          2HG       PRO  37   2.622 -13.329  -6.422
  642   1HD   PRO  37          1HD       PRO  37   1.280 -11.469  -4.507
  643   2HD   PRO  37          2HD       PRO  37   2.227 -12.937  -4.185
  644    HA   PRO  38           HA       PRO  38   5.403  -6.819  -5.932
  645   1HB   PRO  38          1HB       PRO  38   6.197  -7.055  -8.786
  646   2HB   PRO  38          2HB       PRO  38   7.086  -6.368  -7.423
  647   1HG   PRO  38          1HG       PRO  38   7.769  -8.734  -8.426
  648   2HG   PRO  38          2HG       PRO  38   7.809  -8.445  -6.677
  649   1HD   PRO  38          1HD       PRO  38   5.784  -9.924  -8.312
  650   2HD   PRO  38          2HD       PRO  38   6.437 -10.308  -6.704
  651    H    ASP  39           H        ASP  39   3.618  -8.305  -8.538
  652    HA   ASP  39           HA       ASP  39   2.459  -5.990  -9.654
  653   1HB   ASP  39          1HB       ASP  39   2.396  -7.995 -10.931
  654   2HB   ASP  39          2HB       ASP  39   1.639  -8.892  -9.621
  655    H    GLN  40           H        GLN  40   1.719  -7.865  -6.833
  656    HA   GLN  40           HA       GLN  40  -0.859  -6.541  -6.466
  657   1HB   GLN  40          1HB       GLN  40   0.565  -8.705  -4.915
  658   2HB   GLN  40          2HB       GLN  40  -0.952  -7.988  -4.397
  659   1HG   GLN  40          1HG       GLN  40  -2.056  -8.796  -6.384
  660   2HG   GLN  40          2HG       GLN  40  -0.531  -9.436  -6.998
  661   1HE2  GLN  40          1HE2      GLN  40  -1.467  -9.592  -3.637
  662   2HE2  GLN  40          2HE2      GLN  40  -1.678 -11.305  -3.576
  663    H    GLN  41           H        GLN  41   2.367  -6.014  -5.749
  664    HA   GLN  41           HA       GLN  41   1.924  -4.790  -3.163
  665   1HB   GLN  41          1HB       GLN  41   4.395  -4.915  -4.892
  666   2HB   GLN  41          2HB       GLN  41   4.334  -4.254  -3.266
  667   1HG   GLN  41          1HG       GLN  41   3.611  -6.505  -2.461
  668   2HG   GLN  41          2HG       GLN  41   3.907  -7.116  -4.091
  669   1HE2  GLN  41          1HE2      GLN  41   5.565  -8.477  -3.525
  670   2HE2  GLN  41          2HE2      GLN  41   7.111  -7.901  -2.998
  671    H    ARG  42           H        ARG  42   0.688  -2.985  -3.382
  672    HA   ARG  42           HA       ARG  42   1.575  -0.949  -5.306
  673   1HB   ARG  42          1HB       ARG  42  -0.898  -1.755  -5.076
  674   2HB   ARG  42          2HB       ARG  42  -0.918  -0.738  -3.642
  675   1HG   ARG  42          1HG       ARG  42  -0.065   1.121  -5.172
  676   2HG   ARG  42          2HG       ARG  42  -0.544   0.066  -6.503
  677   1HD   ARG  42          1HD       ARG  42  -2.347   1.570  -6.064
  678   2HD   ARG  42          2HD       ARG  42  -2.826  -0.034  -5.509
  679    HE   ARG  42           HE       ARG  42  -1.657   1.673  -3.486
  680   1HH1  ARG  42          1HH1      ARG  42  -4.619   0.636  -5.061
  681   2HH1  ARG  42          2HH1      ARG  42  -5.617   1.014  -3.685
  682   1HH2  ARG  42          1HH2      ARG  42  -2.986   2.233  -1.714
  683   2HH2  ARG  42          2HH2      ARG  42  -4.689   1.930  -1.790
  684    H    LEU  43           H        LEU  43   3.388  -0.291  -4.141
  685    HA   LEU  43           HA       LEU  43   3.242   0.489  -1.395
  686   1HB   LEU  43          1HB       LEU  43   5.319   0.650  -3.539
  687   2HB   LEU  43          2HB       LEU  43   5.530   1.563  -2.060
  688    HG   LEU  43           HG       LEU  43   5.072  -1.414  -2.083
  689   1HD1  LEU  43          1HD1      LEU  43   7.687   0.083  -2.011
  690   2HD1  LEU  43          2HD1      LEU  43   7.100  -0.918  -3.339
  691   3HD1  LEU  43          3HD1      LEU  43   7.483  -1.654  -1.782
  692   1HD2  LEU  43          1HD2      LEU  43   6.142   0.489  -0.001
  693   2HD2  LEU  43          2HD2      LEU  43   6.063  -1.264   0.167
  694   3HD2  LEU  43          3HD2      LEU  43   4.578  -0.324   0.028
  695    H    ILE  44           H        ILE  44   2.340   2.257  -0.675
  696    HA   ILE  44           HA       ILE  44   2.514   4.712  -2.301
  697    HB   ILE  44           HB       ILE  44   0.221   4.101  -0.438
  698   1HG1  ILE  44          1HG1      ILE  44   0.328   2.445  -2.329
  699   2HG1  ILE  44          2HG1      ILE  44  -1.131   3.428  -2.302
  700   1HG2  ILE  44          1HG2      ILE  44  -0.877   5.874  -1.858
  701   2HG2  ILE  44          2HG2      ILE  44   0.713   6.184  -2.551
  702   3HG2  ILE  44          3HG2      ILE  44   0.441   6.424  -0.826
  703   1HD1  ILE  44          1HD1      ILE  44  -0.364   3.207  -4.559
  704   2HD1  ILE  44          2HD1      ILE  44   1.246   3.771  -4.112
  705   3HD1  ILE  44          3HD1      ILE  44  -0.126   4.877  -4.039
  706    H    PHE  45           H        PHE  45   3.041   6.578  -1.205
  707    HA   PHE  45           HA       PHE  45   3.495   6.320   1.691
  708   1HB   PHE  45          1HB       PHE  45   5.596   6.199   0.265
  709   2HB   PHE  45          2HB       PHE  45   5.289   7.877  -0.169
  710    HD1  PHE  45           HD1      PHE  45   5.112   5.984   3.044
  711    HD2  PHE  45           HD2      PHE  45   6.781   9.257   0.898
  712    HE1  PHE  45           HE1      PHE  45   6.295   6.705   5.075
  713    HE2  PHE  45           HE2      PHE  45   7.969   9.984   2.926
  714    HZ   PHE  45           HZ       PHE  45   7.726   8.706   5.016
  715    H    ALA  46           H        ALA  46   1.698   7.424   2.301
  716    HA   ALA  46           HA       ALA  46   0.350   9.172   2.795
  717   1HB   ALA  46          1HB       ALA  46   2.745  10.877   2.140
  718   2HB   ALA  46          2HB       ALA  46   2.495  10.036   3.670
  719   3HB   ALA  46          3HB       ALA  46   1.380  11.307   3.171
  720    H    GLY  47           H        GLY  47  -0.103   8.238   0.282
  721   1HA   GLY  47          1HA       GLY  47  -1.588   9.031  -1.362
  722   2HA   GLY  47          2HA       GLY  47  -1.053  10.667  -1.031
  723    H    LYS  48           H        LYS  48   1.797   9.429  -1.216
  724    HA   LYS  48           HA       LYS  48   2.069  10.007  -4.054
  725   1HB   LYS  48          1HB       LYS  48   4.190   9.432  -1.973
  726   2HB   LYS  48          2HB       LYS  48   4.475  10.042  -3.597
  727   1HG   LYS  48          1HG       LYS  48   3.571  12.137  -3.096
  728   2HG   LYS  48          2HG       LYS  48   2.764  11.541  -1.644
  729   1HD   LYS  48          2HD       LYS  48   4.908  11.242  -0.544
  730   2HD   LYS  48          1HD       LYS  48   5.754  11.741  -2.009
  731   1HE   LYS  48          2HE       LYS  48   4.558  13.936  -1.838
  732   2HE   LYS  48          1HE       LYS  48   3.958  13.418  -0.265
  733   1HZ   LYS  48          1HZ       LYS  48   6.190  13.307   0.561
  734   2HZ   LYS  48          2HZ       LYS  48   5.968  14.821  -0.154
  735   3HZ   LYS  48          3HZ       LYS  48   6.833  13.624  -0.971
  736    H    GLN  49           H        GLN  49   1.938   8.413  -5.497
  737    HA   GLN  49           HA       GLN  49   2.241   5.659  -4.760
  738   1HB   GLN  49          1HB       GLN  49   0.637   6.193  -6.476
  739   2HB   GLN  49          2HB       GLN  49   1.857   7.033  -7.426
  740   1HG   GLN  49          1HG       GLN  49   3.043   4.822  -7.646
  741   2HG   GLN  49          2HG       GLN  49   1.613   4.076  -6.938
  742   1HE2  GLN  49          1HE2      GLN  49  -0.198   3.812  -8.165
  743   2HE2  GLN  49          2HE2      GLN  49  -0.274   4.181  -9.853
  744    H    LEU  50           H        LEU  50   4.096   4.567  -4.667
  745    HA   LEU  50           HA       LEU  50   6.531   5.823  -5.596
  746   1HB   LEU  50          1HB       LEU  50   6.283   3.086  -4.366
  747   2HB   LEU  50          2HB       LEU  50   7.693   4.125  -4.410
  748    HG   LEU  50           HG       LEU  50   5.196   4.557  -2.769
  749   1HD1  LEU  50          1HD1      LEU  50   7.953   4.277  -1.678
  750   2HD1  LEU  50          2HD1      LEU  50   7.064   2.834  -2.153
  751   3HD1  LEU  50          3HD1      LEU  50   6.402   3.912  -0.926
  752   1HD2  LEU  50          1HD2      LEU  50   6.063   6.695  -3.562
  753   2HD2  LEU  50          2HD2      LEU  50   7.674   6.266  -2.982
  754   3HD2  LEU  50          3HD2      LEU  50   6.357   6.497  -1.833
  755    H    GLU  51           H        GLU  51   7.093   5.651  -7.643
  756    HA   GLU  51           HA       GLU  51   6.145   3.535  -9.334
  757   1HB   GLU  51          1HB       GLU  51   6.440   5.812 -10.187
  758   2HB   GLU  51          2HB       GLU  51   8.159   5.728  -9.843
  759   1HG   GLU  51          1HG       GLU  51   8.316   3.837 -11.461
  760   2HG   GLU  51          2HG       GLU  51   6.630   4.131 -11.879
  761    H    ASP  52           H        ASP  52   7.180   1.765 -10.007
  762    HA   ASP  52           HA       ASP  52   9.139   0.526  -8.517
  763   1HB   ASP  52          1HB       ASP  52   8.110   0.085 -11.293
  764   2HB   ASP  52          2HB       ASP  52   9.441  -0.889 -10.682
  765    H    GLY  53           H        GLY  53   9.552   2.525 -11.390
  766   1HA   GLY  53          1HA       GLY  53  12.338   1.873 -11.674
  767   2HA   GLY  53          2HA       GLY  53  11.454   3.082 -12.582
  768    H    ARG  54           H        ARG  54  10.752   3.927  -9.532
  769    HA   ARG  54           HA       ARG  54  12.920   5.893  -9.525
  770   1HB   ARG  54          1HB       ARG  54  10.356   5.799  -7.926
  771   2HB   ARG  54          2HB       ARG  54  11.545   7.090  -7.849
  772   1HG   ARG  54          1HG       ARG  54   9.883   6.317 -10.234
  773   2HG   ARG  54          2HG       ARG  54   9.702   7.764  -9.243
  774   1HD   ARG  54          1HD       ARG  54  11.074   8.801 -10.655
  775   2HD   ARG  54          2HD       ARG  54  12.369   7.751 -10.082
  776    HE   ARG  54           HE       ARG  54  10.643   6.712 -12.193
  777   1HH1  ARG  54          1HH1      ARG  54  13.706   8.179 -11.317
  778   2HH1  ARG  54          2HH1      ARG  54  14.512   7.658 -12.760
  779   1HH2  ARG  54          1HH2      ARG  54  11.695   6.042 -14.095
  780   2HH2  ARG  54          2HH2      ARG  54  13.363   6.441 -14.349
  781    H    THR  55           H        THR  55  13.701   6.588  -7.333
  782    HA   THR  55           HA       THR  55  14.369   4.186  -5.767
  783    HB   THR  55           HB       THR  55  16.264   5.686  -4.893
  784    HG1  THR  55           HG1      THR  55  15.135   7.293  -6.895
  785   1HG2  THR  55          1HG2      THR  55  17.690   5.191  -6.830
  786   2HG2  THR  55          2HG2      THR  55  16.254   4.863  -7.800
  787   3HG2  THR  55          3HG2      THR  55  16.646   3.826  -6.427
  788    H    LEU  56           H        LEU  56  14.864   4.729  -3.399
  789    HA   LEU  56           HA       LEU  56  12.514   5.794  -2.234
  790   1HB   LEU  56          1HB       LEU  56  15.173   5.073  -1.004
  791   2HB   LEU  56          2HB       LEU  56  13.735   5.478  -0.084
  792    HG   LEU  56           HG       LEU  56  13.692   3.220  -2.062
  793   1HD1  LEU  56          1HD1      LEU  56  14.267   1.679  -0.275
  794   2HD1  LEU  56          2HD1      LEU  56  14.542   3.031   0.824
  795   3HD1  LEU  56          3HD1      LEU  56  15.591   2.804  -0.578
  796   1HD2  LEU  56          1HD2      LEU  56  12.157   3.769   0.477
  797   2HD2  LEU  56          2HD2      LEU  56  11.913   2.408  -0.618
  798   3HD2  LEU  56          3HD2      LEU  56  11.572   4.049  -1.163
  799    H    SER  57           H        SER  57  15.643   7.140  -2.966
  800    HA   SER  57           HA       SER  57  15.404   9.441  -1.317
  801   1HB   SER  57          1HB       SER  57  17.125   9.040  -3.771
  802   2HB   SER  57          2HB       SER  57  17.355  10.257  -2.517
  803    HG   SER  57           HG       SER  57  17.549   8.423  -1.032
  804    H    ASP  58           H        ASP  58  14.081   8.588  -4.381
  805    HA   ASP  58           HA       ASP  58  13.820  11.161  -5.519
  806   1HB   ASP  58          1HB       ASP  58  12.379   8.559  -5.938
  807   2HB   ASP  58          2HB       ASP  58  11.824  10.026  -6.736
  808    H    TYR  59           H        TYR  59  11.762   9.308  -3.359
  809    HA   TYR  59           HA       TYR  59   9.815  11.486  -3.302
  810   1HB   TYR  59          1HB       TYR  59   9.689   8.757  -2.002
  811   2HB   TYR  59          2HB       TYR  59   8.377   9.930  -2.088
  812    HD1  TYR  59           HD1      TYR  59  10.200   7.332  -3.852
  813    HD2  TYR  59           HD2      TYR  59   7.325  10.440  -4.270
  814    HE1  TYR  59           HE1      TYR  59   9.486   6.377  -6.003
  815    HE2  TYR  59           HE2      TYR  59   6.604   9.495  -6.420
  816    HH   TYR  59           HH       TYR  59   7.327   8.065  -8.135
  817    H    ASN  60           H        ASN  60  12.611  11.208  -1.968
  818    HA   ASN  60           HA       ASN  60  13.656  11.895  -0.081
  819   1HB   ASN  60          1HB       ASN  60  12.173  13.905  -0.607
  820   2HB   ASN  60          2HB       ASN  60  11.101  13.317   0.660
  821   1HD2  ASN  60          1HD2      ASN  60  14.357  14.469  -0.012
  822   2HD2  ASN  60          2HD2      ASN  60  14.684  15.033   1.590
  823    H    ILE  61           H        ILE  61  12.713   9.384   0.095
  824    HA   ILE  61           HA       ILE  61  11.338   9.102   2.646
  825    HB   ILE  61           HB       ILE  61  12.312   6.962   0.742
  826   1HG1  ILE  61          1HG1      ILE  61   9.472   7.886   1.177
  827   2HG1  ILE  61          2HG1      ILE  61  10.496   8.544  -0.092
  828   1HG2  ILE  61          1HG2      ILE  61  10.897   5.447   2.013
  829   2HG2  ILE  61          2HG2      ILE  61  10.429   6.760   3.091
  830   3HG2  ILE  61          3HG2      ILE  61  12.098   6.195   3.066
  831   1HD1  ILE  61          1HD1      ILE  61  10.686   6.355  -1.105
  832   2HD1  ILE  61          2HD1      ILE  61   8.990   6.799  -0.909
  833   3HD1  ILE  61          3HD1      ILE  61   9.736   5.648   0.202
  834    H    GLN  62           H        GLN  62  12.507   9.197   4.416
  835    HA   GLN  62           HA       GLN  62  15.317   8.354   4.357
  836   1HB   GLN  62          1HB       GLN  62  13.764   9.997   6.369
  837   2HB   GLN  62          2HB       GLN  62  15.455   9.550   6.547
  838   1HG   GLN  62          1HG       GLN  62  15.963  10.773   4.470
  839   2HG   GLN  62          2HG       GLN  62  14.275  11.276   4.386
  840   1HE2  GLN  62          1HE2      GLN  62  17.265  11.566   6.163
  841   2HE2  GLN  62          2HE2      GLN  62  16.843  13.013   7.012
  842    H    LYS  63           H        LYS  63  15.696   7.829   7.036
  843    HA   LYS  63           HA       LYS  63  14.638   5.178   7.229
  844   1HB   LYS  63          1HB       LYS  63  15.914   5.131   9.396
  845   2HB   LYS  63          2HB       LYS  63  16.883   5.508   7.979
  846   1HG   LYS  63          1HG       LYS  63  16.960   7.821   8.553
  847   2HG   LYS  63          2HG       LYS  63  15.776   7.593   9.842
  848   1HD   LYS  63          2HD       LYS  63  17.393   6.075  10.969
  849   2HD   LYS  63          1HD       LYS  63  18.580   6.498   9.735
  850   1HE   LYS  63          2HE       LYS  63  18.888   7.817  11.776
  851   2HE   LYS  63          1HE       LYS  63  18.469   8.835  10.400
  852   1HZ   LYS  63          1HZ       LYS  63  16.355   9.215  11.220
  853   2HZ   LYS  63          2HZ       LYS  63  17.288   9.227  12.628
  854   3HZ   LYS  63          3HZ       LYS  63  16.370   7.859  12.234
  855    H    GLU  64           H        GLU  64  13.512   4.355   9.113
  856    HA   GLU  64           HA       GLU  64  11.879   4.308  10.689
  857   1HB   GLU  64          1HB       GLU  64  12.732   7.147  10.919
  858   2HB   GLU  64          2HB       GLU  64  11.181   6.705  11.617
  859   1HG   GLU  64          1HG       GLU  64  12.694   6.510  13.369
  860   2HG   GLU  64          2HG       GLU  64  12.437   4.854  12.825
  861    H    SER  65           H        SER  65  11.601   5.535   7.722
  862    HA   SER  65           HA       SER  65   8.948   6.628   7.883
  863   1HB   SER  65          1HB       SER  65  10.420   5.724   5.401
  864   2HB   SER  65          2HB       SER  65   9.081   6.869   5.499
  865    HG   SER  65           HG       SER  65  11.765   7.251   5.912
  866    H    THR  66           H        THR  66   7.076   5.574   7.715
  867    HA   THR  66           HA       THR  66   7.172   2.683   7.286
  868    HB   THR  66           HB       THR  66   4.840   4.327   8.281
  869    HG1  THR  66           HG1      THR  66   6.695   4.466   9.683
  870   1HG2  THR  66          1HG2      THR  66   4.050   2.187   9.174
  871   2HG2  THR  66          2HG2      THR  66   5.454   1.377   8.480
  872   3HG2  THR  66          3HG2      THR  66   4.247   2.111   7.423
  873    H    LEU  67           H        LEU  67   6.915   2.092   5.253
  874    HA   LEU  67           HA       LEU  67   5.327   3.676   3.404
  875   1HB   LEU  67          1HB       LEU  67   6.782   1.073   2.923
  876   2HB   LEU  67          2HB       LEU  67   6.166   2.170   1.703
  877    HG   LEU  67           HG       LEU  67   8.329   2.970   3.643
  878   1HD1  LEU  67          1HD1      LEU  67   9.939   2.473   1.885
  879   2HD1  LEU  67          2HD1      LEU  67   8.649   1.828   0.870
  880   3HD1  LEU  67          3HD1      LEU  67   9.077   1.013   2.373
  881   1HD2  LEU  67          1HD2      LEU  67   7.065   4.756   2.484
  882   2HD2  LEU  67          2HD2      LEU  67   7.555   4.059   0.940
  883   3HD2  LEU  67          3HD2      LEU  67   8.771   4.712   2.037
  884    H    HIS  68           H        HIS  68   3.381   3.003   2.514
  885    HA   HIS  68           HA       HIS  68   2.063   0.860   3.988
  886   1HB   HIS  68          1HB       HIS  68   1.217   3.344   2.870
  887   2HB   HIS  68          2HB       HIS  68   0.295   2.051   2.110
  888    HD1  HIS  68           HD1      HIS  68  -0.358   0.166   4.292
  889    HD2  HIS  68           HD2      HIS  68  -0.256   4.279   4.915
  890    HE1  HIS  68           HE1      HIS  68  -1.790   0.586   6.313
  891    HE2  HIS  68           HE2      HIS  68  -1.832   3.085   6.583
  892    H    LEU  69           H        LEU  69   2.387  -1.083   3.193
  893    HA   LEU  69           HA       LEU  69   2.628  -1.524   0.326
  894   1HB   LEU  69          1HB       LEU  69   4.171  -2.666   1.877
  895   2HB   LEU  69          2HB       LEU  69   2.809  -3.463   2.640
  896    HG   LEU  69           HG       LEU  69   2.324  -4.505   0.367
  897   1HD1  LEU  69          1HD1      LEU  69   5.083  -3.431  -0.162
  898   2HD1  LEU  69          2HD1      LEU  69   3.601  -3.057  -1.044
  899   3HD1  LEU  69          3HD1      LEU  69   4.293  -4.678  -1.125
  900   1HD2  LEU  69          1HD2      LEU  69   4.902  -5.192   1.768
  901   2HD2  LEU  69          2HD2      LEU  69   4.006  -6.251   0.678
  902   3HD2  LEU  69          3HD2      LEU  69   3.291  -5.757   2.213
  903    H    VAL  70           H        VAL  70   0.492  -0.981  -0.256
  904    HA   VAL  70           HA       VAL  70  -1.722  -2.455   0.861
  905    HB   VAL  70           HB       VAL  70  -1.699  -0.661  -1.571
  906   1HG1  VAL  70          1HG1      VAL  70  -3.981  -1.515   0.206
  907   2HG1  VAL  70          2HG1      VAL  70  -3.639  -2.170  -1.395
  908   3HG1  VAL  70          3HG1      VAL  70  -4.087  -0.475  -1.214
  909   1HG2  VAL  70          1HG2      VAL  70  -2.288   0.019   1.309
  910   2HG2  VAL  70          2HG2      VAL  70  -2.509   1.099  -0.066
  911   3HG2  VAL  70          3HG2      VAL  70  -0.892   0.555   0.375
  912    H    LEU  71           H        LEU  71  -2.366  -4.388   0.204
  913    HA   LEU  71           HA       LEU  71  -1.177  -5.598  -2.116
  914   1HB   LEU  71          1HB       LEU  71  -2.865  -6.504   0.145
  915   2HB   LEU  71          2HB       LEU  71  -3.006  -7.416  -1.346
  916    HG   LEU  71           HG       LEU  71  -0.537  -7.769  -1.304
  917   1HD1  LEU  71          1HD1      LEU  71   0.773  -7.216   0.571
  918   2HD1  LEU  71          2HD1      LEU  71  -0.638  -6.775   1.530
  919   3HD1  LEU  71          3HD1      LEU  71  -0.129  -5.752   0.187
  920   1HD2  LEU  71          1HD2      LEU  71  -2.064  -9.472  -0.476
  921   2HD2  LEU  71          2HD2      LEU  71  -2.051  -8.722   1.121
  922   3HD2  LEU  71          3HD2      LEU  71  -0.577  -9.444   0.472
  923    H    ARG  72           H        ARG  72  -1.882  -4.839  -3.982
  924    HA   ARG  72           HA       ARG  72  -4.620  -4.080  -4.422
  925   1HB   ARG  72          1HB       ARG  72  -2.686  -2.914  -5.469
  926   2HB   ARG  72          2HB       ARG  72  -2.364  -4.360  -6.414
  927   1HG   ARG  72          1HG       ARG  72  -4.585  -4.140  -7.457
  928   2HG   ARG  72          2HG       ARG  72  -4.839  -2.647  -6.550
  929   1HD   ARG  72          1HD       ARG  72  -4.085  -2.214  -8.844
  930   2HD   ARG  72          2HD       ARG  72  -2.933  -1.628  -7.646
  931    HE   ARG  72           HE       ARG  72  -2.240  -4.244  -8.455
  932   1HH1  ARG  72          1HH1      ARG  72  -2.218  -0.933  -9.574
  933   2HH1  ARG  72          2HH1      ARG  72  -0.886  -1.172 -10.661
  934   1HH2  ARG  72          1HH2      ARG  72  -0.474  -4.570  -9.876
  935   2HH2  ARG  72          2HH2      ARG  72   0.105  -3.241 -10.830
  936    H    LEU  73           H        LEU  73  -5.399  -6.252  -3.789
  937    HA   LEU  73           HA       LEU  73  -5.090  -8.322  -5.813
  938   1HB   LEU  73          1HB       LEU  73  -6.231  -8.179  -3.062
  939   2HB   LEU  73          2HB       LEU  73  -6.847  -9.411  -4.149
  940    HG   LEU  73           HG       LEU  73  -3.891  -9.165  -3.788
  941   1HD1  LEU  73          1HD1      LEU  73  -4.826  -9.134  -1.508
  942   2HD1  LEU  73          2HD1      LEU  73  -3.952 -10.627  -1.856
  943   3HD1  LEU  73          3HD1      LEU  73  -5.717 -10.615  -1.870
  944   1HD2  LEU  73          1HD2      LEU  73  -4.032 -11.599  -4.140
  945   2HD2  LEU  73          2HD2      LEU  73  -4.752 -10.689  -5.466
  946   3HD2  LEU  73          3HD2      LEU  73  -5.785 -11.465  -4.268
  947    H    ARG  74           H        ARG  74  -6.611  -8.853  -7.284
  948    HA   ARG  74           HA       ARG  74  -8.817  -7.003  -7.614
  949   1HB   ARG  74          1HB       ARG  74  -7.922  -9.346  -9.309
  950   2HB   ARG  74          2HB       ARG  74  -9.239  -8.261  -9.726
  951   1HG   ARG  74          1HG       ARG  74  -7.534  -7.357 -10.954
  952   2HG   ARG  74          2HG       ARG  74  -7.396  -6.414  -9.469
  953   1HD   ARG  74          1HD       ARG  74  -5.622  -7.868  -8.680
  954   2HD   ARG  74          2HD       ARG  74  -5.800  -8.891 -10.104
  955    HE   ARG  74           HE       ARG  74  -5.269  -6.260 -10.931
  956   1HH1  ARG  74          1HH1      ARG  74  -3.699  -8.948  -9.340
  957   2HH1  ARG  74          2HH1      ARG  74  -2.108  -8.528  -9.923
  958   1HH2  ARG  74          1HH2      ARG  74  -3.171  -5.698 -11.688
  959   2HH2  ARG  74          2HH2      ARG  74  -1.809  -6.683 -11.236
  960    H    GLY  75           H        GLY  75 -10.310  -7.420  -6.057
  961   1HA   GLY  75          1HA       GLY  75 -11.915  -9.800  -6.437
  962   2HA   GLY  75          2HA       GLY  75 -11.131  -9.682  -4.867
  963    H    GLY  76           H        GLY  76 -13.708  -9.792  -4.633
  964   1HA   GLY  76          1HA       GLY  76 -15.292  -8.585  -3.398
  965   2HA   GLY  76          2HA       GLY  76 -14.432  -7.101  -3.796
  Start of MODEL    4
    1    H    GLY  63           H        GLY  63 -24.529  12.117  -5.483
    2   1HA   GLY  63          1HA       GLY  63 -21.776  12.059  -4.415
    3   2HA   GLY  63          2HA       GLY  63 -23.281  12.153  -3.509
    4    H    SER  64           H        SER  64 -22.128  10.301  -2.421
    5    HA   SER  64           HA       SER  64 -23.250   7.838  -3.430
    6   1HB   SER  64          1HB       SER  64 -21.047   7.862  -4.529
    7   2HB   SER  64          2HB       SER  64 -20.262   8.105  -2.971
    8    HG   SER  64           HG       SER  64 -20.706   5.833  -4.065
    9    H    GLN  65           H        GLN  65 -23.304   6.176  -1.807
   10    HA   GLN  65           HA       GLN  65 -23.694   7.208   0.819
   11   1HB   GLN  65          1HB       GLN  65 -23.578   4.341  -0.134
   12   2HB   GLN  65          2HB       GLN  65 -24.188   4.874   1.428
   13   1HG   GLN  65          1HG       GLN  65 -26.065   5.881   0.480
   14   2HG   GLN  65          2HG       GLN  65 -25.367   5.875  -1.137
   15   1HE2  GLN  65          1HE2      GLN  65 -27.017   4.028   1.283
   16   2HE2  GLN  65          2HE2      GLN  65 -27.365   2.657   0.286
   17    H    TRP  66           H        TRP  66 -21.090   5.629  -0.834
   18    HA   TRP  66           HA       TRP  66 -19.595   5.418   1.687
   19   1HB   TRP  66          1HB       TRP  66 -19.195   4.028  -0.968
   20   2HB   TRP  66          2HB       TRP  66 -18.068   3.911   0.379
   21    HD1  TRP  66           HD1      TRP  66 -19.435   3.028   2.788
   22    HE1  TRP  66           HE1      TRP  66 -21.006   0.996   2.960
   23    HE3  TRP  66           HE3      TRP  66 -20.697   2.552  -2.146
   24    HZ2  TRP  66           HZ2      TRP  66 -22.563  -0.595   1.243
   25    HZ3  TRP  66           HZ3      TRP  66 -22.234   0.741  -2.793
   26    HH2  TRP  66           HH2      TRP  66 -23.145  -0.798  -1.135
   27    H    GLN  67           H        GLN  67 -20.076   7.814  -0.041
   28    HA   GLN  67           HA       GLN  67 -17.717   8.498  -1.404
   29   1HB   GLN  67          1HB       GLN  67 -20.055   9.645  -1.420
   30   2HB   GLN  67          2HB       GLN  67 -19.411  10.580  -0.081
   31   1HG   GLN  67          1HG       GLN  67 -18.948  11.917  -1.898
   32   2HG   GLN  67          2HG       GLN  67 -17.428  11.060  -1.653
   33   1HE2  GLN  67          1HE2      GLN  67 -16.799   9.494  -3.132
   34   2HE2  GLN  67          2HE2      GLN  67 -17.536   9.337  -4.687
   35    HA   PRO  68           HA       PRO  68 -16.324  10.777   2.686
   36   1HB   PRO  68          1HB       PRO  68 -17.650   9.139   4.756
   37   2HB   PRO  68          2HB       PRO  68 -17.452  10.892   4.673
   38   1HG   PRO  68          1HG       PRO  68 -19.831   9.745   4.269
   39   2HG   PRO  68          2HG       PRO  68 -19.327  11.175   3.351
   40   1HD   PRO  68          1HD       PRO  68 -19.369   8.302   2.513
   41   2HD   PRO  68          2HD       PRO  68 -19.819   9.749   1.591
   42    H    GLN  69           H        GLN  69 -17.156   7.371   2.724
   43    HA   GLN  69           HA       GLN  69 -14.933   6.428   4.170
   44   1HB   GLN  69          1HB       GLN  69 -16.797   5.131   2.187
   45   2HB   GLN  69          2HB       GLN  69 -15.477   4.243   2.934
   46   1HG   GLN  69          1HG       GLN  69 -17.432   3.765   4.176
   47   2HG   GLN  69          2HG       GLN  69 -16.445   4.843   5.162
   48   1HE2  GLN  69          1HE2      GLN  69 -18.182   5.533   6.375
   49   2HE2  GLN  69          2HE2      GLN  69 -19.404   6.581   5.739
   50    H    LEU  70           H        LEU  70 -15.517   6.953   0.728
   51    HA   LEU  70           HA       LEU  70 -13.120   5.878  -0.258
   52   1HB   LEU  70          1HB       LEU  70 -14.901   8.078  -1.303
   53   2HB   LEU  70          2HB       LEU  70 -13.504   7.489  -2.183
   54    HG   LEU  70           HG       LEU  70 -15.885   5.806  -1.402
   55   1HD1  LEU  70          1HD1      LEU  70 -16.298   5.832  -3.879
   56   2HD1  LEU  70          2HD1      LEU  70 -15.131   7.150  -3.986
   57   3HD1  LEU  70          3HD1      LEU  70 -16.608   7.352  -3.044
   58   1HD2  LEU  70          1HD2      LEU  70 -14.088   4.334  -1.576
   59   2HD2  LEU  70          2HD2      LEU  70 -13.350   5.238  -2.896
   60   3HD2  LEU  70          3HD2      LEU  70 -14.813   4.296  -3.183
   61    H    GLN  71           H        GLN  71 -13.965   9.147   0.797
   62    HA   GLN  71           HA       GLN  71 -11.501  10.361   0.177
   63   1HB   GLN  71          1HB       GLN  71 -13.603  11.099   2.220
   64   2HB   GLN  71          2HB       GLN  71 -12.220  12.115   1.826
   65   1HG   GLN  71          1HG       GLN  71 -14.466  11.300   0.002
   66   2HG   GLN  71          2HG       GLN  71 -14.119  12.914   0.620
   67   1HE2  GLN  71          1HE2      GLN  71 -12.375  14.068  -0.235
   68   2HE2  GLN  71          2HE2      GLN  71 -11.640  13.637  -1.739
   69    H    GLN  72           H        GLN  72 -12.686   8.796   3.123
   70    HA   GLN  72           HA       GLN  72 -10.529   9.422   4.792
   71   1HB   GLN  72          1HB       GLN  72 -12.628   7.307   4.770
   72   2HB   GLN  72          2HB       GLN  72 -11.256   7.096   5.849
   73   1HG   GLN  72          1HG       GLN  72 -13.095   9.473   5.797
   74   2HG   GLN  72          2HG       GLN  72 -13.138   8.160   6.973
   75   1HE2  GLN  72          1HE2      GLN  72 -11.477  11.010   5.915
   76   2HE2  GLN  72          2HE2      GLN  72 -10.439  11.161   7.291
   77    H    LEU  73           H        LEU  73 -11.005   6.745   2.542
   78    HA   LEU  73           HA       LEU  73  -8.516   5.505   3.252
   79   1HB   LEU  73          1HB       LEU  73 -10.464   5.020   1.006
   80   2HB   LEU  73          2HB       LEU  73  -8.995   4.086   1.218
   81    HG   LEU  73           HG       LEU  73 -11.317   4.234   3.139
   82   1HD1  LEU  73          1HD1      LEU  73 -10.232   1.931   1.532
   83   2HD1  LEU  73          2HD1      LEU  73 -11.687   2.850   1.144
   84   3HD1  LEU  73          3HD1      LEU  73 -11.615   1.894   2.625
   85   1HD2  LEU  73          1HD2      LEU  73 -10.060   2.485   4.393
   86   2HD2  LEU  73          2HD2      LEU  73  -9.317   4.081   4.444
   87   3HD2  LEU  73          3HD2      LEU  73  -8.660   2.837   3.382
   88    H    ARG  74           H        ARG  74  -9.644   7.722   0.774
   89    HA   ARG  74           HA       ARG  74  -7.377   7.632  -0.898
   90   1HB   ARG  74          1HB       ARG  74  -9.569   9.608  -0.429
   91   2HB   ARG  74          2HB       ARG  74  -8.158  10.130  -1.336
   92   1HG   ARG  74          1HG       ARG  74  -8.530   8.473  -3.013
   93   2HG   ARG  74          2HG       ARG  74  -9.804   7.716  -2.052
   94   1HD   ARG  74          1HD       ARG  74 -11.225   9.619  -2.311
   95   2HD   ARG  74          2HD       ARG  74  -9.925  10.558  -3.045
   96    HE   ARG  74           HE       ARG  74 -10.146   8.521  -4.761
   97   1HH1  ARG  74          1HH1      ARG  74 -12.610  10.554  -3.305
   98   2HH1  ARG  74          2HH1      ARG  74 -13.669  10.448  -4.681
   99   1HH2  ARG  74          1HH2      ARG  74 -11.551   8.404  -6.558
  100   2HH2  ARG  74          2HH2      ARG  74 -13.075   9.232  -6.510
  101    H    ASP  75           H        ASP  75  -8.124   9.399   2.027
  102    HA   ASP  75           HA       ASP  75  -5.995  11.221   2.046
  103   1HB   ASP  75          1HB       ASP  75  -7.887  11.447   3.561
  104   2HB   ASP  75          2HB       ASP  75  -7.462   9.941   4.363
  105    H    MET  76           H        MET  76  -6.186   7.881   3.197
  106    HA   MET  76           HA       MET  76  -3.566   7.970   4.350
  107   1HB   MET  76          1HB       MET  76  -3.854   5.727   4.956
  108   2HB   MET  76          2HB       MET  76  -5.468   6.407   5.047
  109   1HG   MET  76          1HG       MET  76  -5.950   5.459   2.819
  110   2HG   MET  76          2HG       MET  76  -4.357   4.708   2.829
  111   1HE   MET  76          1HE       MET  76  -3.909   3.550   5.704
  112   2HE   MET  76          2HE       MET  76  -3.670   2.687   4.184
  113   3HE   MET  76          3HE       MET  76  -4.611   1.947   5.477
  114    H    GLY  77           H        GLY  77  -4.892   7.172   1.231
  115   1HA   GLY  77          1HA       GLY  77  -3.033   7.552  -0.476
  116   2HA   GLY  77          2HA       GLY  77  -2.227   6.254   0.383
  117    H    ILE  78           H        ILE  78  -5.606   5.785   0.210
  118    HA   ILE  78           HA       ILE  78  -5.185   3.634  -1.684
  119    HB   ILE  78           HB       ILE  78  -7.779   4.475  -0.374
  120   1HG1  ILE  78          1HG1      ILE  78  -6.112   3.849   1.318
  121   2HG1  ILE  78          2HG1      ILE  78  -7.381   2.636   1.212
  122   1HG2  ILE  78          1HG2      ILE  78  -8.542   2.222  -0.945
  123   2HG2  ILE  78          2HG2      ILE  78  -7.000   1.900  -1.739
  124   3HG2  ILE  78          3HG2      ILE  78  -8.084   3.130  -2.388
  125   1HD1  ILE  78          1HD1      ILE  78  -4.582   2.459   0.136
  126   2HD1  ILE  78          2HD1      ILE  78  -5.851   1.290  -0.229
  127   3HD1  ILE  78          3HD1      ILE  78  -5.307   1.510   1.435
  128    H    GLN  79           H        GLN  79  -4.635   4.896  -3.500
  129    HA   GLN  79           HA       GLN  79  -6.275   6.864  -4.652
  130   1HB   GLN  79          1HB       GLN  79  -4.092   6.854  -5.446
  131   2HB   GLN  79          2HB       GLN  79  -4.055   5.107  -5.621
  132   1HG   GLN  79          1HG       GLN  79  -5.925   5.691  -7.445
  133   2HG   GLN  79          2HG       GLN  79  -4.985   7.183  -7.493
  134   1HE2  GLN  79          1HE2      GLN  79  -2.472   5.983  -6.866
  135   2HE2  GLN  79          2HE2      GLN  79  -1.980   5.077  -8.257
  136    H    ASP  80           H        ASP  80  -6.225   3.378  -4.912
  137    HA   ASP  80           HA       ASP  80  -8.027   3.200  -7.113
  138   1HB   ASP  80          1HB       ASP  80  -7.128   1.162  -5.070
  139   2HB   ASP  80          2HB       ASP  80  -8.211   0.782  -6.404
  140    H    ASP  81           H        ASP  81  -9.750   4.556  -6.473
  141    HA   ASP  81           HA       ASP  81 -11.294   4.007  -4.134
  142   1HB   ASP  81          1HB       ASP  81 -12.843   5.658  -4.948
  143   2HB   ASP  81          2HB       ASP  81 -11.211   6.245  -5.248
  144    H    GLU  82           H        GLU  82 -11.141   2.758  -7.313
  145    HA   GLU  82           HA       GLU  82 -13.747   1.742  -7.602
  146   1HB   GLU  82          1HB       GLU  82 -12.048   1.909  -9.421
  147   2HB   GLU  82          2HB       GLU  82 -11.169   0.580  -8.678
  148   1HG   GLU  82          1HG       GLU  82 -13.921  -0.138  -9.092
  149   2HG   GLU  82          2HG       GLU  82 -13.190   0.432 -10.592
  150    H    LEU  83           H        LEU  83 -10.774   0.197  -6.418
  151    HA   LEU  83           HA       LEU  83 -12.042  -2.224  -5.653
  152   1HB   LEU  83          1HB       LEU  83  -9.450  -1.382  -5.942
  153   2HB   LEU  83          2HB       LEU  83  -9.599  -1.472  -4.199
  154    HG   LEU  83           HG       LEU  83  -8.684  -3.528  -5.358
  155   1HD1  LEU  83          1HD1      LEU  83  -9.471  -3.633  -3.083
  156   2HD1  LEU  83          2HD1      LEU  83  -9.969  -5.085  -3.949
  157   3HD1  LEU  83          3HD1      LEU  83 -11.138  -3.803  -3.635
  158   1HD2  LEU  83          1HD2      LEU  83 -10.046  -4.944  -6.592
  159   2HD2  LEU  83          2HD2      LEU  83 -10.494  -3.347  -7.192
  160   3HD2  LEU  83          3HD2      LEU  83 -11.528  -4.174  -6.028
  161    H    SER  84           H        SER  84 -11.391   0.822  -4.080
  162    HA   SER  84           HA       SER  84 -11.904   0.070  -1.425
  163   1HB   SER  84          1HB       SER  84 -10.847   2.193  -1.916
  164   2HB   SER  84          2HB       SER  84 -12.253   2.728  -2.832
  165    HG   SER  84           HG       SER  84 -12.638   1.972  -0.173
  166    H    LEU  85           H        LEU  85 -14.060   1.453  -3.901
  167    HA   LEU  85           HA       LEU  85 -16.386   1.529  -2.364
  168   1HB   LEU  85          1HB       LEU  85 -15.756   2.328  -4.837
  169   2HB   LEU  85          2HB       LEU  85 -16.602   0.851  -5.249
  170    HG   LEU  85           HG       LEU  85 -17.977   2.963  -5.307
  171   1HD1  LEU  85          1HD1      LEU  85 -19.928   1.935  -4.206
  172   2HD1  LEU  85          2HD1      LEU  85 -18.859   0.725  -3.497
  173   3HD1  LEU  85          3HD1      LEU  85 -19.050   0.814  -5.247
  174   1HD2  LEU  85          1HD2      LEU  85 -17.990   2.744  -2.312
  175   2HD2  LEU  85          2HD2      LEU  85 -18.687   4.008  -3.327
  176   3HD2  LEU  85          3HD2      LEU  85 -16.935   3.860  -3.182
  177    H    ARG  86           H        ARG  86 -15.072  -1.049  -4.403
  178    HA   ARG  86           HA       ARG  86 -17.214  -2.851  -4.108
  179   1HB   ARG  86          1HB       ARG  86 -14.299  -3.283  -4.738
  180   2HB   ARG  86          2HB       ARG  86 -15.490  -4.579  -4.759
  181   1HG   ARG  86          1HG       ARG  86 -16.653  -3.625  -6.562
  182   2HG   ARG  86          2HG       ARG  86 -15.819  -2.082  -6.385
  183   1HD   ARG  86          1HD       ARG  86 -14.897  -3.200  -8.275
  184   2HD   ARG  86          2HD       ARG  86 -13.699  -3.238  -6.981
  185    HE   ARG  86           HE       ARG  86 -15.174  -5.598  -6.812
  186   1HH1  ARG  86          1HH1      ARG  86 -13.043  -4.010  -9.106
  187   2HH1  ARG  86          2HH1      ARG  86 -12.434  -5.506  -9.757
  188   1HH2  ARG  86          1HH2      ARG  86 -14.385  -7.559  -7.695
  189   2HH2  ARG  86          2HH2      ARG  86 -13.177  -7.521  -8.942
  190    H    ALA  87           H        ALA  87 -14.283  -2.330  -2.208
  191    HA   ALA  87           HA       ALA  87 -14.633  -4.547  -0.470
  192   1HB   ALA  87          1HB       ALA  87 -13.162  -1.964   0.059
  193   2HB   ALA  87          2HB       ALA  87 -12.481  -3.375  -0.751
  194   3HB   ALA  87          3HB       ALA  87 -12.970  -3.480   0.940
  195    H    LEU  88           H        LEU  88 -15.617  -1.160  -0.350
  196    HA   LEU  88           HA       LEU  88 -16.735  -1.224   2.249
  197   1HB   LEU  88          1HB       LEU  88 -16.795   0.595  -0.075
  198   2HB   LEU  88          2HB       LEU  88 -18.188   0.699   0.981
  199    HG   LEU  88           HG       LEU  88 -16.525   2.372   1.577
  200   1HD1  LEU  88          1HD1      LEU  88 -16.672   0.189   3.649
  201   2HD1  LEU  88          2HD1      LEU  88 -17.909   1.410   3.354
  202   3HD1  LEU  88          3HD1      LEU  88 -16.319   1.891   3.944
  203   1HD2  LEU  88          1HD2      LEU  88 -14.676   0.051   2.104
  204   2HD2  LEU  88          2HD2      LEU  88 -14.340   1.747   2.447
  205   3HD2  LEU  88          3HD2      LEU  88 -14.531   1.206   0.780
  206    H    GLN  89           H        GLN  89 -17.995  -1.896  -0.952
  207    HA   GLN  89           HA       GLN  89 -20.712  -2.196  -0.243
  208   1HB   GLN  89          1HB       GLN  89 -20.560  -2.016  -2.507
  209   2HB   GLN  89          2HB       GLN  89 -18.989  -2.799  -2.565
  210   1HG   GLN  89          1HG       GLN  89 -20.349  -4.960  -2.049
  211   2HG   GLN  89          2HG       GLN  89 -21.713  -4.010  -2.645
  212   1HE2  GLN  89          1HE2      GLN  89 -18.640  -5.451  -3.465
  213   2HE2  GLN  89          2HE2      GLN  89 -18.839  -5.370  -5.181
  214    H    ALA  90           H        ALA  90 -18.006  -4.458  -0.423
  215    HA   ALA  90           HA       ALA  90 -19.487  -6.811   0.085
  216   1HB   ALA  90          1HB       ALA  90 -16.572  -6.271   0.640
  217   2HB   ALA  90          2HB       ALA  90 -17.237  -6.803  -0.904
  218   3HB   ALA  90          3HB       ALA  90 -17.337  -7.854   0.508
  219    H    THR  91           H        THR  91 -17.820  -4.534   2.203
  220    HA   THR  91           HA       THR  91 -18.328  -6.087   4.567
  221    HB   THR  91           HB       THR  91 -17.504  -3.995   5.747
  222    HG1  THR  91           HG1      THR  91 -16.609  -3.130   3.212
  223   1HG2  THR  91          1HG2      THR  91 -16.024  -5.875   5.214
  224   2HG2  THR  91          2HG2      THR  91 -15.180  -4.334   5.054
  225   3HG2  THR  91          3HG2      THR  91 -15.731  -5.191   3.616
  226    H    GLY  92           H        GLY  92 -19.932  -3.562   2.817
  227   1HA   GLY  92          1HA       GLY  92 -22.277  -3.178   3.100
  228   2HA   GLY  92          2HA       GLY  92 -22.112  -3.631   4.793
  229    H    GLY  93           H        GLY  93 -19.551  -1.964   4.757
  230   1HA   GLY  93          1HA       GLY  93 -19.556   0.599   4.282
  231   2HA   GLY  93          2HA       GLY  93 -20.890   0.556   5.425
  232    H    ASP  94           H        ASP  94 -17.758  -1.135   5.346
  233    HA   ASP  94           HA       ASP  94 -17.143   0.109   7.944
  234   1HB   ASP  94          1HB       ASP  94 -17.859  -2.379   7.964
  235   2HB   ASP  94          2HB       ASP  94 -16.279  -2.687   7.255
  236    H    ILE  95           H        ILE  95 -15.162   0.997   8.103
  237    HA   ILE  95           HA       ILE  95 -13.505   1.045   5.736
  238    HB   ILE  95           HB       ILE  95 -13.434   2.510   8.357
  239   1HG1  ILE  95          1HG1      ILE  95 -14.976   3.289   6.597
  240   2HG1  ILE  95          2HG1      ILE  95 -13.717   4.473   6.932
  241   1HG2  ILE  95          1HG2      ILE  95 -11.297   2.553   6.231
  242   2HG2  ILE  95          2HG2      ILE  95 -11.113   2.073   7.917
  243   3HG2  ILE  95          3HG2      ILE  95 -11.453   3.755   7.512
  244   1HD1  ILE  95          1HD1      ILE  95 -14.001   4.403   4.589
  245   2HD1  ILE  95          2HD1      ILE  95 -13.933   2.642   4.561
  246   3HD1  ILE  95          3HD1      ILE  95 -12.485   3.572   4.942
  247    H    GLN  96           H        GLN  96 -13.111   0.025   9.120
  248    HA   GLN  96           HA       GLN  96 -10.444  -0.825   8.864
  249   1HB   GLN  96          1HB       GLN  96 -12.568  -1.022  10.854
  250   2HB   GLN  96          2HB       GLN  96 -11.507  -2.421  10.847
  251   1HG   GLN  96          1HG       GLN  96 -10.557   0.424  11.027
  252   2HG   GLN  96          2HG       GLN  96 -10.829  -0.628  12.415
  253   1HE2  GLN  96          1HE2      GLN  96  -9.852  -3.021  11.171
  254   2HE2  GLN  96          2HE2      GLN  96  -8.139  -2.861  11.039
  255    H    ALA  97           H        ALA  97 -13.507  -2.615   8.590
  256    HA   ALA  97           HA       ALA  97 -12.259  -5.117   8.088
  257   1HB   ALA  97          1HB       ALA  97 -14.544  -5.015   8.884
  258   2HB   ALA  97          2HB       ALA  97 -14.482  -5.854   7.334
  259   3HB   ALA  97          3HB       ALA  97 -15.044  -4.186   7.412
  260    H    ALA  98           H        ALA  98 -13.070  -2.390   6.079
  261    HA   ALA  98           HA       ALA  98 -13.030  -3.659   3.562
  262   1HB   ALA  98          1HB       ALA  98 -13.891  -1.390   3.852
  263   2HB   ALA  98          2HB       ALA  98 -12.616  -1.432   2.632
  264   3HB   ALA  98          3HB       ALA  98 -12.270  -0.820   4.250
  265    H    LEU  99           H        LEU  99 -10.509  -2.279   5.591
  266    HA   LEU  99           HA       LEU  99  -8.373  -2.500   3.774
  267   1HB   LEU  99          1HB       LEU  99  -8.342  -2.674   6.791
  268   2HB   LEU  99          2HB       LEU  99  -6.931  -2.426   5.781
  269    HG   LEU  99           HG       LEU  99  -9.255  -0.503   5.900
  270   1HD1  LEU  99          1HD1      LEU  99  -6.610  -0.379   7.344
  271   2HD1  LEU  99          2HD1      LEU  99  -8.184  -0.655   8.087
  272   3HD1  LEU  99          3HD1      LEU  99  -7.836   0.888   7.312
  273   1HD2  LEU  99          1HD2      LEU  99  -7.668   1.042   4.860
  274   2HD2  LEU  99          2HD2      LEU  99  -7.942  -0.382   3.855
  275   3HD2  LEU  99          3HD2      LEU  99  -6.459  -0.241   4.800
  276    H    GLU 100           H        GLU 100  -9.722  -4.715   6.153
  277    HA   GLU 100           HA       GLU 100  -7.811  -6.776   5.746
  278   1HB   GLU 100          1HB       GLU 100 -10.625  -7.009   6.825
  279   2HB   GLU 100          2HB       GLU 100  -9.317  -8.162   7.049
  280   1HG   GLU 100          1HG       GLU 100  -8.049  -6.380   8.246
  281   2HG   GLU 100          2HG       GLU 100  -9.497  -5.376   8.162
  282    H    LEU 101           H        LEU 101 -10.906  -5.960   4.319
  283    HA   LEU 101           HA       LEU 101 -11.329  -8.352   2.887
  284   1HB   LEU 101          1HB       LEU 101 -12.461  -5.661   2.959
  285   2HB   LEU 101          2HB       LEU 101 -12.491  -6.365   1.357
  286    HG   LEU 101           HG       LEU 101 -14.573  -6.705   2.722
  287   1HD1  LEU 101          1HD1      LEU 101 -14.127  -8.087   0.805
  288   2HD1  LEU 101          2HD1      LEU 101 -14.815  -9.074   2.093
  289   3HD1  LEU 101          3HD1      LEU 101 -13.085  -9.139   1.761
  290   1HD2  LEU 101          1HD2      LEU 101 -13.398  -7.113   4.875
  291   2HD2  LEU 101          2HD2      LEU 101 -12.875  -8.675   4.246
  292   3HD2  LEU 101          3HD2      LEU 101 -14.592  -8.346   4.470
  293    H    ILE 102           H        ILE 102  -9.658  -5.343   2.055
  294    HA   ILE 102           HA       ILE 102  -9.061  -6.105  -0.625
  295    HB   ILE 102           HB       ILE 102  -7.705  -4.057   1.145
  296   1HG1  ILE 102          1HG1      ILE 102  -9.808  -3.717  -1.008
  297   2HG1  ILE 102          2HG1      ILE 102 -10.113  -3.648   0.724
  298   1HG2  ILE 102          1HG2      ILE 102  -6.227  -4.702  -0.654
  299   2HG2  ILE 102          2HG2      ILE 102  -6.880  -3.096  -0.982
  300   3HG2  ILE 102          3HG2      ILE 102  -7.524  -4.500  -1.832
  301   1HD1  ILE 102          1HD1      ILE 102  -8.352  -1.762  -0.825
  302   2HD1  ILE 102          2HD1      ILE 102  -8.679  -1.690   0.906
  303   3HD1  ILE 102          3HD1      ILE 102  -9.984  -1.426  -0.249
  304    H    PHE 103           H        PHE 103  -7.380  -6.353   2.462
  305    HA   PHE 103           HA       PHE 103  -4.917  -7.319   1.491
  306   1HB   PHE 103          1HB       PHE 103  -5.388  -6.438   3.813
  307   2HB   PHE 103          2HB       PHE 103  -6.168  -7.974   4.166
  308    HD1  PHE 103           HD1      PHE 103  -2.956  -6.813   2.652
  309    HD2  PHE 103           HD2      PHE 103  -4.903  -9.463   5.352
  310    HE1  PHE 103           HE1      PHE 103  -0.777  -7.765   3.283
  311    HE2  PHE 103           HE2      PHE 103  -2.729 -10.420   5.986
  312    HZ   PHE 103           HZ       PHE 103  -0.661  -9.572   4.950
  313    H    ALA 104           H        ALA 104  -7.969  -8.860   2.125
  314    HA   ALA 104           HA       ALA 104  -6.906 -11.539   1.846
  315   1HB   ALA 104          1HB       ALA 104  -9.296 -12.216   2.017
  316   2HB   ALA 104          2HB       ALA 104  -9.728 -10.510   2.116
  317   3HB   ALA 104          3HB       ALA 104  -8.737 -11.242   3.375
  318    H    GLY 105           H        GLY 105  -8.795  -9.229  -0.018
  319   1HA   GLY 105          1HA       GLY 105  -8.537  -9.084  -2.398
  320   2HA   GLY 105          2HA       GLY 105  -8.216 -10.811  -2.430
  321    H    GLY 106           H        GLY 106 -10.817  -9.219  -0.671
  322   1HA   GLY 106          1HA       GLY 106 -13.094  -9.111  -1.186
  323   2HA   GLY 106          2HA       GLY 106 -12.777  -9.993  -2.674
  324    H    ALA 107           H        ALA 107 -12.654 -12.269  -2.618
  325    HA   ALA 107           HA       ALA 107 -13.396 -13.561  -0.100
  326   1HB   ALA 107          1HB       ALA 107 -15.492 -13.074  -1.311
  327   2HB   ALA 107          2HB       ALA 107 -15.202 -14.805  -1.124
  328   3HB   ALA 107          3HB       ALA 107 -14.897 -14.021  -2.674
  329    HA   PRO 108           HA       PRO 108 -10.001 -15.838  -2.260
  330   1HB   PRO 108          1HB       PRO 108  -9.382 -16.570   0.529
  331   2HB   PRO 108          2HB       PRO 108  -8.329 -15.870  -0.703
  332   1HG   PRO 108          1HG       PRO 108  -9.197 -14.441   1.401
  333   2HG   PRO 108          2HG       PRO 108  -8.950 -13.705  -0.193
  334   1HD   PRO 108          1HD       PRO 108 -11.492 -14.527   1.145
  335   2HD   PRO 108          2HD       PRO 108 -11.156 -13.114   0.125
  336   1H    MET   1          1H        MET   1  18.969   0.766   4.035
  337   2H    MET   1          2H        MET   1  20.011  -0.031   5.103
  338   3H    MET   1          3H        MET   1  20.280   1.592   4.716
  339    HA   MET   1           HA       MET   1  19.299   1.250   6.930
  340   1HB   MET   1          1HB       MET   1  17.633   3.013   6.709
  341   2HB   MET   1          2HB       MET   1  19.035   3.374   5.720
  342   1HG   MET   1          1HG       MET   1  17.619   2.223   3.839
  343   2HG   MET   1          2HG       MET   1  16.276   2.639   4.901
  344   1HE   MET   1          1HE       MET   1  15.914   5.427   2.239
  345   2HE   MET   1          2HE       MET   1  15.141   4.097   3.105
  346   3HE   MET   1          3HE       MET   1  16.410   3.763   1.925
  347    H    GLN   2           H        GLN   2  17.713   0.399   8.185
  348    HA   GLN   2           HA       GLN   2  15.998  -1.588   6.943
  349   1HB   GLN   2          1HB       GLN   2  17.069  -2.377   8.894
  350   2HB   GLN   2          2HB       GLN   2  16.726  -0.903   9.786
  351   1HG   GLN   2          1HG       GLN   2  14.239  -1.635   9.441
  352   2HG   GLN   2          2HG       GLN   2  14.962  -3.227   9.206
  353   1HE2  GLN   2          1HE2      GLN   2  14.497  -0.592  11.446
  354   2HE2  GLN   2          2HE2      GLN   2  14.883  -1.482  12.877
  355    H    ILE   3           H        ILE   3  14.172  -0.810   6.075
  356    HA   ILE   3           HA       ILE   3  12.768   1.373   7.440
  357    HB   ILE   3           HB       ILE   3  11.443   1.630   5.415
  358   1HG1  ILE   3          1HG1      ILE   3  13.129  -0.533   4.153
  359   2HG1  ILE   3          2HG1      ILE   3  11.530  -0.842   4.824
  360   1HG2  ILE   3          1HG2      ILE   3  13.219   2.362   3.892
  361   2HG2  ILE   3          2HG2      ILE   3  14.396   1.459   4.845
  362   3HG2  ILE   3          3HG2      ILE   3  13.547   2.830   5.560
  363   1HD1  ILE   3          1HD1      ILE   3  10.563   0.749   3.252
  364   2HD1  ILE   3          2HD1      ILE   3  11.436  -0.537   2.419
  365   3HD1  ILE   3          3HD1      ILE   3  12.165   1.061   2.581
  366    H    PHE   4           H        PHE   4  10.340   1.226   7.353
  367    HA   PHE   4           HA       PHE   4   9.508  -1.495   8.112
  368   1HB   PHE   4          1HB       PHE   4   8.340   1.112   9.112
  369   2HB   PHE   4          2HB       PHE   4   7.960  -0.510   9.687
  370    HD1  PHE   4           HD1      PHE   4  10.113   2.337  10.033
  371    HD2  PHE   4           HD2      PHE   4   9.768  -1.826  10.853
  372    HE1  PHE   4           HE1      PHE   4  11.894   2.526  11.719
  373    HE2  PHE   4           HE2      PHE   4  11.548  -1.643  12.540
  374    HZ   PHE   4           HZ       PHE   4  12.613   0.534  12.974
  375    H    VAL   5           H        VAL   5   8.085  -2.381   6.775
  376    HA   VAL   5           HA       VAL   5   6.423  -0.575   5.144
  377    HB   VAL   5           HB       VAL   5   7.001  -3.435   4.411
  378   1HG1  VAL   5          1HG1      VAL   5   6.375  -2.741   2.199
  379   2HG1  VAL   5          2HG1      VAL   5   6.281  -1.056   2.709
  380   3HG1  VAL   5          3HG1      VAL   5   5.121  -2.229   3.331
  381   1HG2  VAL   5          1HG2      VAL   5   8.780  -2.597   2.913
  382   2HG2  VAL   5          2HG2      VAL   5   9.169  -2.386   4.621
  383   3HG2  VAL   5          3HG2      VAL   5   8.627  -1.008   3.662
  384    H    LYS   6           H        LYS   6   4.518  -0.416   6.099
  385    HA   LYS   6           HA       LYS   6   3.326  -2.739   7.410
  386   1HB   LYS   6          1HB       LYS   6   3.382  -0.483   8.525
  387   2HB   LYS   6          2HB       LYS   6   2.288   0.096   7.279
  388   1HG   LYS   6          1HG       LYS   6   0.632  -1.592   7.999
  389   2HG   LYS   6          2HG       LYS   6   1.723  -2.058   9.306
  390   1HD   LYS   6          2HD       LYS   6   1.637   0.249  10.167
  391   2HD   LYS   6          1HD       LYS   6   0.496   0.668   8.888
  392   1HE   LYS   6          2HE       LYS   6  -1.071  -1.014   9.763
  393   2HE   LYS   6          1HE       LYS   6   0.065  -1.378  11.061
  394   1HZ   LYS   6          1HZ       LYS   6  -0.147   0.906  11.830
  395   2HZ   LYS   6          2HZ       LYS   6  -1.650   0.138  11.802
  396   3HZ   LYS   6          3HZ       LYS   6  -1.245   1.245  10.588
  397    H    THR   7           H        THR   7   1.751  -3.891   6.496
  398    HA   THR   7           HA       THR   7   1.032  -3.511   3.798
  399    HB   THR   7           HB       THR   7  -0.759  -5.263   4.352
  400    HG1  THR   7           HG1      THR   7   0.729  -5.505   6.760
  401   1HG2  THR   7          1HG2      THR   7   2.148  -5.847   4.930
  402   2HG2  THR   7          2HG2      THR   7   1.376  -5.856   3.343
  403   3HG2  THR   7          3HG2      THR   7   0.920  -7.055   4.552
  404    H    LEU   8           H        LEU   8  -1.541  -3.975   6.130
  405    HA   LEU   8           HA       LEU   8  -2.685  -1.364   5.466
  406   1HB   LEU   8          1HB       LEU   8  -4.033  -4.023   5.016
  407   2HB   LEU   8          2HB       LEU   8  -4.919  -2.514   5.125
  408    HG   LEU   8           HG       LEU   8  -2.751  -3.003   3.085
  409   1HD1  LEU   8          1HD1      LEU   8  -5.734  -3.291   2.759
  410   2HD1  LEU   8          2HD1      LEU   8  -4.568  -4.614   2.767
  411   3HD1  LEU   8          3HD1      LEU   8  -4.529  -3.412   1.477
  412   1HD2  LEU   8          1HD2      LEU   8  -3.254  -0.654   3.590
  413   2HD2  LEU   8          2HD2      LEU   8  -4.955  -0.948   3.234
  414   3HD2  LEU   8          3HD2      LEU   8  -3.750  -1.095   1.957
  415    H    THR   9           H        THR   9  -3.720  -4.360   7.096
  416    HA   THR   9           HA       THR   9  -4.999  -2.982   9.202
  417    HB   THR   9           HB       THR   9  -4.182  -5.747   9.756
  418    HG1  THR   9           HG1      THR   9  -5.069  -6.640   7.987
  419   1HG2  THR   9          1HG2      THR   9  -6.863  -4.378   9.486
  420   2HG2  THR   9          2HG2      THR   9  -5.959  -4.589  10.986
  421   3HG2  THR   9          3HG2      THR   9  -6.593  -5.997  10.131
  422    H    GLY  10           H        GLY  10  -2.223  -5.244   9.546
  423   1HA   GLY  10          1HA       GLY  10  -0.888  -3.298  11.249
  424   2HA   GLY  10          2HA       GLY  10  -1.469  -4.736  12.065
  425    H    LYS  11           H        LYS  11  -0.782  -6.139   9.331
  426    HA   LYS  11           HA       LYS  11   1.630  -7.268  10.188
  427   1HB   LYS  11          1HB       LYS  11   0.017  -8.312   8.585
  428   2HB   LYS  11          2HB       LYS  11   0.594  -7.200   7.350
  429   1HG   LYS  11          1HG       LYS  11   2.870  -8.143   7.648
  430   2HG   LYS  11          2HG       LYS  11   2.188  -9.333   8.755
  431   1HD   LYS  11          2HD       LYS  11   0.563  -9.774   6.728
  432   2HD   LYS  11          1HD       LYS  11   1.896  -9.082   5.804
  433   1HE   LYS  11          2HE       LYS  11   2.082 -11.431   7.687
  434   2HE   LYS  11          1HE       LYS  11   2.058 -11.520   5.928
  435   1HZ   LYS  11          1HZ       LYS  11   4.135 -10.017   7.415
  436   2HZ   LYS  11          2HZ       LYS  11   4.158 -10.493   5.787
  437   3HZ   LYS  11          3HZ       LYS  11   4.304 -11.650   7.013
  438    H    THR  12           H        THR  12   3.455  -6.196  10.417
  439    HA   THR  12           HA       THR  12   4.249  -4.273   8.332
  440    HB   THR  12           HB       THR  12   5.310  -4.287  11.150
  441    HG1  THR  12           HG1      THR  12   2.866  -3.986  10.800
  442   1HG2  THR  12          1HG2      THR  12   5.769  -1.912  10.642
  443   2HG2  THR  12          2HG2      THR  12   5.138  -2.155   9.013
  444   3HG2  THR  12          3HG2      THR  12   6.595  -3.005   9.531
  445    H    ILE  13           H        ILE  13   5.968  -4.816   7.158
  446    HA   ILE  13           HA       ILE  13   7.709  -6.958   8.188
  447    HB   ILE  13           HB       ILE  13   8.311  -7.459   5.898
  448   1HG1  ILE  13          1HG1      ILE  13   6.342  -5.356   4.986
  449   2HG1  ILE  13          2HG1      ILE  13   8.071  -5.045   5.115
  450   1HG2  ILE  13          1HG2      ILE  13   6.353  -8.565   6.760
  451   2HG2  ILE  13          2HG2      ILE  13   6.109  -8.202   5.053
  452   3HG2  ILE  13          3HG2      ILE  13   5.334  -7.208   6.286
  453   1HD1  ILE  13          1HD1      ILE  13   7.380  -5.578   2.832
  454   2HD1  ILE  13          2HD1      ILE  13   6.806  -7.153   3.380
  455   3HD1  ILE  13          3HD1      ILE  13   8.524  -6.761   3.468
  456    H    THR  14           H        THR  14   9.954  -6.747   8.031
  457    HA   THR  14           HA       THR  14  10.869  -3.971   7.884
  458    HB   THR  14           HB       THR  14  12.988  -5.626   8.722
  459    HG1  THR  14           HG1      THR  14  10.535  -6.278  10.039
  460   1HG2  THR  14          1HG2      THR  14  12.712  -4.459  10.843
  461   2HG2  THR  14          2HG2      THR  14  11.075  -3.982  10.386
  462   3HG2  THR  14          3HG2      THR  14  12.460  -3.342   9.501
  463    H    LEU  15           H        LEU  15  12.285  -3.305   6.326
  464    HA   LEU  15           HA       LEU  15  13.450  -5.368   4.590
  465   1HB   LEU  15          1HB       LEU  15  11.263  -4.132   3.767
  466   2HB   LEU  15          2HB       LEU  15  12.405  -2.867   3.355
  467    HG   LEU  15           HG       LEU  15  13.668  -4.539   1.988
  468   1HD1  LEU  15          1HD1      LEU  15  12.263  -6.550   1.312
  469   2HD1  LEU  15          2HD1      LEU  15  11.324  -6.244   2.772
  470   3HD1  LEU  15          3HD1      LEU  15  13.044  -6.614   2.891
  471   1HD2  LEU  15          1HD2      LEU  15  12.128  -2.959   0.972
  472   2HD2  LEU  15          2HD2      LEU  15  10.783  -4.065   1.261
  473   3HD2  LEU  15          3HD2      LEU  15  12.067  -4.512   0.138
  474    H    GLU  16           H        GLU  16  15.524  -5.052   4.144
  475    HA   GLU  16           HA       GLU  16  16.750  -2.537   4.980
  476   1HB   GLU  16          1HB       GLU  16  18.019  -5.165   4.184
  477   2HB   GLU  16          2HB       GLU  16  18.883  -3.755   4.783
  478   1HG   GLU  16          1HG       GLU  16  17.453  -3.948   6.867
  479   2HG   GLU  16          2HG       GLU  16  16.981  -5.536   6.265
  480    H    VAL  17           H        VAL  17  16.637  -1.063   3.444
  481    HA   VAL  17           HA       VAL  17  17.571  -1.774   0.743
  482    HB   VAL  17           HB       VAL  17  15.998  -0.014  -0.132
  483   1HG1  VAL  17          1HG1      VAL  17  14.826  -2.467   1.164
  484   2HG1  VAL  17          2HG1      VAL  17  15.460  -2.320  -0.475
  485   3HG1  VAL  17          3HG1      VAL  17  13.984  -1.468  -0.022
  486   1HG2  VAL  17          1HG2      VAL  17  15.560   1.159   1.953
  487   2HG2  VAL  17          2HG2      VAL  17  14.773  -0.275   2.613
  488   3HG2  VAL  17          3HG2      VAL  17  14.054   0.574   1.244
  489    H    GLU  18           H        GLU  18  18.427   0.053  -0.469
  490    HA   GLU  18           HA       GLU  18  19.693   2.014   1.322
  491   1HB   GLU  18          1HB       GLU  18  20.532   0.876  -1.345
  492   2HB   GLU  18          2HB       GLU  18  21.302   2.290  -0.637
  493   1HG   GLU  18          1HG       GLU  18  21.153  -0.430   0.649
  494   2HG   GLU  18          2HG       GLU  18  22.546   0.207  -0.225
  495    HA   PRO  19           HA       PRO  19  17.333   5.316  -0.384
  496   1HB   PRO  19          1HB       PRO  19  19.861   6.831  -0.708
  497   2HB   PRO  19          2HB       PRO  19  18.397   7.261   0.180
  498   1HG   PRO  19          1HG       PRO  19  20.601   6.504   1.467
  499   2HG   PRO  19          2HG       PRO  19  18.996   6.007   2.035
  500   1HD   PRO  19          1HD       PRO  19  21.050   4.437   0.534
  501   2HD   PRO  19          2HD       PRO  19  19.966   3.919   1.842
  502    H    SER  20           H        SER  20  20.057   4.075  -2.140
  503    HA   SER  20           HA       SER  20  19.338   5.507  -4.574
  504   1HB   SER  20          1HB       SER  20  21.384   3.640  -5.100
  505   2HB   SER  20          2HB       SER  20  21.552   5.382  -4.875
  506    HG   SER  20           HG       SER  20  22.358   3.384  -3.264
  507    H    ASP  21           H        ASP  21  18.217   2.805  -3.076
  508    HA   ASP  21           HA       ASP  21  18.139   0.966  -5.274
  509   1HB   ASP  21          1HB       ASP  21  16.853   1.060  -2.564
  510   2HB   ASP  21          2HB       ASP  21  16.284  -0.097  -3.762
  511    H    THR  22           H        THR  22  16.382   0.390  -6.547
  512    HA   THR  22           HA       THR  22  14.515   2.548  -7.082
  513    HB   THR  22           HB       THR  22  13.852   0.743  -8.931
  514    HG1  THR  22           HG1      THR  22  15.451  -0.681  -9.366
  515   1HG2  THR  22          1HG2      THR  22  14.722   2.934  -9.462
  516   2HG2  THR  22          2HG2      THR  22  15.598   1.723 -10.399
  517   3HG2  THR  22          3HG2      THR  22  16.347   2.445  -8.976
  518    H    ILE  23           H        ILE  23  12.217   2.208  -7.238
  519    HA   ILE  23           HA       ILE  23  11.102   0.793  -5.086
  520    HB   ILE  23           HB       ILE  23   9.724   1.752  -7.598
  521   1HG1  ILE  23          1HG1      ILE  23  10.844   3.582  -6.461
  522   2HG1  ILE  23          2HG1      ILE  23   9.109   3.717  -6.203
  523   1HG2  ILE  23          1HG2      ILE  23   8.559   1.036  -4.911
  524   2HG2  ILE  23          2HG2      ILE  23   8.375   0.113  -6.402
  525   3HG2  ILE  23          3HG2      ILE  23   7.672   1.725  -6.271
  526   1HD1  ILE  23          1HD1      ILE  23  10.209   4.222  -4.153
  527   2HD1  ILE  23          2HD1      ILE  23  11.181   2.754  -4.248
  528   3HD1  ILE  23          3HD1      ILE  23   9.443   2.643  -3.974
  529    H    GLU  24           H        GLU  24  11.597  -0.098  -8.449
  530    HA   GLU  24           HA       GLU  24  10.045  -2.447  -8.477
  531   1HB   GLU  24          1HB       GLU  24  10.910  -1.386 -10.522
  532   2HB   GLU  24          2HB       GLU  24  12.549  -1.797 -10.047
  533   1HG   GLU  24          1HG       GLU  24  11.971  -4.180 -10.184
  534   2HG   GLU  24          2HG       GLU  24  10.352  -3.740 -10.723
  535    H    ASN  25           H        ASN  25  13.394  -1.817  -7.566
  536    HA   ASN  25           HA       ASN  25  14.122  -4.519  -7.094
  537   1HB   ASN  25          1HB       ASN  25  15.735  -2.617  -7.434
  538   2HB   ASN  25          2HB       ASN  25  15.312  -2.037  -5.825
  539   1HD2  ASN  25          1HD2      ASN  25  16.270  -2.934  -4.084
  540   2HD2  ASN  25          2HD2      ASN  25  17.418  -4.223  -4.161
  541    H    VAL  26           H        VAL  26  12.700  -1.973  -5.147
  542    HA   VAL  26           HA       VAL  26  12.864  -3.213  -2.623
  543    HB   VAL  26           HB       VAL  26  10.830  -1.236  -3.687
  544   1HG1  VAL  26          1HG1      VAL  26  10.235  -0.772  -1.389
  545   2HG1  VAL  26          2HG1      VAL  26  11.391  -1.974  -0.818
  546   3HG1  VAL  26          3HG1      VAL  26   9.973  -2.481  -1.737
  547   1HG2  VAL  26          1HG2      VAL  26  12.147   0.434  -2.502
  548   2HG2  VAL  26          2HG2      VAL  26  13.139  -0.416  -3.688
  549   3HG2  VAL  26          3HG2      VAL  26  13.279  -0.813  -1.974
  550    H    LYS  27           H        LYS  27  10.379  -3.237  -5.142
  551    HA   LYS  27           HA       LYS  27   8.467  -4.816  -3.850
  552   1HB   LYS  27          1HB       LYS  27   9.146  -4.424  -6.756
  553   2HB   LYS  27          2HB       LYS  27   7.828  -5.463  -6.247
  554   1HG   LYS  27          1HG       LYS  27   6.788  -3.533  -5.113
  555   2HG   LYS  27          2HG       LYS  27   8.079  -2.507  -5.747
  556   1HD   LYS  27          2HD       LYS  27   7.426  -2.984  -8.006
  557   2HD   LYS  27          1HD       LYS  27   6.256  -4.185  -7.465
  558   1HE   LYS  27          2HE       LYS  27   4.950  -2.436  -6.381
  559   2HE   LYS  27          1HE       LYS  27   6.136  -1.229  -6.877
  560   1HZ   LYS  27          1HZ       LYS  27   4.262  -1.219  -8.373
  561   2HZ   LYS  27          2HZ       LYS  27   4.447  -2.869  -8.688
  562   3HZ   LYS  27          3HZ       LYS  27   5.636  -1.773  -9.198
  563    H    ALA  28           H        ALA  28  11.258  -5.687  -5.817
  564    HA   ALA  28           HA       ALA  28  10.795  -8.446  -5.996
  565   1HB   ALA  28          1HB       ALA  28  13.095  -8.645  -6.643
  566   2HB   ALA  28          2HB       ALA  28  13.479  -7.079  -5.930
  567   3HB   ALA  28          3HB       ALA  28  12.439  -7.169  -7.352
  568    H    LYS  29           H        LYS  29  12.585  -6.525  -3.616
  569    HA   LYS  29           HA       LYS  29  13.549  -8.641  -2.043
  570   1HB   LYS  29          1HB       LYS  29  12.858  -5.781  -1.371
  571   2HB   LYS  29          2HB       LYS  29  13.543  -6.884  -0.187
  572   1HG   LYS  29          1HG       LYS  29  15.553  -7.102  -1.446
  573   2HG   LYS  29          2HG       LYS  29  14.861  -6.214  -2.805
  574   1HD   LYS  29          2HD       LYS  29  14.844  -4.186  -1.591
  575   2HD   LYS  29          1HD       LYS  29  15.163  -5.013  -0.066
  576   1HE   LYS  29          2HE       LYS  29  17.139  -5.237  -2.292
  577   2HE   LYS  29          1HE       LYS  29  17.083  -3.754  -1.341
  578   1HZ   LYS  29          1HZ       LYS  29  17.440  -6.478  -0.217
  579   2HZ   LYS  29          2HZ       LYS  29  17.486  -5.026   0.651
  580   3HZ   LYS  29          3HZ       LYS  29  18.689  -5.373  -0.484
  581    H    ILE  30           H        ILE  30  10.519  -6.832  -1.938
  582    HA   ILE  30           HA       ILE  30   9.490  -8.045   0.399
  583    HB   ILE  30           HB       ILE  30   8.029  -6.774  -1.922
  584   1HG1  ILE  30          1HG1      ILE  30   8.746  -5.678   0.807
  585   2HG1  ILE  30          2HG1      ILE  30   9.600  -5.304  -0.686
  586   1HG2  ILE  30          1HG2      ILE  30   6.990  -7.475   0.821
  587   2HG2  ILE  30          2HG2      ILE  30   6.553  -8.277  -0.687
  588   3HG2  ILE  30          3HG2      ILE  30   6.109  -6.590  -0.425
  589   1HD1  ILE  30          1HD1      ILE  30   8.109  -3.511  -0.114
  590   2HD1  ILE  30          2HD1      ILE  30   6.745  -4.624  -0.039
  591   3HD1  ILE  30          3HD1      ILE  30   7.541  -4.306  -1.580
  592    H    GLN  31           H        GLN  31   9.171  -8.817  -3.046
  593    HA   GLN  31           HA       GLN  31   7.359 -10.956  -2.734
  594   1HB   GLN  31          1HB       GLN  31   7.792  -9.870  -4.896
  595   2HB   GLN  31          2HB       GLN  31   9.427 -10.517  -4.898
  596   1HG   GLN  31          1HG       GLN  31   8.354 -12.816  -4.783
  597   2HG   GLN  31          2HG       GLN  31   6.837 -12.006  -5.169
  598   1HE2  GLN  31          1HE2      GLN  31   6.630 -13.072  -7.115
  599   2HE2  GLN  31          2HE2      GLN  31   7.620 -12.704  -8.485
  600    H    ASP  32           H        ASP  32  10.804 -10.741  -2.347
  601    HA   ASP  32           HA       ASP  32  11.387 -13.507  -2.562
  602   1HB   ASP  32          1HB       ASP  32  13.009 -11.532  -2.697
  603   2HB   ASP  32          2HB       ASP  32  12.980 -11.534  -0.937
  604    H    LYS  33           H        LYS  33  10.748 -11.415   0.251
  605    HA   LYS  33           HA       LYS  33  10.881 -13.775   1.970
  606   1HB   LYS  33          1HB       LYS  33  10.703 -12.088   3.836
  607   2HB   LYS  33          2HB       LYS  33  12.152 -12.000   2.846
  608   1HG   LYS  33          1HG       LYS  33  11.438 -10.045   1.777
  609   2HG   LYS  33          2HG       LYS  33   9.768 -10.259   2.307
  610   1HD   LYS  33          2HD       LYS  33  10.839  -8.490   3.583
  611   2HD   LYS  33          1HD       LYS  33  10.475  -9.860   4.633
  612   1HE   LYS  33          2HE       LYS  33  12.871 -10.612   4.225
  613   2HE   LYS  33          1HE       LYS  33  13.140  -9.023   3.515
  614   1HZ   LYS  33          1HZ       LYS  33  13.767  -9.127   5.866
  615   2HZ   LYS  33          2HZ       LYS  33  12.175  -9.501   6.279
  616   3HZ   LYS  33          3HZ       LYS  33  12.535  -7.998   5.596
  617    H    GLU  34           H        GLU  34   8.487 -11.672   0.610
  618    HA   GLU  34           HA       GLU  34   6.504 -12.718   2.509
  619   1HB   GLU  34          1HB       GLU  34   6.444 -10.312   0.703
  620   2HB   GLU  34          2HB       GLU  34   5.033 -10.892   1.577
  621   1HG   GLU  34          1HG       GLU  34   7.620 -10.069   2.869
  622   2HG   GLU  34          2HG       GLU  34   6.208  -9.028   2.695
  623    H    GLY  35           H        GLY  35   7.475 -12.855  -0.797
  624   1HA   GLY  35          1HA       GLY  35   6.762 -14.336  -2.426
  625   2HA   GLY  35          2HA       GLY  35   5.524 -14.903  -1.318
  626    H    ILE  36           H        ILE  36   5.181 -11.652  -1.370
  627    HA   ILE  36           HA       ILE  36   2.794 -11.775  -2.936
  628    HB   ILE  36           HB       ILE  36   4.189  -9.316  -1.864
  629   1HG1  ILE  36          1HG1      ILE  36   1.930 -10.829  -0.551
  630   2HG1  ILE  36          2HG1      ILE  36   3.621 -11.131  -0.162
  631   1HG2  ILE  36          1HG2      ILE  36   1.298  -9.752  -2.617
  632   2HG2  ILE  36          2HG2      ILE  36   2.486  -8.878  -3.586
  633   3HG2  ILE  36          3HG2      ILE  36   2.011  -8.257  -2.005
  634   1HD1  ILE  36          1HD1      ILE  36   2.518  -9.631   1.436
  635   2HD1  ILE  36          2HD1      ILE  36   2.229  -8.482   0.131
  636   3HD1  ILE  36          3HD1      ILE  36   3.879  -8.863   0.619
  637    HA   PRO  37           HA       PRO  37   4.824 -11.066  -6.878
  638   1HB   PRO  37          1HB       PRO  37   2.054 -10.421  -7.722
  639   2HB   PRO  37          2HB       PRO  37   3.189 -11.598  -8.391
  640   1HG   PRO  37          1HG       PRO  37   1.079 -12.371  -6.939
  641   2HG   PRO  37          2HG       PRO  37   2.633 -13.218  -6.840
  642   1HD   PRO  37          1HD       PRO  37   1.408 -11.277  -4.927
  643   2HD   PRO  37          2HD       PRO  37   2.376 -12.730  -4.602
  644    HA   PRO  38           HA       PRO  38   5.291  -6.632  -6.591
  645   1HB   PRO  38          1HB       PRO  38   6.392  -6.302  -9.107
  646   2HB   PRO  38          2HB       PRO  38   7.296  -6.729  -7.656
  647   1HG   PRO  38          1HG       PRO  38   6.283  -8.484  -9.843
  648   2HG   PRO  38          2HG       PRO  38   7.813  -8.569  -8.952
  649   1HD   PRO  38          1HD       PRO  38   5.781 -10.236  -8.421
  650   2HD   PRO  38          2HD       PRO  38   6.838  -9.623  -7.133
  651    H    ASP  39           H        ASP  39   3.627  -8.264  -9.171
  652    HA   ASP  39           HA       ASP  39   2.520  -6.020 -10.484
  653   1HB   ASP  39          1HB       ASP  39   2.483  -8.075 -11.657
  654   2HB   ASP  39          2HB       ASP  39   1.741  -8.927 -10.309
  655    H    GLN  40           H        GLN  40   1.597  -7.833  -7.654
  656    HA   GLN  40           HA       GLN  40  -0.941  -6.393  -7.424
  657   1HB   GLN  40          1HB       GLN  40   0.226  -8.712  -5.878
  658   2HB   GLN  40          2HB       GLN  40  -1.310  -7.954  -5.486
  659   1HG   GLN  40          1HG       GLN  40  -2.347  -8.756  -7.390
  660   2HG   GLN  40          2HG       GLN  40  -0.821  -8.998  -8.239
  661   1HE2  GLN  40          1HE2      GLN  40  -1.310 -10.028  -4.950
  662   2HE2  GLN  40          2HE2      GLN  40  -1.323 -11.728  -5.272
  663    H    GLN  41           H        GLN  41   2.150  -5.795  -6.675
  664    HA   GLN  41           HA       GLN  41   1.721  -4.793  -3.978
  665   1HB   GLN  41          1HB       GLN  41   4.143  -4.837  -5.778
  666   2HB   GLN  41          2HB       GLN  41   4.133  -4.061  -4.204
  667   1HG   GLN  41          1HG       GLN  41   3.507  -6.288  -3.225
  668   2HG   GLN  41          2HG       GLN  41   3.815  -6.987  -4.816
  669   1HE2  GLN  41          1HE2      GLN  41   5.564  -8.216  -4.167
  670   2HE2  GLN  41          2HE2      GLN  41   7.075  -7.513  -3.703
  671    H    ARG  42           H        ARG  42   0.891  -2.841  -3.672
  672    HA   ARG  42           HA       ARG  42   1.615  -0.704  -5.565
  673   1HB   ARG  42          1HB       ARG  42  -0.830  -1.579  -5.659
  674   2HB   ARG  42          2HB       ARG  42  -1.027  -0.743  -4.125
  675   1HG   ARG  42          1HG       ARG  42   0.057   1.246  -5.527
  676   2HG   ARG  42          2HG       ARG  42  -0.684   0.348  -6.851
  677   1HD   ARG  42          1HD       ARG  42  -2.225   2.019  -6.033
  678   2HD   ARG  42          2HD       ARG  42  -2.834   0.409  -5.656
  679    HE   ARG  42           HE       ARG  42  -1.293   1.574  -3.535
  680   1HH1  ARG  42          1HH1      ARG  42  -4.490   1.368  -4.971
  681   2HH1  ARG  42          2HH1      ARG  42  -5.306   1.760  -3.483
  682   1HH2  ARG  42          1HH2      ARG  42  -2.366   2.141  -1.608
  683   2HH2  ARG  42          2HH2      ARG  42  -4.093   2.229  -1.577
  684    H    LEU  43           H        LEU  43   3.345  -0.367  -4.037
  685    HA   LEU  43           HA       LEU  43   2.842   0.324  -1.321
  686   1HB   LEU  43          1HB       LEU  43   5.226   0.799  -3.105
  687   2HB   LEU  43          2HB       LEU  43   5.187   1.239  -1.409
  688    HG   LEU  43           HG       LEU  43   4.479  -1.382  -1.273
  689   1HD1  LEU  43          1HD1      LEU  43   6.462  -1.135  -3.528
  690   2HD1  LEU  43          2HD1      LEU  43   4.811  -1.737  -3.655
  691   3HD1  LEU  43          3HD1      LEU  43   6.003  -2.632  -2.715
  692   1HD2  LEU  43          1HD2      LEU  43   7.244  -0.182  -1.240
  693   2HD2  LEU  43          2HD2      LEU  43   6.817  -1.764  -0.586
  694   3HD2  LEU  43          3HD2      LEU  43   6.125  -0.304   0.120
  695    H    ILE  44           H        ILE  44   2.301   2.186  -0.429
  696    HA   ILE  44           HA       ILE  44   2.333   4.608  -2.108
  697    HB   ILE  44           HB       ILE  44   0.246   3.891  -0.043
  698   1HG1  ILE  44          1HG1      ILE  44   0.077   2.517  -2.102
  699   2HG1  ILE  44          2HG1      ILE  44  -1.299   3.592  -1.888
  700   1HG2  ILE  44          1HG2      ILE  44   0.414   6.230  -0.077
  701   2HG2  ILE  44          2HG2      ILE  44  -0.953   5.854  -1.126
  702   3HG2  ILE  44          3HG2      ILE  44   0.606   6.274  -1.829
  703   1HD1  ILE  44          1HD1      ILE  44  -0.234   5.164  -3.496
  704   2HD1  ILE  44          2HD1      ILE  44  -0.681   3.607  -4.190
  705   3HD1  ILE  44          3HD1      ILE  44   1.002   3.943  -3.791
  706    H    PHE  45           H        PHE  45   2.967   6.485  -1.161
  707    HA   PHE  45           HA       PHE  45   3.881   6.324   1.634
  708   1HB   PHE  45          1HB       PHE  45   5.676   6.450  -0.192
  709   2HB   PHE  45          2HB       PHE  45   5.104   8.085  -0.502
  710    HD1  PHE  45           HD1      PHE  45   5.592   6.299   2.729
  711    HD2  PHE  45           HD2      PHE  45   6.817   9.477   0.178
  712    HE1  PHE  45           HE1      PHE  45   7.081   7.139   4.497
  713    HE2  PHE  45           HE2      PHE  45   8.307  10.325   1.946
  714    HZ   PHE  45           HZ       PHE  45   8.440   9.154   4.107
  715    H    ALA  46           H        ALA  46   1.690   7.017   2.092
  716    HA   ALA  46           HA       ALA  46   0.098   8.519   2.666
  717   1HB   ALA  46          1HB       ALA  46   0.836  10.734   3.363
  718   2HB   ALA  46          2HB       ALA  46   2.384  10.488   2.553
  719   3HB   ALA  46          3HB       ALA  46   1.946   9.490   3.941
  720    H    GLY  47           H        GLY  47  -0.487   7.950   0.316
  721   1HA   GLY  47          1HA       GLY  47  -1.876   8.910  -1.325
  722   2HA   GLY  47          2HA       GLY  47  -1.141  10.473  -1.001
  723    H    LYS  48           H        LYS  48   1.516   9.921  -1.277
  724    HA   LYS  48           HA       LYS  48   1.842   9.998  -4.085
  725   1HB   LYS  48          1HB       LYS  48   3.862   9.677  -1.864
  726   2HB   LYS  48          2HB       LYS  48   4.282   9.955  -3.547
  727   1HG   LYS  48          1HG       LYS  48   3.270  12.120  -3.515
  728   2HG   LYS  48          2HG       LYS  48   2.603  11.839  -1.904
  729   1HD   LYS  48          2HD       LYS  48   5.553  11.627  -2.311
  730   2HD   LYS  48          1HD       LYS  48   4.816  13.228  -2.225
  731   1HE   LYS  48          2HE       LYS  48   4.125  11.213  -0.141
  732   2HE   LYS  48          1HE       LYS  48   5.699  12.000  -0.063
  733   1HZ   LYS  48          1HZ       LYS  48   4.662  14.125   0.070
  734   2HZ   LYS  48          2HZ       LYS  48   3.921  13.131   1.222
  735   3HZ   LYS  48          3HZ       LYS  48   3.128  13.477  -0.228
  736    H    GLN  49           H        GLN  49   1.868   8.356  -5.458
  737    HA   GLN  49           HA       GLN  49   2.169   5.639  -4.527
  738   1HB   GLN  49          1HB       GLN  49   0.572   6.449  -6.378
  739   2HB   GLN  49          2HB       GLN  49   1.996   6.514  -7.407
  740   1HG   GLN  49          1HG       GLN  49   2.363   4.075  -6.697
  741   2HG   GLN  49          2HG       GLN  49   0.689   4.129  -6.152
  742   1HE2  GLN  49          1HE2      GLN  49   0.050   6.043  -8.357
  743   2HE2  GLN  49          2HE2      GLN  49  -0.082   5.055  -9.770
  744    H    LEU  50           H        LEU  50   3.912   4.339  -4.797
  745    HA   LEU  50           HA       LEU  50   6.387   5.618  -5.614
  746   1HB   LEU  50          1HB       LEU  50   5.921   2.831  -4.551
  747   2HB   LEU  50          2HB       LEU  50   7.476   3.616  -4.744
  748    HG   LEU  50           HG       LEU  50   5.307   4.336  -2.775
  749   1HD1  LEU  50          1HD1      LEU  50   8.159   3.500  -2.302
  750   2HD1  LEU  50          2HD1      LEU  50   6.797   2.382  -2.297
  751   3HD1  LEU  50          3HD1      LEU  50   6.873   3.682  -1.109
  752   1HD2  LEU  50          1HD2      LEU  50   6.245   6.400  -3.563
  753   2HD2  LEU  50          2HD2      LEU  50   7.884   5.765  -3.413
  754   3HD2  LEU  50          3HD2      LEU  50   6.914   6.054  -1.967
  755    H    GLU  51           H        GLU  51   6.797   5.671  -7.715
  756    HA   GLU  51           HA       GLU  51   5.797   3.651  -9.514
  757   1HB   GLU  51          1HB       GLU  51   5.953   6.097 -10.064
  758   2HB   GLU  51          2HB       GLU  51   7.698   5.916 -10.105
  759   1HG   GLU  51          1HG       GLU  51   7.508   4.326 -11.934
  760   2HG   GLU  51          2HG       GLU  51   5.750   4.469 -11.881
  761    H    ASP  52           H        ASP  52   6.857   2.006 -10.388
  762    HA   ASP  52           HA       ASP  52   9.037   0.810  -9.197
  763   1HB   ASP  52          1HB       ASP  52   8.090   0.431 -12.040
  764   2HB   ASP  52          2HB       ASP  52   9.071  -0.701 -11.117
  765    H    GLY  53           H        GLY  53   9.041   2.958 -12.011
  766   1HA   GLY  53          1HA       GLY  53  11.815   2.479 -12.591
  767   2HA   GLY  53          2HA       GLY  53  10.788   3.679 -13.348
  768    H    ARG  54           H        ARG  54  10.482   4.165 -10.091
  769    HA   ARG  54           HA       ARG  54  12.563   6.240 -10.191
  770   1HB   ARG  54          1HB       ARG  54  10.154   6.149  -8.372
  771   2HB   ARG  54          2HB       ARG  54  11.254   7.501  -8.603
  772   1HG   ARG  54          1HG       ARG  54   9.450   6.365 -10.725
  773   2HG   ARG  54          2HG       ARG  54   9.104   7.799  -9.759
  774   1HD   ARG  54          1HD       ARG  54  10.540   9.089 -10.938
  775   2HD   ARG  54          2HD       ARG  54  11.710   7.785 -11.136
  776    HE   ARG  54           HE       ARG  54   9.265   7.526 -12.686
  777   1HH1  ARG  54          1HH1      ARG  54  12.591   8.633 -12.621
  778   2HH1  ARG  54          2HH1      ARG  54  12.777   8.578 -14.342
  779   1HH2  ARG  54          1HH2      ARG  54   9.499   7.482 -14.949
  780   2HH2  ARG  54          2HH2      ARG  54  11.005   7.946 -15.674
  781    H    THR  55           H        THR  55  13.569   6.802  -8.107
  782    HA   THR  55           HA       THR  55  14.173   4.347  -6.607
  783    HB   THR  55           HB       THR  55  16.203   5.611  -5.830
  784    HG1  THR  55           HG1      THR  55  15.098   7.526  -7.616
  785   1HG2  THR  55          1HG2      THR  55  17.405   5.456  -8.001
  786   2HG2  THR  55          2HG2      THR  55  15.850   5.217  -8.800
  787   3HG2  THR  55          3HG2      THR  55  16.433   4.031  -7.632
  788    H    LEU  56           H        LEU  56  14.886   4.851  -4.267
  789    HA   LEU  56           HA       LEU  56  12.664   5.888  -2.875
  790   1HB   LEU  56          1HB       LEU  56  15.468   5.298  -1.920
  791   2HB   LEU  56          2HB       LEU  56  14.124   5.672  -0.861
  792    HG   LEU  56           HG       LEU  56  14.281   3.276  -2.693
  793   1HD1  LEU  56          1HD1      LEU  56  14.523   1.991  -0.634
  794   2HD1  LEU  56          2HD1      LEU  56  14.552   3.487   0.302
  795   3HD1  LEU  56          3HD1      LEU  56  15.853   3.133  -0.835
  796   1HD2  LEU  56          1HD2      LEU  56  12.220   4.131  -0.667
  797   2HD2  LEU  56          2HD2      LEU  56  12.299   2.525  -1.390
  798   3HD2  LEU  56          3HD2      LEU  56  11.994   3.934  -2.404
  799    H    SER  57           H        SER  57  15.641   7.301  -3.981
  800    HA   SER  57           HA       SER  57  15.519   9.644  -2.360
  801   1HB   SER  57          1HB       SER  57  17.034  10.164  -4.695
  802   2HB   SER  57          2HB       SER  57  17.633   9.750  -3.086
  803    HG   SER  57           HG       SER  57  17.593   7.582  -3.647
  804    H    ASP  58           H        ASP  58  13.915   8.627  -5.202
  805    HA   ASP  58           HA       ASP  58  13.455  11.181  -6.381
  806   1HB   ASP  58          1HB       ASP  58  12.278   8.452  -6.733
  807   2HB   ASP  58          2HB       ASP  58  11.438   9.839  -7.418
  808    H    TYR  59           H        TYR  59  12.028   9.439  -3.776
  809    HA   TYR  59           HA       TYR  59   9.867  11.435  -3.621
  810   1HB   TYR  59          1HB       TYR  59   9.962   8.666  -2.401
  811   2HB   TYR  59          2HB       TYR  59   8.624   9.802  -2.266
  812    HD1  TYR  59           HD1      TYR  59  10.251   7.321  -4.341
  813    HD2  TYR  59           HD2      TYR  59   7.281  10.367  -4.285
  814    HE1  TYR  59           HE1      TYR  59   9.293   6.418  -6.416
  815    HE2  TYR  59           HE2      TYR  59   6.315   9.472  -6.361
  816    HH   TYR  59           HH       TYR  59   7.026   8.118  -8.288
  817    H    ASN  60           H        ASN  60  12.782  11.199  -2.642
  818    HA   ASN  60           HA       ASN  60  14.050  11.868  -0.895
  819   1HB   ASN  60          1HB       ASN  60  12.255  13.779  -1.177
  820   2HB   ASN  60          2HB       ASN  60  11.705  13.206   0.391
  821   1HD2  ASN  60          1HD2      ASN  60  14.156  14.885  -1.339
  822   2HD2  ASN  60          2HD2      ASN  60  15.074  15.397   0.033
  823    H    ILE  61           H        ILE  61  12.844   9.316  -0.678
  824    HA   ILE  61           HA       ILE  61  11.898   9.001   2.028
  825    HB   ILE  61           HB       ILE  61  12.710   6.897   0.012
  826   1HG1  ILE  61          1HG1      ILE  61   9.933   7.775   0.819
  827   2HG1  ILE  61          2HG1      ILE  61  10.771   8.392  -0.601
  828   1HG2  ILE  61          1HG2      ILE  61  12.827   6.088   2.321
  829   2HG2  ILE  61          2HG2      ILE  61  11.507   5.324   1.433
  830   3HG2  ILE  61          3HG2      ILE  61  11.163   6.614   2.588
  831   1HD1  ILE  61          1HD1      ILE  61  10.068   5.508  -0.109
  832   2HD1  ILE  61          2HD1      ILE  61  10.850   6.161  -1.549
  833   3HD1  ILE  61          3HD1      ILE  61   9.191   6.619  -1.161
  834    H    GLN  62           H        GLN  62  13.293   9.277   3.620
  835    HA   GLN  62           HA       GLN  62  16.071   8.428   3.287
  836   1HB   GLN  62          1HB       GLN  62  14.722  10.116   5.402
  837   2HB   GLN  62          2HB       GLN  62  16.427   9.691   5.419
  838   1HG   GLN  62          1HG       GLN  62  16.846  10.940   3.447
  839   2HG   GLN  62          2HG       GLN  62  15.121  11.175   3.158
  840   1HE2  GLN  62          1HE2      GLN  62  17.857  12.082   5.111
  841   2HE2  GLN  62          2HE2      GLN  62  17.160  13.525   5.765
  842    H    LYS  63           H        LYS  63  16.741   7.958   5.933
  843    HA   LYS  63           HA       LYS  63  15.782   5.291   6.271
  844   1HB   LYS  63          1HB       LYS  63  17.217   5.342   8.332
  845   2HB   LYS  63          2HB       LYS  63  18.060   5.741   6.841
  846   1HG   LYS  63          1HG       LYS  63  18.048   8.066   7.373
  847   2HG   LYS  63          2HG       LYS  63  16.988   7.793   8.756
  848   1HD   LYS  63          2HD       LYS  63  18.878   6.249   9.604
  849   2HD   LYS  63          1HD       LYS  63  19.883   7.104   8.429
  850   1HE   LYS  63          2HE       LYS  63  19.914   8.049  10.759
  851   2HE   LYS  63          1HE       LYS  63  19.490   9.193   9.487
  852   1HZ   LYS  63          1HZ       LYS  63  17.276   9.204  10.123
  853   2HZ   LYS  63          2HZ       LYS  63  18.082   9.146  11.610
  854   3HZ   LYS  63          3HZ       LYS  63  17.389   7.739  10.973
  855    H    GLU  64           H        GLU  64  14.833   4.484   8.280
  856    HA   GLU  64           HA       GLU  64  13.184   4.395   9.823
  857   1HB   GLU  64          1HB       GLU  64  14.233   7.167  10.232
  858   2HB   GLU  64          2HB       GLU  64  12.755   6.692  11.053
  859   1HG   GLU  64          1HG       GLU  64  14.523   6.320  12.567
  860   2HG   GLU  64          2HG       GLU  64  14.024   4.734  11.985
  861    H    SER  65           H        SER  65  12.314   4.603   7.258
  862    HA   SER  65           HA       SER  65  10.005   6.413   7.447
  863   1HB   SER  65          1HB       SER  65  11.263   5.255   4.946
  864   2HB   SER  65          2HB       SER  65   9.909   6.385   5.002
  865    HG   SER  65           HG       SER  65  12.600   6.847   5.227
  866    H    THR  66           H        THR  66   7.964   5.635   6.929
  867    HA   THR  66           HA       THR  66   7.739   2.701   6.915
  868    HB   THR  66           HB       THR  66   5.638   4.647   7.883
  869    HG1  THR  66           HG1      THR  66   7.718   4.613   9.093
  870   1HG2  THR  66          1HG2      THR  66   4.701   2.677   8.989
  871   2HG2  THR  66          2HG2      THR  66   6.000   1.678   8.337
  872   3HG2  THR  66          3HG2      THR  66   4.822   2.413   7.250
  873    H    LEU  67           H        LEU  67   7.074   1.874   5.075
  874    HA   LEU  67           HA       LEU  67   5.531   3.536   3.202
  875   1HB   LEU  67          1HB       LEU  67   7.039   0.962   2.720
  876   2HB   LEU  67          2HB       LEU  67   6.204   1.898   1.496
  877    HG   LEU  67           HG       LEU  67   8.623   2.815   3.055
  878   1HD1  LEU  67          1HD1      LEU  67   9.801   2.614   0.932
  879   2HD1  LEU  67          2HD1      LEU  67   8.342   1.969   0.178
  880   3HD1  LEU  67          3HD1      LEU  67   9.150   1.058   1.454
  881   1HD2  LEU  67          1HD2      LEU  67   6.972   4.135   0.916
  882   2HD2  LEU  67          2HD2      LEU  67   8.614   4.637   1.312
  883   3HD2  LEU  67          3HD2      LEU  67   7.346   4.734   2.532
  884    H    HIS  68           H        HIS  68   3.578   2.775   2.356
  885    HA   HIS  68           HA       HIS  68   2.354   0.651   3.955
  886   1HB   HIS  68          1HB       HIS  68   1.403   3.124   2.865
  887   2HB   HIS  68          2HB       HIS  68   0.442   1.804   2.211
  888    HD1  HIS  68           HD1      HIS  68   0.156  -0.037   4.602
  889    HD2  HIS  68           HD2      HIS  68  -0.113   4.102   4.884
  890    HE1  HIS  68           HE1      HIS  68  -1.143   0.419   6.705
  891    HE2  HIS  68           HE2      HIS  68  -1.185   2.930   6.918
  892    H    LEU  69           H        LEU  69   2.605  -1.300   3.132
  893    HA   LEU  69           HA       LEU  69   2.783  -1.730   0.274
  894   1HB   LEU  69          1HB       LEU  69   4.247  -3.007   1.727
  895   2HB   LEU  69          2HB       LEU  69   2.873  -3.636   2.614
  896    HG   LEU  69           HG       LEU  69   2.145  -4.828   0.551
  897   1HD1  LEU  69          1HD1      LEU  69   4.771  -3.792  -0.504
  898   2HD1  LEU  69          2HD1      LEU  69   3.159  -3.474  -1.145
  899   3HD1  LEU  69          3HD1      LEU  69   3.842  -5.097  -1.244
  900   1HD2  LEU  69          1HD2      LEU  69   4.933  -5.444   1.525
  901   2HD2  LEU  69          2HD2      LEU  69   3.868  -6.561   0.673
  902   3HD2  LEU  69          3HD2      LEU  69   3.427  -5.975   2.275
  903    H    VAL  70           H        VAL  70   0.732  -1.115  -0.413
  904    HA   VAL  70           HA       VAL  70  -1.598  -2.455   0.654
  905    HB   VAL  70           HB       VAL  70  -1.398  -0.578  -1.709
  906   1HG1  VAL  70          1HG1      VAL  70  -3.415  -2.081  -1.572
  907   2HG1  VAL  70          2HG1      VAL  70  -3.757  -0.351  -1.574
  908   3HG1  VAL  70          3HG1      VAL  70  -3.827  -1.260  -0.067
  909   1HG2  VAL  70          1HG2      VAL  70  -0.643   0.594   0.232
  910   2HG2  VAL  70          2HG2      VAL  70  -1.969  -0.043   1.202
  911   3HG2  VAL  70          3HG2      VAL  70  -2.300   1.108  -0.090
  912    H    LEU  71           H        LEU  71  -2.019  -4.452   0.071
  913    HA   LEU  71           HA       LEU  71  -1.049  -5.587  -2.381
  914   1HB   LEU  71          1HB       LEU  71  -2.661  -6.607  -0.069
  915   2HB   LEU  71          2HB       LEU  71  -2.600  -7.531  -1.556
  916    HG   LEU  71           HG       LEU  71  -0.068  -7.500  -1.318
  917   1HD1  LEU  71          1HD1      LEU  71  -0.790  -6.603   1.467
  918   2HD1  LEU  71          2HD1      LEU  71   0.102  -5.664   0.270
  919   3HD1  LEU  71          3HD1      LEU  71   0.804  -7.138   0.937
  920   1HD2  LEU  71          1HD2      LEU  71  -1.328  -9.492  -0.875
  921   2HD2  LEU  71          2HD2      LEU  71  -1.786  -8.901   0.722
  922   3HD2  LEU  71          3HD2      LEU  71  -0.104  -9.308   0.382
  923    H    ARG  72           H        ARG  72  -2.001  -4.770  -4.159
  924    HA   ARG  72           HA       ARG  72  -4.830  -4.197  -4.195
  925   1HB   ARG  72          1HB       ARG  72  -3.054  -2.833  -5.387
  926   2HB   ARG  72          2HB       ARG  72  -2.948  -4.149  -6.546
  927   1HG   ARG  72          1HG       ARG  72  -5.008  -3.714  -7.445
  928   2HG   ARG  72          2HG       ARG  72  -5.617  -2.967  -5.966
  929   1HD   ARG  72          1HD       ARG  72  -5.301  -1.288  -7.669
  930   2HD   ARG  72          2HD       ARG  72  -4.151  -1.041  -6.359
  931    HE   ARG  72           HE       ARG  72  -2.893  -2.600  -8.289
  932   1HH1  ARG  72          1HH1      ARG  72  -4.220   0.628  -7.979
  933   2HH1  ARG  72          2HH1      ARG  72  -3.127   1.316  -9.145
  934   1HH2  ARG  72          1HH2      ARG  72  -1.454  -1.694  -9.810
  935   2HH2  ARG  72          2HH2      ARG  72  -1.559  -0.003 -10.189
  936    H    LEU  73           H        LEU  73  -5.510  -6.345  -3.711
  937    HA   LEU  73           HA       LEU  73  -5.135  -8.383  -5.726
  938   1HB   LEU  73          1HB       LEU  73  -6.720  -8.321  -3.163
  939   2HB   LEU  73          2HB       LEU  73  -6.634  -9.718  -4.220
  940    HG   LEU  73           HG       LEU  73  -4.170  -8.469  -3.015
  941   1HD1  LEU  73          1HD1      LEU  73  -4.249 -10.246  -1.331
  942   2HD1  LEU  73          2HD1      LEU  73  -5.844 -10.718  -1.915
  943   3HD1  LEU  73          3HD1      LEU  73  -5.608  -9.133  -1.182
  944   1HD2  LEU  73          1HD2      LEU  73  -4.742 -11.190  -4.172
  945   2HD2  LEU  73          2HD2      LEU  73  -3.206 -10.661  -3.489
  946   3HD2  LEU  73          3HD2      LEU  73  -3.826  -9.900  -4.951
  947    H    ARG  74           H        ARG  74  -6.636  -9.104  -7.155
  948    HA   ARG  74           HA       ARG  74  -8.715  -7.258  -7.880
  949   1HB   ARG  74          1HB       ARG  74  -7.962  -9.942  -9.054
  950   2HB   ARG  74          2HB       ARG  74  -9.088  -8.802  -9.776
  951   1HG   ARG  74          1HG       ARG  74  -7.426  -7.322 -10.374
  952   2HG   ARG  74          2HG       ARG  74  -6.313  -7.914  -9.141
  953   1HD   ARG  74          1HD       ARG  74  -5.441  -8.682 -11.179
  954   2HD   ARG  74          2HD       ARG  74  -6.240 -10.080 -10.466
  955    HE   ARG  74           HE       ARG  74  -8.118  -8.886 -12.093
  956   1HH1  ARG  74          1HH1      ARG  74  -4.935 -10.277 -12.502
  957   2HH1  ARG  74          2HH1      ARG  74  -5.240 -10.821 -14.120
  958   1HH2  ARG  74          1HH2      ARG  74  -8.523  -9.598 -14.222
  959   2HH2  ARG  74          2HH2      ARG  74  -7.283 -10.436 -15.101
  960    H    GLY  75           H        GLY  75 -10.059  -7.410  -5.989
  961   1HA   GLY  75          1HA       GLY  75 -12.120  -9.421  -6.313
  962   2HA   GLY  75          2HA       GLY  75 -11.238  -9.519  -4.795
  963    H    GLY  76           H        GLY  76 -14.014  -8.997  -4.978
  964   1HA   GLY  76          1HA       GLY  76 -14.670  -7.272  -3.136
  965   2HA   GLY  76          2HA       GLY  76 -14.230  -6.130  -4.399
  Start of MODEL    5
    1    H    GLY  63           H        GLY  63 -23.536  13.960  -5.227
    2   1HA   GLY  63          1HA       GLY  63 -21.352  13.934  -3.226
    3   2HA   GLY  63          2HA       GLY  63 -23.058  14.150  -2.860
    4    H    SER  64           H        SER  64 -21.290  12.085  -1.900
    5    HA   SER  64           HA       SER  64 -22.851   9.782  -2.791
    6   1HB   SER  64          1HB       SER  64 -20.820   9.599  -4.103
    7   2HB   SER  64          2HB       SER  64 -19.825   9.859  -2.678
    8    HG   SER  64           HG       SER  64 -21.296   7.597  -3.440
    9    H    GLN  65           H        GLN  65 -22.924   8.081  -1.233
   10    HA   GLN  65           HA       GLN  65 -23.024   9.034   1.440
   11   1HB   GLN  65          1HB       GLN  65 -23.210   6.217   0.367
   12   2HB   GLN  65          2HB       GLN  65 -23.609   6.700   2.009
   13   1HG   GLN  65          1HG       GLN  65 -25.342   8.223   1.059
   14   2HG   GLN  65          2HG       GLN  65 -25.011   7.524  -0.523
   15   1HE2  GLN  65          1HE2      GLN  65 -26.316   6.963   2.648
   16   2HE2  GLN  65          2HE2      GLN  65 -27.165   5.508   2.259
   17    H    TRP  66           H        TRP  66 -20.536   7.675  -0.450
   18    HA   TRP  66           HA       TRP  66 -18.920   7.232   1.976
   19   1HB   TRP  66          1HB       TRP  66 -18.597   5.802  -0.674
   20   2HB   TRP  66          2HB       TRP  66 -17.710   5.481   0.812
   21    HD1  TRP  66           HD1      TRP  66 -19.073   4.236   2.796
   22    HE1  TRP  66           HE1      TRP  66 -21.102   2.654   2.708
   23    HE3  TRP  66           HE3      TRP  66 -20.746   5.349  -1.905
   24    HZ2  TRP  66           HZ2      TRP  66 -23.144   1.979   0.885
   25    HZ3  TRP  66           HZ3      TRP  66 -22.752   4.189  -2.745
   26    HH2  TRP  66           HH2      TRP  66 -23.923   2.542  -1.379
   27    H    GLN  67           H        GLN  67 -19.380   9.549  -0.018
   28    HA   GLN  67           HA       GLN  67 -17.078   9.940  -1.543
   29   1HB   GLN  67          1HB       GLN  67 -19.279  11.289  -1.524
   30   2HB   GLN  67          2HB       GLN  67 -18.504  12.248  -0.276
   31   1HG   GLN  67          1HG       GLN  67 -17.118  13.259  -1.714
   32   2HG   GLN  67          2HG       GLN  67 -16.884  11.801  -2.677
   33   1HE2  GLN  67          1HE2      GLN  67 -18.268  11.363  -4.374
   34   2HE2  GLN  67          2HE2      GLN  67 -19.356  12.548  -5.012
   35    HA   PRO  68           HA       PRO  68 -15.137  12.423   2.179
   36   1HB   PRO  68          1HB       PRO  68 -16.442  11.096   4.483
   37   2HB   PRO  68          2HB       PRO  68 -16.061  12.804   4.242
   38   1HG   PRO  68          1HG       PRO  68 -18.575  11.934   4.106
   39   2HG   PRO  68          2HG       PRO  68 -17.984  13.190   3.001
   40   1HD   PRO  68          1HD       PRO  68 -18.397  10.264   2.502
   41   2HD   PRO  68          2HD       PRO  68 -18.790  11.647   1.463
   42    H    GLN  69           H        GLN  69 -16.199   9.101   2.478
   43    HA   GLN  69           HA       GLN  69 -13.962   8.113   3.903
   44   1HB   GLN  69          1HB       GLN  69 -16.070   6.817   2.191
   45   2HB   GLN  69          2HB       GLN  69 -14.733   5.881   2.841
   46   1HG   GLN  69          1HG       GLN  69 -16.564   5.593   4.305
   47   2HG   GLN  69          2HG       GLN  69 -15.415   6.647   5.124
   48   1HE2  GLN  69          1HE2      GLN  69 -16.035   8.669   5.703
   49   2HE2  GLN  69          2HE2      GLN  69 -17.621   9.306   5.445
   50    H    LEU  70           H        LEU  70 -14.740   8.393   0.471
   51    HA   LEU  70           HA       LEU  70 -12.543   7.036  -0.604
   52   1HB   LEU  70          1HB       LEU  70 -13.872   9.489  -1.760
   53   2HB   LEU  70          2HB       LEU  70 -12.934   8.300  -2.639
   54    HG   LEU  70           HG       LEU  70 -15.527   7.640  -1.252
   55   1HD1  LEU  70          1HD1      LEU  70 -15.154   8.175  -4.189
   56   2HD1  LEU  70          2HD1      LEU  70 -15.730   9.396  -3.057
   57   3HD1  LEU  70          3HD1      LEU  70 -16.662   7.920  -3.309
   58   1HD2  LEU  70          1HD2      LEU  70 -13.902   5.807  -1.765
   59   2HD2  LEU  70          2HD2      LEU  70 -14.084   6.213  -3.472
   60   3HD2  LEU  70          3HD2      LEU  70 -15.474   5.647  -2.546
   61    H    GLN  71           H        GLN  71 -12.964  10.431   0.251
   62    HA   GLN  71           HA       GLN  71 -10.459  11.349  -0.591
   63   1HB   GLN  71          1HB       GLN  71 -12.295  12.365   1.577
   64   2HB   GLN  71          2HB       GLN  71 -10.885  13.239   0.988
   65   1HG   GLN  71          1HG       GLN  71 -13.196  12.392  -0.741
   66   2HG   GLN  71          2HG       GLN  71 -13.034  13.985  -0.002
   67   1HE2  GLN  71          1HE2      GLN  71 -11.592  15.431  -0.819
   68   2HE2  GLN  71          2HE2      GLN  71 -10.747  15.195  -2.310
   69    H    GLN  72           H        GLN  72 -11.529  10.145   2.569
   70    HA   GLN  72           HA       GLN  72  -9.092  10.578   3.917
   71   1HB   GLN  72          1HB       GLN  72 -11.345   8.639   4.437
   72   2HB   GLN  72          2HB       GLN  72  -9.981   8.853   5.529
   73   1HG   GLN  72          1HG       GLN  72 -11.900  11.025   4.710
   74   2HG   GLN  72          2HG       GLN  72 -11.973  10.115   6.218
   75   1HE2  GLN  72          1HE2      GLN  72 -10.308  12.579   4.437
   76   2HE2  GLN  72          2HE2      GLN  72  -9.346  13.159   5.748
   77    H    LEU  73           H        LEU  73 -10.321   7.846   2.056
   78    HA   LEU  73           HA       LEU  73  -8.160   6.098   2.677
   79   1HB   LEU  73          1HB       LEU  73 -10.270   6.112   0.538
   80   2HB   LEU  73          2HB       LEU  73  -8.993   4.912   0.547
   81    HG   LEU  73           HG       LEU  73 -11.119   5.326   2.643
   82   1HD1  LEU  73          1HD1      LEU  73 -12.142   4.001   1.114
   83   2HD1  LEU  73          2HD1      LEU  73 -11.249   2.749   1.981
   84   3HD1  LEU  73          3HD1      LEU  73 -10.623   3.391   0.462
   85   1HD2  LEU  73          1HD2      LEU  73  -9.226   4.809   3.918
   86   2HD2  LEU  73          2HD2      LEU  73  -8.596   3.706   2.696
   87   3HD2  LEU  73          3HD2      LEU  73 -10.007   3.249   3.650
   88    H    ARG  74           H        ARG  74  -8.831   8.330   0.036
   89    HA   ARG  74           HA       ARG  74  -6.676   7.712  -1.633
   90   1HB   ARG  74          1HB       ARG  74  -8.331  10.164  -1.182
   91   2HB   ARG  74          2HB       ARG  74  -6.913  10.265  -2.215
   92   1HG   ARG  74          1HG       ARG  74  -7.811   8.719  -3.758
   93   2HG   ARG  74          2HG       ARG  74  -9.093   8.244  -2.640
   94   1HD   ARG  74          1HD       ARG  74 -10.255  10.238  -2.929
   95   2HD   ARG  74          2HD       ARG  74  -8.842  11.079  -3.559
   96    HE   ARG  74           HE       ARG  74  -9.280   9.199  -5.434
   97   1HH1  ARG  74          1HH1      ARG  74 -11.385  11.537  -3.889
   98   2HH1  ARG  74          2HH1      ARG  74 -12.404  11.727  -5.279
   99   1HH2  ARG  74          1HH2      ARG  74 -10.618   9.475  -7.284
  100   2HH2  ARG  74          2HH2      ARG  74 -11.978  10.551  -7.201
  101    H    ASP  75           H        ASP  75  -6.931  10.010   1.037
  102    HA   ASP  75           HA       ASP  75  -4.295  11.039   0.786
  103   1HB   ASP  75          1HB       ASP  75  -6.162  12.238   1.912
  104   2HB   ASP  75          2HB       ASP  75  -6.095  11.056   3.219
  105    H    MET  76           H        MET  76  -5.653   8.267   2.360
  106    HA   MET  76           HA       MET  76  -3.426   7.785   4.092
  107   1HB   MET  76          1HB       MET  76  -5.814   6.936   4.416
  108   2HB   MET  76          2HB       MET  76  -5.444   5.736   3.188
  109   1HG   MET  76          1HG       MET  76  -3.680   6.025   5.579
  110   2HG   MET  76          2HG       MET  76  -5.193   5.134   5.694
  111   1HE   MET  76          1HE       MET  76  -5.361   3.679   2.768
  112   2HE   MET  76          2HE       MET  76  -5.783   3.046   4.359
  113   3HE   MET  76          3HE       MET  76  -4.687   2.143   3.314
  114    H    GLY  77           H        GLY  77  -4.589   6.265   1.078
  115   1HA   GLY  77          1HA       GLY  77  -2.123   6.058  -0.139
  116   2HA   GLY  77          2HA       GLY  77  -2.279   4.610   0.838
  117    H    ILE  78           H        ILE  78  -5.376   5.301  -0.016
  118    HA   ILE  78           HA       ILE  78  -5.257   3.313  -2.134
  119    HB   ILE  78           HB       ILE  78  -7.778   4.615  -1.131
  120   1HG1  ILE  78          1HG1      ILE  78  -6.553   3.763   0.822
  121   2HG1  ILE  78          2HG1      ILE  78  -7.985   2.791   0.499
  122   1HG2  ILE  78          1HG2      ILE  78  -8.797   2.524  -1.854
  123   2HG2  ILE  78          2HG2      ILE  78  -7.215   1.910  -2.333
  124   3HG2  ILE  78          3HG2      ILE  78  -7.917   3.290  -3.176
  125   1HD1  ILE  78          1HD1      ILE  78  -6.595   1.075  -0.529
  126   2HD1  ILE  78          2HD1      ILE  78  -6.076   1.418   1.121
  127   3HD1  ILE  78          3HD1      ILE  78  -5.158   2.058  -0.242
  128    H    GLN  79           H        GLN  79  -4.516   4.241  -3.946
  129    HA   GLN  79           HA       GLN  79  -5.355   6.821  -4.865
  130   1HB   GLN  79          1HB       GLN  79  -3.113   5.918  -5.315
  131   2HB   GLN  79          2HB       GLN  79  -3.821   4.631  -6.279
  132   1HG   GLN  79          1HG       GLN  79  -4.708   6.340  -7.827
  133   2HG   GLN  79          2HG       GLN  79  -3.874   7.577  -6.890
  134   1HE2  GLN  79          1HE2      GLN  79  -1.676   7.779  -7.060
  135   2HE2  GLN  79          2HE2      GLN  79  -0.743   6.962  -8.266
  136    H    ASP  80           H        ASP  80  -6.765   3.763  -5.002
  137    HA   ASP  80           HA       ASP  80  -8.212   4.388  -7.482
  138   1HB   ASP  80          1HB       ASP  80  -7.535   1.851  -6.090
  139   2HB   ASP  80          2HB       ASP  80  -9.074   1.914  -6.943
  140    H    ASP  81           H        ASP  81  -9.881   5.677  -6.985
  141    HA   ASP  81           HA       ASP  81 -11.344   5.459  -4.545
  142   1HB   ASP  81          1HB       ASP  81 -12.643   7.269  -5.290
  143   2HB   ASP  81          2HB       ASP  81 -11.059   7.556  -6.003
  144    H    GLU  82           H        GLU  82 -11.691   4.095  -7.739
  145    HA   GLU  82           HA       GLU  82 -14.401   3.314  -7.578
  146   1HB   GLU  82          1HB       GLU  82 -13.187   3.266  -9.701
  147   2HB   GLU  82          2HB       GLU  82 -12.093   2.043  -9.071
  148   1HG   GLU  82          1HG       GLU  82 -14.814   1.161  -8.829
  149   2HG   GLU  82          2HG       GLU  82 -14.465   1.644 -10.488
  150    H    LEU  83           H        LEU  83 -11.387   1.743  -6.660
  151    HA   LEU  83           HA       LEU  83 -12.583  -0.654  -5.731
  152   1HB   LEU  83          1HB       LEU  83 -10.019   0.207  -6.222
  153   2HB   LEU  83          2HB       LEU  83 -10.051   0.127  -4.475
  154    HG   LEU  83           HG       LEU  83  -9.252  -1.928  -5.852
  155   1HD1  LEU  83          1HD1      LEU  83 -10.081  -3.434  -4.118
  156   2HD1  LEU  83          2HD1      LEU  83 -11.228  -2.197  -3.602
  157   3HD1  LEU  83          3HD1      LEU  83  -9.495  -1.913  -3.445
  158   1HD2  LEU  83          1HD2      LEU  83 -10.868  -3.432  -6.628
  159   2HD2  LEU  83          2HD2      LEU  83 -11.401  -1.865  -7.235
  160   3HD2  LEU  83          3HD2      LEU  83 -12.180  -2.576  -5.822
  161    H    SER  84           H        SER  84 -11.760   2.427  -4.257
  162    HA   SER  84           HA       SER  84 -12.153   1.711  -1.565
  163   1HB   SER  84          1HB       SER  84 -12.662   4.410  -2.847
  164   2HB   SER  84          2HB       SER  84 -12.370   4.104  -1.137
  165    HG   SER  84           HG       SER  84 -10.531   3.621  -3.254
  166    H    LEU  85           H        LEU  85 -14.364   3.098  -3.981
  167    HA   LEU  85           HA       LEU  85 -16.642   3.256  -2.362
  168   1HB   LEU  85          1HB       LEU  85 -16.056   3.997  -4.881
  169   2HB   LEU  85          2HB       LEU  85 -16.984   2.554  -5.224
  170    HG   LEU  85           HG       LEU  85 -18.383   4.540  -5.347
  171   1HD1  LEU  85          1HD1      LEU  85 -20.196   3.837  -3.974
  172   2HD1  LEU  85          2HD1      LEU  85 -19.107   2.975  -2.887
  173   3HD1  LEU  85          3HD1      LEU  85 -19.340   2.401  -4.537
  174   1HD2  LEU  85          1HD2      LEU  85 -17.687   4.963  -2.448
  175   2HD2  LEU  85          2HD2      LEU  85 -18.861   5.889  -3.382
  176   3HD2  LEU  85          3HD2      LEU  85 -17.150   5.957  -3.800
  177    H    ARG  86           H        ARG  86 -15.465   0.655  -4.461
  178    HA   ARG  86           HA       ARG  86 -17.595  -1.127  -4.158
  179   1HB   ARG  86          1HB       ARG  86 -14.674  -1.516  -4.751
  180   2HB   ARG  86          2HB       ARG  86 -15.765  -2.886  -4.628
  181   1HG   ARG  86          1HG       ARG  86 -17.011  -2.200  -6.497
  182   2HG   ARG  86          2HG       ARG  86 -16.295  -0.588  -6.477
  183   1HD   ARG  86          1HD       ARG  86 -15.303  -1.827  -8.265
  184   2HD   ARG  86          2HD       ARG  86 -14.098  -1.620  -6.997
  185    HE   ARG  86           HE       ARG  86 -15.126  -4.036  -6.397
  186   1HH1  ARG  86          1HH1      ARG  86 -13.911  -2.652  -9.393
  187   2HH1  ARG  86          2HH1      ARG  86 -13.405  -4.190 -10.036
  188   1HH2  ARG  86          1HH2      ARG  86 -14.470  -6.053  -7.254
  189   2HH2  ARG  86          2HH2      ARG  86 -13.727  -6.120  -8.827
  190    H    ALA  87           H        ALA  87 -14.512  -1.027  -2.386
  191    HA   ALA  87           HA       ALA  87 -15.126  -3.102  -0.598
  192   1HB   ALA  87          1HB       ALA  87 -13.232  -0.804  -0.152
  193   2HB   ALA  87          2HB       ALA  87 -12.855  -2.263  -1.066
  194   3HB   ALA  87          3HB       ALA  87 -13.210  -2.370   0.657
  195    H    LEU  88           H        LEU  88 -15.545   0.409  -0.324
  196    HA   LEU  88           HA       LEU  88 -16.372   0.468   2.362
  197   1HB   LEU  88          1HB       LEU  88 -16.373   2.290   0.086
  198   2HB   LEU  88          2HB       LEU  88 -17.757   2.531   1.134
  199    HG   LEU  88           HG       LEU  88 -15.866   4.012   1.690
  200   1HD1  LEU  88          1HD1      LEU  88 -16.693   1.978   3.741
  201   2HD1  LEU  88          2HD1      LEU  88 -17.377   3.577   3.449
  202   3HD1  LEU  88          3HD1      LEU  88 -15.757   3.422   4.129
  203   1HD2  LEU  88          1HD2      LEU  88 -14.439   1.459   2.417
  204   2HD2  LEU  88          2HD2      LEU  88 -13.866   3.096   2.732
  205   3HD2  LEU  88          3HD2      LEU  88 -14.036   2.525   1.072
  206    H    GLN  89           H        GLN  89 -18.242   0.268  -0.641
  207    HA   GLN  89           HA       GLN  89 -20.795   0.195   0.551
  208   1HB   GLN  89          1HB       GLN  89 -20.434   0.678  -1.826
  209   2HB   GLN  89          2HB       GLN  89 -19.851  -0.961  -2.079
  210   1HG   GLN  89          1HG       GLN  89 -22.137  -1.721  -1.253
  211   2HG   GLN  89          2HG       GLN  89 -22.637  -0.043  -1.465
  212   1HE2  GLN  89          1HE2      GLN  89 -21.634  -2.957  -3.048
  213   2HE2  GLN  89          2HE2      GLN  89 -22.087  -2.489  -4.649
  214    H    ALA  90           H        ALA  90 -18.475  -2.315  -0.261
  215    HA   ALA  90           HA       ALA  90 -20.149  -4.540   0.227
  216   1HB   ALA  90          1HB       ALA  90 -17.148  -4.448   0.420
  217   2HB   ALA  90          2HB       ALA  90 -18.040  -4.576  -1.095
  218   3HB   ALA  90          3HB       ALA  90 -18.159  -5.856   0.111
  219    H    THR  91           H        THR  91 -18.509  -2.395   2.345
  220    HA   THR  91           HA       THR  91 -18.921  -4.260   4.587
  221    HB   THR  91           HB       THR  91 -17.322  -2.671   5.806
  222    HG1  THR  91           HG1      THR  91 -16.534  -1.981   3.159
  223   1HG2  THR  91          1HG2      THR  91 -15.325  -3.664   4.371
  224   2HG2  THR  91          2HG2      THR  91 -16.631  -4.615   3.661
  225   3HG2  THR  91          3HG2      THR  91 -16.327  -4.688   5.397
  226    H    GLY  92           H        GLY  92 -20.605  -2.051   3.122
  227   1HA   GLY  92          1HA       GLY  92 -22.484  -0.912   3.889
  228   2HA   GLY  92          2HA       GLY  92 -21.929  -1.159   5.540
  229    H    GLY  93           H        GLY  93 -19.651   0.010   5.829
  230   1HA   GLY  93          1HA       GLY  93 -19.056   2.374   4.487
  231   2HA   GLY  93          2HA       GLY  93 -20.208   2.784   5.750
  232    H    ASP  94           H        ASP  94 -17.413   0.575   5.564
  233    HA   ASP  94           HA       ASP  94 -16.359   1.924   7.964
  234   1HB   ASP  94          1HB       ASP  94 -17.278  -0.456   8.262
  235   2HB   ASP  94          2HB       ASP  94 -15.883  -0.980   7.327
  236    H    ILE  95           H        ILE  95 -14.156   2.297   8.042
  237    HA   ILE  95           HA       ILE  95 -12.836   2.439   5.485
  238    HB   ILE  95           HB       ILE  95 -11.985   3.307   8.244
  239   1HG1  ILE  95          1HG1      ILE  95 -13.826   4.599   7.249
  240   2HG1  ILE  95          2HG1      ILE  95 -12.362   5.565   7.386
  241   1HG2  ILE  95          1HG2      ILE  95 -10.144   4.506   7.146
  242   2HG2  ILE  95          2HG2      ILE  95 -10.570   3.731   5.620
  243   3HG2  ILE  95          3HG2      ILE  95 -10.000   2.755   6.974
  244   1HD1  ILE  95          1HD1      ILE  95 -13.360   6.046   5.292
  245   2HD1  ILE  95          2HD1      ILE  95 -13.515   4.335   4.899
  246   3HD1  ILE  95          3HD1      ILE  95 -11.919   5.082   4.976
  247    H    GLN  96           H        GLN  96 -11.828   1.098   8.644
  248    HA   GLN  96           HA       GLN  96  -9.621  -0.299   7.608
  249   1HB   GLN  96          1HB       GLN  96 -11.053  -0.205  10.179
  250   2HB   GLN  96          2HB       GLN  96 -10.198  -1.707   9.859
  251   1HG   GLN  96          1HG       GLN  96  -9.013   1.061   9.871
  252   2HG   GLN  96          2HG       GLN  96  -8.793  -0.188  11.095
  253   1HE2  GLN  96          1HE2      GLN  96  -8.525  -2.370   9.224
  254   2HE2  GLN  96          2HE2      GLN  96  -6.980  -2.181   8.462
  255    H    ALA  97           H        ALA  97 -12.960  -1.335   8.206
  256    HA   ALA  97           HA       ALA  97 -12.554  -4.077   7.746
  257   1HB   ALA  97          1HB       ALA  97 -15.100  -2.821   6.867
  258   2HB   ALA  97          2HB       ALA  97 -14.665  -2.737   8.574
  259   3HB   ALA  97          3HB       ALA  97 -14.829  -4.304   7.781
  260    H    ALA  98           H        ALA  98 -13.057  -1.397   5.555
  261    HA   ALA  98           HA       ALA  98 -13.451  -2.926   3.198
  262   1HB   ALA  98          1HB       ALA  98 -12.486  -0.085   3.556
  263   2HB   ALA  98          2HB       ALA  98 -14.157  -0.605   3.335
  264   3HB   ALA  98          3HB       ALA  98 -12.994  -0.802   2.027
  265    H    LEU  99           H        LEU  99 -10.625  -1.434   4.718
  266    HA   LEU  99           HA       LEU  99  -8.762  -2.065   2.689
  267   1HB   LEU  99          1HB       LEU  99  -8.235  -1.710   5.643
  268   2HB   LEU  99          2HB       LEU  99  -7.053  -1.590   4.354
  269    HG   LEU  99           HG       LEU  99  -9.381   0.282   4.775
  270   1HD1  LEU  99          1HD1      LEU  99  -6.434   0.678   5.241
  271   2HD1  LEU  99          2HD1      LEU  99  -7.667   0.511   6.489
  272   3HD1  LEU  99          3HD1      LEU  99  -7.686   1.909   5.412
  273   1HD2  LEU  99          1HD2      LEU  99  -8.840   0.099   2.426
  274   2HD2  LEU  99          2HD2      LEU  99  -7.125   0.322   2.772
  275   3HD2  LEU  99          3HD2      LEU  99  -8.259   1.644   3.045
  276    H    GLU 100           H        GLU 100  -9.718  -3.733   5.661
  277    HA   GLU 100           HA       GLU 100  -7.898  -5.893   5.360
  278   1HB   GLU 100          1HB       GLU 100 -10.468  -5.679   6.935
  279   2HB   GLU 100          2HB       GLU 100  -9.328  -7.012   7.064
  280   1HG   GLU 100          1HG       GLU 100  -7.660  -5.627   7.986
  281   2HG   GLU 100          2HG       GLU 100  -8.547  -4.160   7.578
  282    H    LEU 101           H        LEU 101 -10.980  -5.161   4.014
  283    HA   LEU 101           HA       LEU 101 -11.802  -7.784   3.319
  284   1HB   LEU 101          1HB       LEU 101 -13.214  -5.675   3.404
  285   2HB   LEU 101          2HB       LEU 101 -12.489  -5.222   1.879
  286    HG   LEU 101           HG       LEU 101 -14.832  -6.322   1.901
  287   1HD1  LEU 101          1HD1      LEU 101 -13.614  -5.827  -0.132
  288   2HD1  LEU 101          2HD1      LEU 101 -14.405  -7.397  -0.257
  289   3HD1  LEU 101          3HD1      LEU 101 -12.670  -7.306   0.048
  290   1HD2  LEU 101          1HD2      LEU 101 -14.207  -8.214   3.339
  291   2HD2  LEU 101          2HD2      LEU 101 -13.118  -8.793   2.077
  292   3HD2  LEU 101          3HD2      LEU 101 -14.855  -8.736   1.783
  293    H    ILE 102           H        ILE 102 -10.172  -5.218   1.468
  294    HA   ILE 102           HA       ILE 102  -9.807  -6.899  -0.821
  295    HB   ILE 102           HB       ILE 102  -8.508  -5.083  -1.769
  296   1HG1  ILE 102          1HG1      ILE 102  -8.805  -3.704   0.911
  297   2HG1  ILE 102          2HG1      ILE 102  -7.317  -4.430   0.319
  298   1HG2  ILE 102          1HG2      ILE 102 -10.904  -4.929  -1.909
  299   2HG2  ILE 102          2HG2      ILE 102 -10.230  -3.317  -1.666
  300   3HG2  ILE 102          3HG2      ILE 102 -10.986  -4.169  -0.319
  301   1HD1  ILE 102          1HD1      ILE 102  -7.249  -2.050  -0.005
  302   2HD1  ILE 102          2HD1      ILE 102  -8.774  -2.091  -0.889
  303   3HD1  ILE 102          3HD1      ILE 102  -7.337  -2.853  -1.573
  304    H    PHE 103           H        PHE 103  -8.124  -6.448   2.105
  305    HA   PHE 103           HA       PHE 103  -5.481  -6.995   1.348
  306   1HB   PHE 103          1HB       PHE 103  -6.126  -6.160   3.579
  307   2HB   PHE 103          2HB       PHE 103  -6.894  -7.700   3.935
  308    HD1  PHE 103           HD1      PHE 103  -3.573  -6.430   2.781
  309    HD2  PHE 103           HD2      PHE 103  -5.717  -9.159   5.245
  310    HE1  PHE 103           HE1      PHE 103  -1.449  -7.268   3.701
  311    HE2  PHE 103           HE2      PHE 103  -3.599  -9.996   6.171
  312    HZ   PHE 103           HZ       PHE 103  -1.453  -9.049   5.397
  313    H    ALA 104           H        ALA 104  -8.232  -9.085   1.874
  314    HA   ALA 104           HA       ALA 104  -6.554 -11.438   1.315
  315   1HB   ALA 104          1HB       ALA 104  -9.272 -11.293   2.614
  316   2HB   ALA 104          2HB       ALA 104  -7.737 -11.566   3.436
  317   3HB   ALA 104          3HB       ALA 104  -8.359 -12.771   2.307
  318    H    GLY 105           H        GLY 105  -8.309  -9.301  -0.314
  319   1HA   GLY 105          1HA       GLY 105  -9.220  -9.340  -2.429
  320   2HA   GLY 105          2HA       GLY 105  -8.763 -11.034  -2.528
  321    H    GLY 106           H        GLY 106 -10.921  -9.441  -0.207
  322   1HA   GLY 106          1HA       GLY 106 -13.261  -9.550  -0.098
  323   2HA   GLY 106          2HA       GLY 106 -13.250 -10.663  -1.463
  324    H    ALA 107           H        ALA 107 -14.362 -12.373  -0.702
  325    HA   ALA 107           HA       ALA 107 -13.629 -13.475   1.911
  326   1HB   ALA 107          1HB       ALA 107 -16.013 -13.121   1.518
  327   2HB   ALA 107          2HB       ALA 107 -15.657 -14.840   1.686
  328   3HB   ALA 107          3HB       ALA 107 -15.941 -14.152   0.089
  329    HA   PRO 108           HA       PRO 108 -11.289 -16.355  -0.672
  330   1HB   PRO 108          1HB       PRO 108  -9.556 -17.137   1.238
  331   2HB   PRO 108          2HB       PRO 108  -9.402 -15.600   0.383
  332   1HG   PRO 108          1HG       PRO 108 -10.398 -16.150   3.129
  333   2HG   PRO 108          2HG       PRO 108  -9.489 -14.759   2.520
  334   1HD   PRO 108          1HD       PRO 108 -12.239 -14.833   2.971
  335   2HD   PRO 108          2HD       PRO 108 -11.387 -13.638   1.976
  336   1H    MET   1          1H        MET   1  19.074   1.960   4.092
  337   2H    MET   1          2H        MET   1  20.078   1.219   5.233
  338   3H    MET   1          3H        MET   1  20.377   2.809   4.761
  339    HA   MET   1           HA       MET   1  19.352   2.664   6.945
  340   1HB   MET   1          1HB       MET   1  17.600   4.325   6.558
  341   2HB   MET   1          2HB       MET   1  19.019   4.671   5.581
  342   1HG   MET   1          1HG       MET   1  17.904   3.697   3.633
  343   2HG   MET   1          2HG       MET   1  16.479   3.370   4.619
  344   1HE   MET   1          1HE       MET   1  15.269   6.305   2.324
  345   2HE   MET   1          2HE       MET   1  14.964   4.656   2.868
  346   3HE   MET   1          3HE       MET   1  16.375   5.008   1.872
  347    H    GLN   2           H        GLN   2  17.390   2.312   8.136
  348    HA   GLN   2           HA       GLN   2  16.056  -0.122   7.246
  349   1HB   GLN   2          1HB       GLN   2  16.697  -0.581   9.375
  350   2HB   GLN   2          2HB       GLN   2  16.746   1.110   9.837
  351   1HG   GLN   2          1HG       GLN   2  14.171   0.959   9.800
  352   2HG   GLN   2          2HG       GLN   2  14.439  -0.784   9.866
  353   1HE2  GLN   2          1HE2      GLN   2  14.845   2.251  11.536
  354   2HE2  GLN   2          2HE2      GLN   2  15.127   1.568  13.104
  355    H    ILE   3           H        ILE   3  14.045  -0.140   6.527
  356    HA   ILE   3           HA       ILE   3  12.294   2.138   7.185
  357    HB   ILE   3           HB       ILE   3  11.204   1.916   5.009
  358   1HG1  ILE   3          1HG1      ILE   3  13.410   0.054   4.145
  359   2HG1  ILE   3          2HG1      ILE   3  11.888  -0.555   4.791
  360   1HG2  ILE   3          1HG2      ILE   3  12.976   2.853   3.618
  361   2HG2  ILE   3          2HG2      ILE   3  14.189   2.261   4.753
  362   3HG2  ILE   3          3HG2      ILE   3  13.044   3.503   5.256
  363   1HD1  ILE   3          1HD1      ILE   3  11.929  -0.518   2.346
  364   2HD1  ILE   3          2HD1      ILE   3  12.160   1.230   2.386
  365   3HD1  ILE   3          3HD1      ILE   3  10.668   0.523   3.007
  366    H    PHE   4           H        PHE   4   9.957   1.572   7.028
  367    HA   PHE   4           HA       PHE   4   9.536  -1.223   7.865
  368   1HB   PHE   4          1HB       PHE   4   8.154   1.289   8.828
  369   2HB   PHE   4          2HB       PHE   4   7.638  -0.341   9.241
  370    HD1  PHE   4           HD1      PHE   4   9.947   2.337   9.947
  371    HD2  PHE   4           HD2      PHE   4   9.127  -1.785  10.615
  372    HE1  PHE   4           HE1      PHE   4  11.497   2.342  11.859
  373    HE2  PHE   4           HE2      PHE   4  10.672  -1.787  12.529
  374    HZ   PHE   4           HZ       PHE   4  11.859   0.278  13.153
  375    H    VAL   5           H        VAL   5   8.014  -2.361   6.818
  376    HA   VAL   5           HA       VAL   5   6.306  -0.895   4.911
  377    HB   VAL   5           HB       VAL   5   7.158  -3.782   4.665
  378   1HG1  VAL   5          1HG1      VAL   5   6.373  -3.556   2.364
  379   2HG1  VAL   5          2HG1      VAL   5   5.894  -1.890   2.690
  380   3HG1  VAL   5          3HG1      VAL   5   5.086  -3.220   3.521
  381   1HG2  VAL   5          1HG2      VAL   5   8.711  -3.030   2.906
  382   2HG2  VAL   5          2HG2      VAL   5   9.142  -2.397   4.495
  383   3HG2  VAL   5          3HG2      VAL   5   8.341  -1.354   3.318
  384    H    LYS   6           H        LYS   6   4.330  -0.751   5.709
  385    HA   LYS   6           HA       LYS   6   3.225  -3.043   7.196
  386   1HB   LYS   6          1HB       LYS   6   3.432  -0.978   8.532
  387   2HB   LYS   6          2HB       LYS   6   2.449  -0.122   7.354
  388   1HG   LYS   6          1HG       LYS   6   0.551  -1.559   7.878
  389   2HG   LYS   6          2HG       LYS   6   1.538  -2.439   9.046
  390   1HD   LYS   6          2HD       LYS   6   1.720  -0.549  10.458
  391   2HD   LYS   6          1HD       LYS   6   1.080   0.530   9.216
  392   1HE   LYS   6          2HE       LYS   6  -1.078  -0.687   9.355
  393   2HE   LYS   6          1HE       LYS   6  -0.417  -1.636  10.685
  394   1HZ   LYS   6          1HZ       LYS   6  -0.354   0.213  12.071
  395   2HZ   LYS   6          2HZ       LYS   6  -1.820   0.396  11.250
  396   3HZ   LYS   6          3HZ       LYS   6  -0.476   1.313  10.793
  397    H    THR   7           H        THR   7   1.364  -3.959   6.479
  398    HA   THR   7           HA       THR   7   0.520  -3.300   3.817
  399    HB   THR   7           HB       THR   7  -1.112  -5.196   4.177
  400    HG1  THR   7           HG1      THR   7  -0.389  -6.486   6.141
  401   1HG2  THR   7          1HG2      THR   7   0.636  -6.929   4.158
  402   2HG2  THR   7          2HG2      THR   7   1.810  -5.742   4.725
  403   3HG2  THR   7          3HG2      THR   7   1.070  -5.561   3.136
  404    H    LEU   8           H        LEU   8  -2.137  -4.371   5.577
  405    HA   LEU   8           HA       LEU   8  -3.267  -1.659   5.779
  406   1HB   LEU   8          1HB       LEU   8  -4.606  -4.095   4.593
  407   2HB   LEU   8          2HB       LEU   8  -5.414  -2.575   4.926
  408    HG   LEU   8           HG       LEU   8  -3.065  -2.776   3.049
  409   1HD1  LEU   8          1HD1      LEU   8  -6.003  -2.953   2.402
  410   2HD1  LEU   8          2HD1      LEU   8  -4.807  -4.233   2.205
  411   3HD1  LEU   8          3HD1      LEU   8  -4.705  -2.773   1.222
  412   1HD2  LEU   8          1HD2      LEU   8  -4.025  -0.669   2.176
  413   2HD2  LEU   8          2HD2      LEU   8  -3.497  -0.548   3.852
  414   3HD2  LEU   8          3HD2      LEU   8  -5.213  -0.705   3.475
  415    H    THR   9           H        THR   9  -2.458  -4.383   7.369
  416    HA   THR   9           HA       THR   9  -4.661  -4.142   9.304
  417    HB   THR   9           HB       THR   9  -3.733  -6.458  10.057
  418    HG1  THR   9           HG1      THR   9  -2.818  -7.592   8.202
  419   1HG2  THR   9          1HG2      THR   9  -5.234  -6.114   7.456
  420   2HG2  THR   9          2HG2      THR   9  -5.935  -6.204   9.072
  421   3HG2  THR   9          3HG2      THR   9  -5.139  -7.616   8.376
  422    H    GLY  10           H        GLY  10  -1.768  -5.887   9.994
  423   1HA   GLY  10          1HA       GLY  10  -0.652  -3.641  11.526
  424   2HA   GLY  10          2HA       GLY  10  -1.000  -5.154  12.355
  425    H    LYS  11           H        LYS  11  -0.264  -6.176   9.436
  426    HA   LYS  11           HA       LYS  11   2.202  -7.293  10.086
  427   1HB   LYS  11          1HB       LYS  11   0.830  -8.302   8.404
  428   2HB   LYS  11          2HB       LYS  11   0.843  -6.842   7.431
  429   1HG   LYS  11          1HG       LYS  11   3.118  -7.157   6.833
  430   2HG   LYS  11          2HG       LYS  11   3.311  -8.458   8.009
  431   1HD   LYS  11          2HD       LYS  11   1.312  -8.637   5.773
  432   2HD   LYS  11          1HD       LYS  11   2.999  -9.104   5.547
  433   1HE   LYS  11          2HE       LYS  11   1.224 -10.223   7.710
  434   2HE   LYS  11          1HE       LYS  11   1.439 -10.981   6.133
  435   1HZ   LYS  11          1HZ       LYS  11   3.514 -10.522   8.199
  436   2HZ   LYS  11          2HZ       LYS  11   3.864 -11.041   6.624
  437   3HZ   LYS  11          3HZ       LYS  11   2.920 -12.007   7.649
  438    H    THR  12           H        THR  12   3.919  -6.143  10.550
  439    HA   THR  12           HA       THR  12   4.753  -4.024   8.681
  440    HB   THR  12           HB       THR  12   5.540  -4.056  11.589
  441    HG1  THR  12           HG1      THR  12   3.089  -3.870  10.910
  442   1HG2  THR  12          1HG2      THR  12   5.844  -1.639  11.183
  443   2HG2  THR  12          2HG2      THR  12   5.373  -1.878   9.501
  444   3HG2  THR  12          3HG2      THR  12   6.845  -2.627  10.119
  445    H    ILE  13           H        ILE  13   6.394  -4.812   7.534
  446    HA   ILE  13           HA       ILE  13   8.283  -6.629   8.866
  447    HB   ILE  13           HB       ILE  13   9.012  -7.286   6.598
  448   1HG1  ILE  13          1HG1      ILE  13   6.653  -5.688   5.591
  449   2HG1  ILE  13          2HG1      ILE  13   8.314  -5.112   5.517
  450   1HG2  ILE  13          1HG2      ILE  13   7.330  -8.602   7.742
  451   2HG2  ILE  13          2HG2      ILE  13   6.996  -8.564   6.010
  452   3HG2  ILE  13          3HG2      ILE  13   6.056  -7.558   7.113
  453   1HD1  ILE  13          1HD1      ILE  13   8.922  -6.943   4.068
  454   2HD1  ILE  13          2HD1      ILE  13   7.542  -6.071   3.398
  455   3HD1  ILE  13          3HD1      ILE  13   7.299  -7.621   4.203
  456    H    THR  14           H        THR  14  10.476  -6.262   8.777
  457    HA   THR  14           HA       THR  14  11.235  -3.485   8.397
  458    HB   THR  14           HB       THR  14  13.516  -4.629   9.213
  459    HG1  THR  14           HG1      THR  14  12.918  -6.728   9.372
  460   1HG2  THR  14          1HG2      THR  14  12.861  -4.100  11.513
  461   2HG2  THR  14          2HG2      THR  14  11.168  -4.058  11.027
  462   3HG2  THR  14          3HG2      THR  14  12.295  -2.856  10.397
  463    H    LEU  15           H        LEU  15  12.465  -2.764   6.739
  464    HA   LEU  15           HA       LEU  15  13.703  -4.785   5.005
  465   1HB   LEU  15          1HB       LEU  15  11.477  -3.410   4.289
  466   2HB   LEU  15          2HB       LEU  15  12.729  -2.341   3.680
  467    HG   LEU  15           HG       LEU  15  13.694  -4.360   2.478
  468   1HD1  LEU  15          1HD1      LEU  15  12.586  -6.100   3.757
  469   2HD1  LEU  15          2HD1      LEU  15  12.135  -6.211   2.055
  470   3HD1  LEU  15          3HD1      LEU  15  11.011  -5.516   3.222
  471   1HD2  LEU  15          1HD2      LEU  15  12.461  -2.639   1.301
  472   2HD2  LEU  15          2HD2      LEU  15  10.932  -3.398   1.746
  473   3HD2  LEU  15          3HD2      LEU  15  12.045  -4.227   0.658
  474    H    GLU  16           H        GLU  16  15.728  -4.405   4.451
  475    HA   GLU  16           HA       GLU  16  16.922  -1.865   5.298
  476   1HB   GLU  16          1HB       GLU  16  18.310  -4.481   4.689
  477   2HB   GLU  16          2HB       GLU  16  19.034  -3.048   5.406
  478   1HG   GLU  16          1HG       GLU  16  17.477  -3.305   7.333
  479   2HG   GLU  16          2HG       GLU  16  16.943  -4.831   6.635
  480    H    VAL  17           H        VAL  17  16.961  -0.472   3.670
  481    HA   VAL  17           HA       VAL  17  18.106  -1.324   1.104
  482    HB   VAL  17           HB       VAL  17  16.419   0.137  -0.076
  483   1HG1  VAL  17          1HG1      VAL  17  15.292  -2.270   1.342
  484   2HG1  VAL  17          2HG1      VAL  17  16.281  -2.309  -0.118
  485   3HG1  VAL  17          3HG1      VAL  17  14.685  -1.556  -0.153
  486   1HG2  VAL  17          1HG2      VAL  17  15.046  -0.022   2.601
  487   2HG2  VAL  17          2HG2      VAL  17  14.258   0.487   1.107
  488   3HG2  VAL  17          3HG2      VAL  17  15.595   1.432   1.766
  489    H    GLU  18           H        GLU  18  18.560   0.658  -0.296
  490    HA   GLU  18           HA       GLU  18  19.595   2.814   1.428
  491   1HB   GLU  18          1HB       GLU  18  20.514   1.777  -1.257
  492   2HB   GLU  18          2HB       GLU  18  21.129   3.257  -0.536
  493   1HG   GLU  18          1HG       GLU  18  21.365   0.484   0.614
  494   2HG   GLU  18          2HG       GLU  18  22.653   1.418  -0.145
  495    HA   PRO  19           HA       PRO  19  16.936   5.804  -0.460
  496   1HB   PRO  19          1HB       PRO  19  19.296   7.500  -1.059
  497   2HB   PRO  19          2HB       PRO  19  17.855   7.874  -0.107
  498   1HG   PRO  19          1HG       PRO  19  20.191   7.424   1.088
  499   2HG   PRO  19          2HG       PRO  19  18.677   6.825   1.793
  500   1HD   PRO  19          1HD       PRO  19  20.769   5.333   0.252
  501   2HD   PRO  19          2HD       PRO  19  19.854   4.832   1.689
  502    H    SER  20           H        SER  20  19.822   4.857  -2.181
  503    HA   SER  20           HA       SER  20  18.925   5.877  -4.723
  504   1HB   SER  20          1HB       SER  20  21.028   4.145  -5.216
  505   2HB   SER  20          2HB       SER  20  21.170   5.877  -4.912
  506    HG   SER  20           HG       SER  20  22.118   5.427  -3.101
  507    H    ASP  21           H        ASP  21  17.817   3.381  -2.971
  508    HA   ASP  21           HA       ASP  21  17.834   1.348  -5.022
  509   1HB   ASP  21          1HB       ASP  21  16.898   1.517  -2.213
  510   2HB   ASP  21          2HB       ASP  21  16.034   0.398  -3.264
  511    H    THR  22           H        THR  22  16.321   0.928  -6.464
  512    HA   THR  22           HA       THR  22  14.188   2.807  -6.861
  513    HB   THR  22           HB       THR  22  13.683   0.874  -8.679
  514    HG1  THR  22           HG1      THR  22  15.458  -0.294  -9.136
  515   1HG2  THR  22          1HG2      THR  22  15.150   2.144 -10.226
  516   2HG2  THR  22          2HG2      THR  22  15.844   2.981  -8.838
  517   3HG2  THR  22          3HG2      THR  22  14.137   3.190  -9.233
  518    H    ILE  23           H        ILE  23  11.948   2.263  -6.973
  519    HA   ILE  23           HA       ILE  23  10.983   0.797  -4.805
  520    HB   ILE  23           HB       ILE  23   9.468   1.529  -7.313
  521   1HG1  ILE  23          1HG1      ILE  23  10.492   3.512  -6.397
  522   2HG1  ILE  23          2HG1      ILE  23   8.778   3.537  -6.002
  523   1HG2  ILE  23          1HG2      ILE  23   8.444   1.003  -4.527
  524   2HG2  ILE  23          2HG2      ILE  23   8.332  -0.118  -5.885
  525   3HG2  ILE  23          3HG2      ILE  23   7.480   1.426  -5.944
  526   1HD1  ILE  23          1HD1      ILE  23  10.079   4.290  -4.125
  527   2HD1  ILE  23          2HD1      ILE  23  11.036   2.810  -4.153
  528   3HD1  ILE  23          3HD1      ILE  23   9.324   2.743  -3.738
  529    H    GLU  24           H        GLU  24  11.614  -0.176  -8.107
  530    HA   GLU  24           HA       GLU  24  10.186  -2.576  -8.171
  531   1HB   GLU  24          1HB       GLU  24  11.189  -1.611 -10.174
  532   2HB   GLU  24          2HB       GLU  24  12.799  -1.877  -9.524
  533   1HG   GLU  24          1HG       GLU  24  12.448  -4.284  -9.598
  534   2HG   GLU  24          2HG       GLU  24  10.819  -4.036 -10.219
  535    H    ASN  25           H        ASN  25  13.452  -1.862  -6.987
  536    HA   ASN  25           HA       ASN  25  14.126  -4.560  -6.386
  537   1HB   ASN  25          1HB       ASN  25  15.801  -2.713  -6.679
  538   2HB   ASN  25          2HB       ASN  25  15.286  -2.063  -5.123
  539   1HD2  ASN  25          1HD2      ASN  25  17.310  -2.355  -4.180
  540   2HD2  ASN  25          2HD2      ASN  25  17.919  -3.928  -3.789
  541    H    VAL  26           H        VAL  26  12.599  -1.949  -4.611
  542    HA   VAL  26           HA       VAL  26  12.650  -3.071  -2.038
  543    HB   VAL  26           HB       VAL  26  10.519  -1.281  -3.238
  544   1HG1  VAL  26          1HG1      VAL  26  10.046  -0.630  -0.935
  545   2HG1  VAL  26          2HG1      VAL  26  11.248  -1.781  -0.354
  546   3HG1  VAL  26          3HG1      VAL  26   9.795  -2.360  -1.168
  547   1HG2  VAL  26          1HG2      VAL  26  11.772   0.566  -2.245
  548   2HG2  VAL  26          2HG2      VAL  26  12.751  -0.305  -3.427
  549   3HG2  VAL  26          3HG2      VAL  26  13.014  -0.561  -1.702
  550    H    LYS  27           H        LYS  27  10.294  -3.325  -4.672
  551    HA   LYS  27           HA       LYS  27   8.405  -4.933  -3.350
  552   1HB   LYS  27          1HB       LYS  27   9.094  -4.675  -6.281
  553   2HB   LYS  27          2HB       LYS  27   7.730  -5.613  -5.685
  554   1HG   LYS  27          1HG       LYS  27   6.710  -3.632  -4.771
  555   2HG   LYS  27          2HG       LYS  27   8.122  -2.667  -5.204
  556   1HD   LYS  27          2HD       LYS  27   7.710  -3.079  -7.565
  557   2HD   LYS  27          1HD       LYS  27   6.343  -4.118  -7.162
  558   1HE   LYS  27          2HE       LYS  27   5.107  -2.276  -6.276
  559   2HE   LYS  27          1HE       LYS  27   6.511  -1.215  -6.383
  560   1HZ   LYS  27          1HZ       LYS  27   4.900  -0.859  -8.178
  561   2HZ   LYS  27          2HZ       LYS  27   5.146  -2.442  -8.717
  562   3HZ   LYS  27          3HZ       LYS  27   6.422  -1.323  -8.764
  563    H    ALA  28           H        ALA  28  11.232  -5.750  -5.304
  564    HA   ALA  28           HA       ALA  28  10.881  -8.537  -5.354
  565   1HB   ALA  28          1HB       ALA  28  13.250  -8.646  -5.950
  566   2HB   ALA  28          2HB       ALA  28  13.453  -6.962  -5.467
  567   3HB   ALA  28          3HB       ALA  28  12.425  -7.366  -6.841
  568    H    LYS  29           H        LYS  29  12.488  -6.413  -3.050
  569    HA   LYS  29           HA       LYS  29  13.629  -8.445  -1.450
  570   1HB   LYS  29          1HB       LYS  29  13.058  -5.538  -1.097
  571   2HB   LYS  29          2HB       LYS  29  13.473  -6.491   0.321
  572   1HG   LYS  29          1HG       LYS  29  15.591  -7.081  -0.607
  573   2HG   LYS  29          2HG       LYS  29  15.162  -6.375  -2.167
  574   1HD   LYS  29          2HD       LYS  29  15.157  -4.171  -1.241
  575   2HD   LYS  29          1HD       LYS  29  15.339  -4.800   0.397
  576   1HE   LYS  29          2HE       LYS  29  17.407  -5.545  -1.587
  577   2HE   LYS  29          1HE       LYS  29  17.388  -3.874  -1.031
  578   1HZ   LYS  29          1HZ       LYS  29  17.436  -6.213   0.788
  579   2HZ   LYS  29          2HZ       LYS  29  17.647  -4.585   1.211
  580   3HZ   LYS  29          3HZ       LYS  29  18.823  -5.382   0.291
  581    H    ILE  30           H        ILE  30  10.507  -6.812  -1.391
  582    HA   ILE  30           HA       ILE  30   9.625  -7.903   1.075
  583    HB   ILE  30           HB       ILE  30   8.025  -6.867  -1.274
  584   1HG1  ILE  30          1HG1      ILE  30   8.680  -5.541   1.364
  585   2HG1  ILE  30          2HG1      ILE  30   9.569  -5.253  -0.126
  586   1HG2  ILE  30          1HG2      ILE  30   7.122  -7.476   1.540
  587   2HG2  ILE  30          2HG2      ILE  30   6.653  -8.350   0.081
  588   3HG2  ILE  30          3HG2      ILE  30   6.152  -6.673   0.306
  589   1HD1  ILE  30          1HD1      ILE  30   6.653  -4.674   0.322
  590   2HD1  ILE  30          2HD1      ILE  30   7.555  -4.365  -1.161
  591   3HD1  ILE  30          3HD1      ILE  30   7.960  -3.490   0.316
  592    H    GLN  31           H        GLN  31   9.330  -8.911  -2.291
  593    HA   GLN  31           HA       GLN  31   7.651 -11.154  -1.810
  594   1HB   GLN  31          1HB       GLN  31   7.858 -10.102  -4.022
  595   2HB   GLN  31          2HB       GLN  31   9.545 -10.588  -4.103
  596   1HG   GLN  31          1HG       GLN  31   8.753 -12.969  -3.937
  597   2HG   GLN  31          2HG       GLN  31   7.117 -12.354  -4.151
  598   1HE2  GLN  31          1HE2      GLN  31   6.852 -13.467  -6.079
  599   2HE2  GLN  31          2HE2      GLN  31   7.650 -12.996  -7.539
  600    H    ASP  32           H        ASP  32  11.054 -10.593  -1.617
  601    HA   ASP  32           HA       ASP  32  11.946 -13.272  -1.776
  602   1HB   ASP  32          1HB       ASP  32  13.400 -11.306  -2.118
  603   2HB   ASP  32          2HB       ASP  32  13.259 -10.920  -0.407
  604    H    LYS  33           H        LYS  33  10.963 -11.251   0.974
  605    HA   LYS  33           HA       LYS  33  11.566 -13.498   2.751
  606   1HB   LYS  33          1HB       LYS  33  11.121 -11.853   4.598
  607   2HB   LYS  33          2HB       LYS  33  12.503 -11.499   3.574
  608   1HG   LYS  33          1HG       LYS  33  11.350  -9.751   2.468
  609   2HG   LYS  33          2HG       LYS  33   9.811 -10.226   3.188
  610   1HD   LYS  33          2HD       LYS  33  10.665  -8.279   4.333
  611   2HD   LYS  33          1HD       LYS  33  10.724  -9.667   5.421
  612   1HE   LYS  33          2HE       LYS  33  13.156  -9.919   4.554
  613   2HE   LYS  33          1HE       LYS  33  12.966  -8.252   4.026
  614   1HZ   LYS  33          1HZ       LYS  33  12.482  -9.137   6.812
  615   2HZ   LYS  33          2HZ       LYS  33  12.601  -7.548   6.241
  616   3HZ   LYS  33          3HZ       LYS  33  13.968  -8.544   6.267
  617    H    GLU  34           H        GLU  34   8.810 -11.484   1.771
  618    HA   GLU  34           HA       GLU  34   7.061 -13.013   3.523
  619   1HB   GLU  34          1HB       GLU  34   6.559 -10.674   1.688
  620   2HB   GLU  34          2HB       GLU  34   5.276 -11.499   2.564
  621   1HG   GLU  34          1HG       GLU  34   7.644 -10.127   3.822
  622   2HG   GLU  34          2HG       GLU  34   6.015  -9.463   3.702
  623    H    GLY  35           H        GLY  35   7.296 -12.337   0.029
  624   1HA   GLY  35          1HA       GLY  35   7.132 -14.226  -1.505
  625   2HA   GLY  35          2HA       GLY  35   5.934 -14.920  -0.423
  626    H    ILE  36           H        ILE  36   5.332 -11.695  -0.528
  627    HA   ILE  36           HA       ILE  36   2.960 -12.002  -2.063
  628    HB   ILE  36           HB       ILE  36   4.238  -9.399  -1.215
  629   1HG1  ILE  36          1HG1      ILE  36   2.183 -10.956   0.357
  630   2HG1  ILE  36          2HG1      ILE  36   3.911 -11.115   0.650
  631   1HG2  ILE  36          1HG2      ILE  36   1.374 -10.141  -1.828
  632   2HG2  ILE  36          2HG2      ILE  36   2.436  -9.143  -2.822
  633   3HG2  ILE  36          3HG2      ILE  36   1.919  -8.570  -1.236
  634   1HD1  ILE  36          1HD1      ILE  36   2.728  -9.547   2.178
  635   2HD1  ILE  36          2HD1      ILE  36   2.431  -8.507   0.786
  636   3HD1  ILE  36          3HD1      ILE  36   4.083  -8.832   1.304
  637    HA   PRO  37           HA       PRO  37   4.887 -11.400  -6.070
  638   1HB   PRO  37          1HB       PRO  37   2.088 -10.942  -6.914
  639   2HB   PRO  37          2HB       PRO  37   3.267 -12.107  -7.522
  640   1HG   PRO  37          1HG       PRO  37   1.208 -12.885  -6.006
  641   2HG   PRO  37          2HG       PRO  37   2.803 -13.647  -5.856
  642   1HD   PRO  37          1HD       PRO  37   1.496 -11.616  -4.090
  643   2HD   PRO  37          2HD       PRO  37   2.501 -13.013  -3.653
  644    HA   PRO  38           HA       PRO  38   5.261  -6.945  -6.015
  645   1HB   PRO  38          1HB       PRO  38   5.999  -7.447  -8.861
  646   2HB   PRO  38          2HB       PRO  38   6.840  -6.495  -7.629
  647   1HG   PRO  38          1HG       PRO  38   7.738  -8.900  -8.301
  648   2HG   PRO  38          2HG       PRO  38   7.745  -8.375  -6.607
  649   1HD   PRO  38          1HD       PRO  38   5.907 -10.271  -7.998
  650   2HD   PRO  38          2HD       PRO  38   6.540 -10.322  -6.342
  651    H    ASP  39           H        ASP  39   3.468  -8.671  -8.506
  652    HA   ASP  39           HA       ASP  39   2.239  -6.471  -9.749
  653   1HB   ASP  39          1HB       ASP  39   2.210  -8.685 -10.753
  654   2HB   ASP  39          2HB       ASP  39   1.255  -9.313  -9.414
  655    H    GLN  40           H        GLN  40   1.502  -8.203  -6.819
  656    HA   GLN  40           HA       GLN  40  -0.992  -6.704  -6.491
  657   1HB   GLN  40          1HB       GLN  40   0.148  -8.989  -4.866
  658   2HB   GLN  40          2HB       GLN  40  -1.424  -8.239  -4.613
  659   1HG   GLN  40          1HG       GLN  40  -2.248  -9.045  -6.675
  660   2HG   GLN  40          2HG       GLN  40  -0.639  -9.524  -7.208
  661   1HE2  GLN  40          1HE2      GLN  40  -1.929 -10.084  -4.001
  662   2HE2  GLN  40          2HE2      GLN  40  -2.001 -11.808  -4.127
  663    H    GLN  41           H        GLN  41   2.107  -6.127  -5.998
  664    HA   GLN  41           HA       GLN  41   1.925  -5.077  -3.280
  665   1HB   GLN  41          1HB       GLN  41   4.197  -5.304  -5.249
  666   2HB   GLN  41          2HB       GLN  41   4.342  -4.425  -3.738
  667   1HG   GLN  41          1HG       GLN  41   3.662  -6.593  -2.596
  668   2HG   GLN  41          2HG       GLN  41   3.962  -7.367  -4.155
  669   1HE2  GLN  41          1HE2      GLN  41   5.742  -8.540  -3.491
  670   2HE2  GLN  41          2HE2      GLN  41   7.251  -7.789  -3.094
  671    H    ARG  42           H        ARG  42   0.946  -3.138  -3.141
  672    HA   ARG  42           HA       ARG  42   1.725  -1.109  -5.123
  673   1HB   ARG  42          1HB       ARG  42  -0.772  -1.910  -4.921
  674   2HB   ARG  42          2HB       ARG  42  -0.785  -0.844  -3.523
  675   1HG   ARG  42          1HG       ARG  42   0.093   0.964  -5.056
  676   2HG   ARG  42          2HG       ARG  42  -0.283  -0.127  -6.390
  677   1HD   ARG  42          1HD       ARG  42  -2.627  -0.244  -5.516
  678   2HD   ARG  42          2HD       ARG  42  -2.198   1.030  -4.374
  679    HE   ARG  42           HE       ARG  42  -1.511   2.207  -6.635
  680   1HH1  ARG  42          1HH1      ARG  42  -4.359   0.300  -5.932
  681   2HH1  ARG  42          2HH1      ARG  42  -5.348   1.094  -7.121
  682   1HH2  ARG  42          1HH2      ARG  42  -2.813   3.280  -8.177
  683   2HH2  ARG  42          2HH2      ARG  42  -4.468   2.797  -8.388
  684    H    LEU  43           H        LEU  43   3.500  -0.445  -3.957
  685    HA   LEU  43           HA       LEU  43   3.334   0.308  -1.203
  686   1HB   LEU  43          1HB       LEU  43   5.433   0.752  -3.320
  687   2HB   LEU  43          2HB       LEU  43   5.607   1.320  -1.673
  688    HG   LEU  43           HG       LEU  43   5.131  -1.583  -2.287
  689   1HD1  LEU  43          1HD1      LEU  43   7.788  -0.176  -2.073
  690   2HD1  LEU  43          2HD1      LEU  43   7.106  -0.883  -3.537
  691   3HD1  LEU  43          3HD1      LEU  43   7.544  -1.919  -2.180
  692   1HD2  LEU  43          1HD2      LEU  43   6.386  -0.149   0.054
  693   2HD2  LEU  43          2HD2      LEU  43   6.188  -1.894  -0.104
  694   3HD2  LEU  43          3HD2      LEU  43   4.769  -0.854   0.017
  695    H    ILE  44           H        ILE  44   2.261   2.029  -0.550
  696    HA   ILE  44           HA       ILE  44   2.386   4.471  -2.203
  697    HB   ILE  44           HB       ILE  44   0.171   3.837  -0.260
  698   1HG1  ILE  44          1HG1      ILE  44   0.332   2.109  -2.094
  699   2HG1  ILE  44          2HG1      ILE  44  -1.182   3.005  -2.047
  700   1HG2  ILE  44          1HG2      ILE  44   0.281   6.145  -0.752
  701   2HG2  ILE  44          2HG2      ILE  44  -1.029   5.498  -1.739
  702   3HG2  ILE  44          3HG2      ILE  44   0.538   5.841  -2.470
  703   1HD1  ILE  44          1HD1      ILE  44  -0.296   4.458  -3.862
  704   2HD1  ILE  44          2HD1      ILE  44  -0.507   2.769  -4.320
  705   3HD1  ILE  44          3HD1      ILE  44   1.104   3.390  -3.963
  706    H    PHE  45           H        PHE  45   2.981   6.343  -1.229
  707    HA   PHE  45           HA       PHE  45   3.638   6.185   1.641
  708   1HB   PHE  45          1HB       PHE  45   5.631   6.341   0.205
  709   2HB   PHE  45          2HB       PHE  45   5.003   7.822  -0.508
  710    HD1  PHE  45           HD1      PHE  45   5.476   6.537   2.976
  711    HD2  PHE  45           HD2      PHE  45   6.110   9.692   0.190
  712    HE1  PHE  45           HE1      PHE  45   6.608   7.850   4.724
  713    HE2  PHE  45           HE2      PHE  45   7.239  11.009   1.932
  714    HZ   PHE  45           HZ       PHE  45   7.491  10.087   4.202
  715    H    ALA  46           H        ALA  46   1.949   7.102   2.608
  716    HA   ALA  46           HA       ALA  46   0.416   8.628   3.287
  717   1HB   ALA  46          1HB       ALA  46   2.470  10.565   2.235
  718   2HB   ALA  46          2HB       ALA  46   2.436   9.855   3.849
  719   3HB   ALA  46          3HB       ALA  46   1.155  10.958   3.344
  720    H    GLY  47           H        GLY  47   0.071   7.617   0.569
  721   1HA   GLY  47          1HA       GLY  47  -1.931   8.140  -0.684
  722   2HA   GLY  47          2HA       GLY  47  -1.581   9.843  -0.435
  723    H    LYS  48           H        LYS  48   1.350   9.122  -1.080
  724    HA   LYS  48           HA       LYS  48   1.056   9.568  -3.942
  725   1HB   LYS  48          1HB       LYS  48   3.419   9.676  -2.067
  726   2HB   LYS  48          2HB       LYS  48   3.585   9.836  -3.810
  727   1HG   LYS  48          1HG       LYS  48   2.186  11.814  -3.790
  728   2HG   LYS  48          2HG       LYS  48   1.931  11.635  -2.054
  729   1HD   LYS  48          2HD       LYS  48   4.282  12.000  -1.630
  730   2HD   LYS  48          1HD       LYS  48   4.619  12.039  -3.361
  731   1HE   LYS  48          2HE       LYS  48   4.550  14.288  -2.410
  732   2HE   LYS  48          1HE       LYS  48   3.268  14.046  -3.597
  733   1HZ   LYS  48          1HZ       LYS  48   2.958  13.946  -0.643
  734   2HZ   LYS  48          2HZ       LYS  48   1.723  13.656  -1.762
  735   3HZ   LYS  48          3HZ       LYS  48   2.428  15.190  -1.663
  736    H    GLN  49           H        GLN  49   1.300   8.030  -5.436
  737    HA   GLN  49           HA       GLN  49   2.016   5.356  -4.601
  738   1HB   GLN  49          1HB       GLN  49   0.161   5.765  -6.204
  739   2HB   GLN  49          2HB       GLN  49   1.331   6.374  -7.367
  740   1HG   GLN  49          1HG       GLN  49   2.392   4.220  -7.502
  741   2HG   GLN  49          2HG       GLN  49   1.352   3.589  -6.225
  742   1HE2  GLN  49          1HE2      GLN  49   1.565   4.524  -9.555
  743   2HE2  GLN  49          2HE2      GLN  49   0.062   3.829 -10.058
  744    H    LEU  50           H        LEU  50   3.965   4.479  -4.756
  745    HA   LEU  50           HA       LEU  50   6.145   6.048  -5.821
  746   1HB   LEU  50          1HB       LEU  50   6.371   3.249  -4.751
  747   2HB   LEU  50          2HB       LEU  50   7.577   4.520  -4.751
  748    HG   LEU  50           HG       LEU  50   5.096   4.438  -3.030
  749   1HD1  LEU  50          1HD1      LEU  50   6.610   4.091  -1.192
  750   2HD1  LEU  50          2HD1      LEU  50   8.003   4.199  -2.270
  751   3HD1  LEU  50          3HD1      LEU  50   6.883   2.843  -2.407
  752   1HD2  LEU  50          1HD2      LEU  50   5.588   6.723  -3.554
  753   2HD2  LEU  50          2HD2      LEU  50   7.305   6.478  -3.234
  754   3HD2  LEU  50          3HD2      LEU  50   6.144   6.401  -1.911
  755    H    GLU  51           H        GLU  51   6.767   5.961  -7.860
  756    HA   GLU  51           HA       GLU  51   5.891   3.883  -9.640
  757   1HB   GLU  51          1HB       GLU  51   6.023   6.140 -10.466
  758   2HB   GLU  51          2HB       GLU  51   7.715   6.259 -10.015
  759   1HG   GLU  51          1HG       GLU  51   8.012   4.275 -11.672
  760   2HG   GLU  51          2HG       GLU  51   6.462   4.825 -12.308
  761    H    ASP  52           H        ASP  52   7.064   2.292 -10.586
  762    HA   ASP  52           HA       ASP  52   9.028   0.946  -9.210
  763   1HB   ASP  52          1HB       ASP  52   7.973   0.855 -11.974
  764   2HB   ASP  52          2HB       ASP  52   9.533   0.085 -11.716
  765    H    GLY  53           H        GLY  53   9.475   3.218 -11.888
  766   1HA   GLY  53          1HA       GLY  53  12.321   2.816 -11.958
  767   2HA   GLY  53          2HA       GLY  53  11.406   3.979 -12.899
  768    H    ARG  54           H        ARG  54  10.559   4.375  -9.695
  769    HA   ARG  54           HA       ARG  54  12.435   6.628  -9.472
  770   1HB   ARG  54          1HB       ARG  54   9.803   6.129  -8.080
  771   2HB   ARG  54          2HB       ARG  54  10.840   7.516  -7.781
  772   1HG   ARG  54          1HG       ARG  54   9.475   6.832 -10.374
  773   2HG   ARG  54          2HG       ARG  54   9.005   8.106  -9.249
  774   1HD   ARG  54          1HD       ARG  54  10.287   9.456 -10.475
  775   2HD   ARG  54          2HD       ARG  54  11.665   8.631  -9.748
  776    HE   ARG  54           HE       ARG  54  10.617   7.292 -12.070
  777   1HH1  ARG  54          1HH1      ARG  54  12.762   9.831 -10.964
  778   2HH1  ARG  54          2HH1      ARG  54  13.788   9.758 -12.361
  779   1HH2  ARG  54          1HH2      ARG  54  11.967   7.190 -13.923
  780   2HH2  ARG  54          2HH2      ARG  54  13.329   8.258 -14.053
  781    H    THR  55           H        THR  55  13.188   7.157  -7.269
  782    HA   THR  55           HA       THR  55  13.808   4.677  -5.800
  783    HB   THR  55           HB       THR  55  15.703   6.014  -4.817
  784    HG1  THR  55           HG1      THR  55  14.781   7.875  -6.772
  785   1HG2  THR  55          1HG2      THR  55  17.116   5.891  -6.837
  786   2HG2  THR  55          2HG2      THR  55  15.667   5.679  -7.819
  787   3HG2  THR  55          3HG2      THR  55  16.117   4.452  -6.633
  788    H    LEU  56           H        LEU  56  14.423   5.343  -3.383
  789    HA   LEU  56           HA       LEU  56  11.973   6.117  -2.178
  790   1HB   LEU  56          1HB       LEU  56  14.710   5.726  -0.965
  791   2HB   LEU  56          2HB       LEU  56  13.221   5.893  -0.052
  792    HG   LEU  56           HG       LEU  56  13.624   3.683  -2.058
  793   1HD1  LEU  56          1HD1      LEU  56  14.232   2.238  -0.198
  794   2HD1  LEU  56          2HD1      LEU  56  14.209   3.623   0.895
  795   3HD1  LEU  56          3HD1      LEU  56  15.403   3.541  -0.400
  796   1HD2  LEU  56          1HD2      LEU  56  11.321   4.163  -1.391
  797   2HD2  LEU  56          2HD2      LEU  56  11.774   3.997   0.305
  798   3HD2  LEU  56          3HD2      LEU  56  11.856   2.602  -0.771
  799    H    SER  57           H        SER  57  15.081   7.755  -2.631
  800    HA   SER  57           HA       SER  57  14.429  10.006  -1.039
  801   1HB   SER  57          1HB       SER  57  16.312  10.963  -2.744
  802   2HB   SER  57          2HB       SER  57  16.680  10.006  -1.310
  803    HG   SER  57           HG       SER  57  16.612   9.227  -4.013
  804    H    ASP  58           H        ASP  58  13.385   9.027  -4.114
  805    HA   ASP  58           HA       ASP  58  13.012  11.591  -5.303
  806   1HB   ASP  58          1HB       ASP  58  11.990   8.834  -5.899
  807   2HB   ASP  58          2HB       ASP  58  11.297  10.226  -6.724
  808    H    TYR  59           H        TYR  59  11.226   9.697  -3.024
  809    HA   TYR  59           HA       TYR  59   8.972  11.586  -3.243
  810   1HB   TYR  59          1HB       TYR  59   9.034   8.769  -2.144
  811   2HB   TYR  59          2HB       TYR  59   7.639   9.840  -2.056
  812    HD1  TYR  59           HD1      TYR  59   9.701   7.756  -4.240
  813    HD2  TYR  59           HD2      TYR  59   6.345  10.364  -4.051
  814    HE1  TYR  59           HE1      TYR  59   8.974   6.971  -6.451
  815    HE2  TYR  59           HE2      TYR  59   5.613   9.591  -6.267
  816    HH   TYR  59           HH       TYR  59   6.417   8.519  -8.201
  817    H    ASN  60           H        ASN  60  11.631  11.600  -1.712
  818    HA   ASN  60           HA       ASN  60  12.439  12.394   0.245
  819   1HB   ASN  60          1HB       ASN  60  10.653  14.137  -0.180
  820   2HB   ASN  60          2HB       ASN  60   9.610  13.234   0.913
  821   1HD2  ASN  60          1HD2      ASN  60  13.082  13.727   1.255
  822   2HD2  ASN  60          2HD2      ASN  60  12.985  14.663   2.706
  823    H    ILE  61           H        ILE  61  11.680   9.669   0.111
  824    HA   ILE  61           HA       ILE  61  10.463   9.018   2.657
  825    HB   ILE  61           HB       ILE  61  11.701   7.216   0.567
  826   1HG1  ILE  61          1HG1      ILE  61   8.772   7.614   1.198
  827   2HG1  ILE  61          2HG1      ILE  61   9.608   8.530  -0.053
  828   1HG2  ILE  61          1HG2      ILE  61  11.750   6.213   2.803
  829   2HG2  ILE  61          2HG2      ILE  61  10.608   5.378   1.748
  830   3HG2  ILE  61          3HG2      ILE  61  10.020   6.506   2.970
  831   1HD1  ILE  61          1HD1      ILE  61   9.396   5.532   0.020
  832   2HD1  ILE  61          2HD1      ILE  61  10.071   6.517  -1.278
  833   3HD1  ILE  61          3HD1      ILE  61   8.348   6.600  -0.914
  834    H    GLN  62           H        GLN  62  11.681   9.373   4.385
  835    HA   GLN  62           HA       GLN  62  14.563   8.930   4.269
  836   1HB   GLN  62          1HB       GLN  62  12.805  10.154   6.406
  837   2HB   GLN  62          2HB       GLN  62  14.554  10.013   6.513
  838   1HG   GLN  62          1HG       GLN  62  14.855  11.493   4.659
  839   2HG   GLN  62          2HG       GLN  62  13.126  11.507   4.328
  840   1HE2  GLN  62          1HE2      GLN  62  15.634  12.583   6.495
  841   2HE2  GLN  62          2HE2      GLN  62  14.710  13.833   7.248
  842    H    LYS  63           H        LYS  63  15.248   8.214   6.746
  843    HA   LYS  63           HA       LYS  63  14.624   5.439   6.817
  844   1HB   LYS  63          1HB       LYS  63  16.071   5.405   8.824
  845   2HB   LYS  63          2HB       LYS  63  16.829   6.210   7.457
  846   1HG   LYS  63          1HG       LYS  63  16.516   8.346   8.414
  847   2HG   LYS  63          2HG       LYS  63  15.403   7.714   9.628
  848   1HD   LYS  63          2HD       LYS  63  17.316   6.340  10.510
  849   2HD   LYS  63          1HD       LYS  63  18.369   7.261   9.435
  850   1HE   LYS  63          2HE       LYS  63  18.270   8.123  11.780
  851   2HE   LYS  63          1HE       LYS  63  17.849   9.303  10.540
  852   1HZ   LYS  63          1HZ       LYS  63  15.610   9.208  11.099
  853   2HZ   LYS  63          2HZ       LYS  63  16.377   9.143  12.604
  854   3HZ   LYS  63          3HZ       LYS  63  15.755   7.726  11.915
  855    H    GLU  64           H        GLU  64  13.719   4.270   8.572
  856    HA   GLU  64           HA       GLU  64  12.196   3.764  10.159
  857   1HB   GLU  64          1HB       GLU  64  12.808   6.585  10.890
  858   2HB   GLU  64          2HB       GLU  64  11.392   5.835  11.612
  859   1HG   GLU  64          1HG       GLU  64  13.025   5.397  13.167
  860   2HG   GLU  64          2HG       GLU  64  13.017   3.915  12.216
  861    H    SER  65           H        SER  65  11.519   5.567   7.528
  862    HA   SER  65           HA       SER  65   8.824   6.333   8.066
  863   1HB   SER  65          1HB       SER  65  10.117   5.855   5.372
  864   2HB   SER  65          2HB       SER  65   8.674   6.814   5.697
  865    HG   SER  65           HG       SER  65  11.357   7.425   6.069
  866    H    THR  66           H        THR  66   6.925   5.297   7.545
  867    HA   THR  66           HA       THR  66   7.187   2.426   6.992
  868    HB   THR  66           HB       THR  66   4.737   3.757   8.125
  869    HG1  THR  66           HG1      THR  66   7.133   3.556   9.304
  870   1HG2  THR  66          1HG2      THR  66   4.262   1.531   8.978
  871   2HG2  THR  66          2HG2      THR  66   5.799   0.937   8.348
  872   3HG2  THR  66          3HG2      THR  66   4.533   1.459   7.236
  873    H    LEU  67           H        LEU  67   6.805   1.915   4.965
  874    HA   LEU  67           HA       LEU  67   5.098   3.564   3.289
  875   1HB   LEU  67          1HB       LEU  67   6.517   0.993   2.581
  876   2HB   LEU  67          2HB       LEU  67   5.845   2.169   1.468
  877    HG   LEU  67           HG       LEU  67   8.196   2.685   3.293
  878   1HD1  LEU  67          1HD1      LEU  67   9.546   2.566   1.266
  879   2HD1  LEU  67          2HD1      LEU  67   8.116   2.134   0.330
  880   3HD1  LEU  67          3HD1      LEU  67   8.725   1.035   1.568
  881   1HD2  LEU  67          1HD2      LEU  67   6.895   4.687   2.740
  882   2HD2  LEU  67          2HD2      LEU  67   7.051   4.308   1.024
  883   3HD2  LEU  67          3HD2      LEU  67   8.482   4.708   1.973
  884    H    HIS  68           H        HIS  68   3.091   2.954   2.553
  885    HA   HIS  68           HA       HIS  68   1.901   0.714   3.980
  886   1HB   HIS  68          1HB       HIS  68   0.901   3.207   2.829
  887   2HB   HIS  68          2HB       HIS  68  -0.122   1.819   2.469
  888    HD1  HIS  68           HD1      HIS  68  -0.714   0.325   4.754
  889    HD2  HIS  68           HD2      HIS  68   0.361   4.316   5.239
  890    HE1  HIS  68           HE1      HIS  68  -1.540   0.978   7.036
  891    HE2  HIS  68           HE2      HIS  68  -0.956   3.416   7.278
  892    H    LEU  69           H        LEU  69   2.110  -1.177   3.095
  893    HA   LEU  69           HA       LEU  69   2.274  -1.491   0.220
  894   1HB   LEU  69          1HB       LEU  69   3.762  -2.781   1.695
  895   2HB   LEU  69          2HB       LEU  69   2.368  -3.536   2.442
  896    HG   LEU  69           HG       LEU  69   1.797  -4.555   0.246
  897   1HD1  LEU  69          1HD1      LEU  69   4.463  -3.417  -0.582
  898   2HD1  LEU  69          2HD1      LEU  69   2.882  -2.969  -1.227
  899   3HD1  LEU  69          3HD1      LEU  69   3.520  -4.590  -1.500
  900   1HD2  LEU  69          1HD2      LEU  69   4.545  -5.168   1.326
  901   2HD2  LEU  69          2HD2      LEU  69   3.582  -6.236   0.303
  902   3HD2  LEU  69          3HD2      LEU  69   3.018  -5.820   1.921
  903    H    VAL  70           H        VAL  70   0.200  -0.855  -0.394
  904    HA   VAL  70           HA       VAL  70  -2.143  -2.102   0.676
  905    HB   VAL  70           HB       VAL  70  -1.834  -0.570  -1.917
  906   1HG1  VAL  70          1HG1      VAL  70  -4.295  -1.172  -0.285
  907   2HG1  VAL  70          2HG1      VAL  70  -3.865  -1.935  -1.816
  908   3HG1  VAL  70          3HG1      VAL  70  -4.234  -0.211  -1.762
  909   1HG2  VAL  70          1HG2      VAL  70  -1.130   0.782  -0.021
  910   2HG2  VAL  70          2HG2      VAL  70  -2.634   0.406   0.821
  911   3HG2  VAL  70          3HG2      VAL  70  -2.668   1.361  -0.660
  912    H    LEU  71           H        LEU  71  -2.329  -4.234   0.421
  913    HA   LEU  71           HA       LEU  71  -1.286  -5.657  -1.793
  914   1HB   LEU  71          1HB       LEU  71  -2.772  -6.297   0.651
  915   2HB   LEU  71          2HB       LEU  71  -3.155  -7.345  -0.700
  916    HG   LEU  71           HG       LEU  71  -0.691  -7.778  -0.956
  917   1HD1  LEU  71          1HD1      LEU  71   0.777  -7.262   0.880
  918   2HD1  LEU  71          2HD1      LEU  71  -0.537  -6.476   1.754
  919   3HD1  LEU  71          3HD1      LEU  71   0.067  -5.775   0.255
  920   1HD2  LEU  71          1HD2      LEU  71  -1.949  -9.490   0.037
  921   2HD2  LEU  71          2HD2      LEU  71  -2.182  -8.573   1.525
  922   3HD2  LEU  71          3HD2      LEU  71  -0.592  -9.225   1.131
  923    H    ARG  72           H        ARG  72  -2.031  -5.229  -3.742
  924    HA   ARG  72           HA       ARG  72  -4.834  -4.710  -4.228
  925   1HB   ARG  72          1HB       ARG  72  -3.105  -3.425  -5.406
  926   2HB   ARG  72          2HB       ARG  72  -2.497  -4.903  -6.134
  927   1HG   ARG  72          1HG       ARG  72  -4.560  -5.189  -7.364
  928   2HG   ARG  72          2HG       ARG  72  -5.251  -3.770  -6.571
  929   1HD   ARG  72          1HD       ARG  72  -4.416  -3.301  -8.855
  930   2HD   ARG  72          2HD       ARG  72  -3.625  -2.335  -7.612
  931    HE   ARG  72           HE       ARG  72  -2.155  -4.710  -8.186
  932   1HH1  ARG  72          1HH1      ARG  72  -2.845  -1.499  -9.379
  933   2HH1  ARG  72          2HH1      ARG  72  -1.344  -1.352 -10.238
  934   1HH2  ARG  72          1HH2      ARG  72  -0.159  -4.525  -9.300
  935   2HH2  ARG  72          2HH2      ARG  72   0.186  -3.069 -10.190
  936    H    LEU  73           H        LEU  73  -5.681  -6.747  -3.585
  937    HA   LEU  73           HA       LEU  73  -5.006  -9.030  -5.271
  938   1HB   LEU  73          1HB       LEU  73  -6.470  -8.672  -2.702
  939   2HB   LEU  73          2HB       LEU  73  -6.880 -10.054  -3.701
  940    HG   LEU  73           HG       LEU  73  -4.359 -10.571  -3.683
  941   1HD1  LEU  73          1HD1      LEU  73  -3.621  -8.434  -2.776
  942   2HD1  LEU  73          2HD1      LEU  73  -3.161  -9.769  -1.720
  943   3HD1  LEU  73          3HD1      LEU  73  -4.532  -8.742  -1.298
  944   1HD2  LEU  73          1HD2      LEU  73  -6.110 -10.835  -1.252
  945   2HD2  LEU  73          2HD2      LEU  73  -4.580 -11.686  -1.461
  946   3HD2  LEU  73          3HD2      LEU  73  -5.915 -11.990  -2.572
  947    H    ARG  74           H        ARG  74  -6.577 -10.171  -6.453
  948    HA   ARG  74           HA       ARG  74  -8.527  -8.448  -7.679
  949   1HB   ARG  74          1HB       ARG  74  -7.344 -11.096  -8.256
  950   2HB   ARG  74          2HB       ARG  74  -8.986 -10.850  -8.830
  951   1HG   ARG  74          1HG       ARG  74  -7.354 -10.304 -10.546
  952   2HG   ARG  74          2HG       ARG  74  -8.280  -8.879 -10.068
  953   1HD   ARG  74          1HD       ARG  74  -6.028  -8.181 -10.242
  954   2HD   ARG  74          2HD       ARG  74  -6.364  -8.319  -8.519
  955    HE   ARG  74           HE       ARG  74  -5.306 -10.709  -9.011
  956   1HH1  ARG  74          1HH1      ARG  74  -4.243  -7.509  -9.969
  957   2HH1  ARG  74          2HH1      ARG  74  -2.562  -7.964 -10.053
  958   1HH2  ARG  74          1HH2      ARG  74  -3.102 -11.296  -9.118
  959   2HH2  ARG  74          2HH2      ARG  74  -1.917 -10.103  -9.572
  960    H    GLY  75           H        GLY  75 -10.043  -8.049  -6.105
  961   1HA   GLY  75          1HA       GLY  75 -12.227  -9.822  -5.970
  962   2HA   GLY  75          2HA       GLY  75 -11.307  -9.922  -4.473
  963    H    GLY  76           H        GLY  76 -13.921  -9.047  -4.445
  964   1HA   GLY  76          1HA       GLY  76 -14.963  -7.377  -3.182
  965   2HA   GLY  76          2HA       GLY  76 -13.548  -6.355  -3.400
  Start of MODEL    6
    1    H    GLY  63           H        GLY  63 -26.696  10.449   2.722
    2   1HA   GLY  63          1HA       GLY  63 -27.445  11.350   0.003
    3   2HA   GLY  63          2HA       GLY  63 -25.803  11.320   0.626
    4    H    SER  64           H        SER  64 -24.774   9.727  -0.372
    5    HA   SER  64           HA       SER  64 -26.127   7.330  -1.196
    6   1HB   SER  64          1HB       SER  64 -23.152   7.778  -1.237
    7   2HB   SER  64          2HB       SER  64 -24.126   6.783  -2.321
    8    HG   SER  64           HG       SER  64 -23.510   8.773  -3.287
    9    H    GLN  65           H        GLN  65 -24.382   5.304  -0.825
   10    HA   GLN  65           HA       GLN  65 -24.737   4.745   1.998
   11   1HB   GLN  65          1HB       GLN  65 -23.929   3.033  -0.349
   12   2HB   GLN  65          2HB       GLN  65 -23.962   2.437   1.306
   13   1HG   GLN  65          1HG       GLN  65 -26.349   2.951   1.436
   14   2HG   GLN  65          2HG       GLN  65 -26.311   3.518  -0.232
   15   1HE2  GLN  65          1HE2      GLN  65 -26.088   0.747   1.860
   16   2HE2  GLN  65          2HE2      GLN  65 -26.354  -0.444   0.633
   17    H    TRP  66           H        TRP  66 -22.073   3.776  -0.137
   18    HA   TRP  66           HA       TRP  66 -20.241   4.202   2.092
   19   1HB   TRP  66          1HB       TRP  66 -19.807   2.762  -0.526
   20   2HB   TRP  66          2HB       TRP  66 -18.683   2.800   0.833
   21    HD1  TRP  66           HD1      TRP  66 -19.949   1.846   3.252
   22    HE1  TRP  66           HE1      TRP  66 -21.330  -0.314   3.488
   23    HE3  TRP  66           HE3      TRP  66 -21.160   1.117  -1.662
   24    HZ2  TRP  66           HZ2      TRP  66 -22.738  -2.096   1.811
   25    HZ3  TRP  66           HZ3      TRP  66 -22.528  -0.841  -2.263
   26    HH2  TRP  66           HH2      TRP  66 -23.298  -2.411  -0.560
   27    H    GLN  67           H        GLN  67 -21.245   5.937  -0.553
   28    HA   GLN  67           HA       GLN  67 -18.882   6.961  -1.617
   29   1HB   GLN  67          1HB       GLN  67 -21.387   7.344  -2.288
   30   2HB   GLN  67          2HB       GLN  67 -21.236   8.762  -1.260
   31   1HG   GLN  67          1HG       GLN  67 -19.572   9.706  -2.616
   32   2HG   GLN  67          2HG       GLN  67 -19.303   8.192  -3.478
   33   1HE2  GLN  67          1HE2      GLN  67 -19.926  10.807  -4.543
   34   2HE2  GLN  67          2HE2      GLN  67 -21.393  10.632  -5.447
   35    HA   PRO  68           HA       PRO  68 -19.051  10.446   1.830
   36   1HB   PRO  68          1HB       PRO  68 -20.283   8.927   4.053
   37   2HB   PRO  68          2HB       PRO  68 -20.522  10.609   3.571
   38   1HG   PRO  68          1HG       PRO  68 -22.402   8.769   3.130
   39   2HG   PRO  68          2HG       PRO  68 -22.088  10.069   1.965
   40   1HD   PRO  68          1HD       PRO  68 -21.255   7.194   1.869
   41   2HD   PRO  68          2HD       PRO  68 -21.834   8.244   0.561
   42    H    GLN  69           H        GLN  69 -18.697   7.029   2.354
   43    HA   GLN  69           HA       GLN  69 -16.620   7.269   4.334
   44   1HB   GLN  69          1HB       GLN  69 -17.570   4.903   2.702
   45   2HB   GLN  69          2HB       GLN  69 -16.380   4.808   3.992
   46   1HG   GLN  69          1HG       GLN  69 -19.164   5.849   4.419
   47   2HG   GLN  69          2HG       GLN  69 -18.737   4.146   4.580
   48   1HE2  GLN  69          1HE2      GLN  69 -19.207   4.057   6.735
   49   2HE2  GLN  69          2HE2      GLN  69 -18.243   4.837   7.942
   50    H    LEU  70           H        LEU  70 -16.878   6.698   0.869
   51    HA   LEU  70           HA       LEU  70 -14.167   6.167   0.341
   52   1HB   LEU  70          1HB       LEU  70 -16.207   7.516  -1.434
   53   2HB   LEU  70          2HB       LEU  70 -14.665   6.880  -1.973
   54    HG   LEU  70           HG       LEU  70 -16.960   5.257  -0.867
   55   1HD1  LEU  70          1HD1      LEU  70 -17.244   4.454  -3.097
   56   2HD1  LEU  70          2HD1      LEU  70 -15.822   5.335  -3.653
   57   3HD1  LEU  70          3HD1      LEU  70 -17.266   6.215  -3.146
   58   1HD2  LEU  70          1HD2      LEU  70 -14.928   4.179  -0.243
   59   2HD2  LEU  70          2HD2      LEU  70 -14.221   4.459  -1.834
   60   3HD2  LEU  70          3HD2      LEU  70 -15.564   3.331  -1.652
   61    H    GLN  71           H        GLN  71 -15.962   9.111   0.819
   62    HA   GLN  71           HA       GLN  71 -14.172  11.006  -0.155
   63   1HB   GLN  71          1HB       GLN  71 -16.332  11.749   0.481
   64   2HB   GLN  71          2HB       GLN  71 -16.176  11.074   2.095
   65   1HG   GLN  71          1HG       GLN  71 -14.212  12.782   2.298
   66   2HG   GLN  71          2HG       GLN  71 -15.051  13.586   0.975
   67   1HE2  GLN  71          1HE2      GLN  71 -17.000  14.563   1.345
   68   2HE2  GLN  71          2HE2      GLN  71 -17.653  14.802   2.928
   69    H    GLN  72           H        GLN  72 -14.283   9.317   2.929
   70    HA   GLN  72           HA       GLN  72 -12.258  10.788   4.235
   71   1HB   GLN  72          1HB       GLN  72 -13.218   7.953   4.648
   72   2HB   GLN  72          2HB       GLN  72 -12.120   8.793   5.734
   73   1HG   GLN  72          1HG       GLN  72 -14.897   9.740   5.070
   74   2HG   GLN  72          2HG       GLN  72 -14.483   8.773   6.482
   75   1HE2  GLN  72          1HE2      GLN  72 -14.341  11.900   5.010
   76   2HE2  GLN  72          2HE2      GLN  72 -13.726  12.749   6.384
   77    H    LEU  73           H        LEU  73 -12.227   8.015   2.104
   78    HA   LEU  73           HA       LEU  73  -9.449   7.415   2.446
   79   1HB   LEU  73          1HB       LEU  73 -11.409   6.649   0.278
   80   2HB   LEU  73          2HB       LEU  73  -9.777   6.023   0.402
   81    HG   LEU  73           HG       LEU  73 -11.791   5.673   2.611
   82   1HD1  LEU  73          1HD1      LEU  73 -12.288   3.487   1.721
   83   2HD1  LEU  73          2HD1      LEU  73 -11.201   3.764   0.360
   84   3HD1  LEU  73          3HD1      LEU  73 -12.675   4.718   0.520
   85   1HD2  LEU  73          1HD2      LEU  73  -9.217   4.276   1.884
   86   2HD2  LEU  73          2HD2      LEU  73 -10.313   3.758   3.163
   87   3HD2  LEU  73          3HD2      LEU  73  -9.500   5.318   3.277
   88    H    ARG  74           H        ARG  74 -11.386   9.085   0.010
   89    HA   ARG  74           HA       ARG  74  -9.329   9.754  -1.767
   90   1HB   ARG  74          1HB       ARG  74 -11.937  11.154  -1.160
   91   2HB   ARG  74          2HB       ARG  74 -10.892  11.575  -2.507
   92   1HG   ARG  74          1HG       ARG  74 -11.238   9.446  -3.535
   93   2HG   ARG  74          2HG       ARG  74 -12.096   8.845  -2.114
   94   1HD   ARG  74          1HD       ARG  74 -13.880  10.444  -2.477
   95   2HD   ARG  74          2HD       ARG  74 -13.006  11.146  -3.839
   96    HE   ARG  74           HE       ARG  74 -13.296   8.508  -4.488
   97   1HH1  ARG  74          1HH1      ARG  74 -15.497  11.091  -3.629
   98   2HH1  ARG  74          2HH1      ARG  74 -16.795  10.485  -4.610
   99   1HH2  ARG  74          1HH2      ARG  74 -15.009   7.687  -5.770
  100   2HH2  ARG  74          2HH2      ARG  74 -16.524   8.544  -5.813
  101    H    ASP  75           H        ASP  75 -10.577  11.406   1.085
  102    HA   ASP  75           HA       ASP  75  -9.031  13.765   0.800
  103   1HB   ASP  75          1HB       ASP  75 -11.119  13.358   2.255
  104   2HB   ASP  75          2HB       ASP  75 -10.000  12.683   3.435
  105    H    MET  76           H        MET  76  -8.323  10.612   2.000
  106    HA   MET  76           HA       MET  76  -5.994  11.429   3.504
  107   1HB   MET  76          1HB       MET  76  -7.527   8.981   3.139
  108   2HB   MET  76          2HB       MET  76  -5.792   8.690   3.081
  109   1HG   MET  76          1HG       MET  76  -5.566   9.864   5.242
  110   2HG   MET  76          2HG       MET  76  -7.321  10.020   5.306
  111   1HE   MET  76          1HE       MET  76  -4.909   6.119   5.697
  112   2HE   MET  76          2HE       MET  76  -4.237   7.746   5.590
  113   3HE   MET  76          3HE       MET  76  -4.964   6.996   4.169
  114    H    GLY  77           H        GLY  77  -6.758  10.451   0.288
  115   1HA   GLY  77          1HA       GLY  77  -5.004  11.197  -1.330
  116   2HA   GLY  77          2HA       GLY  77  -3.873  10.306  -0.323
  117    H    ILE  78           H        ILE  78  -6.624   8.537  -0.275
  118    HA   ILE  78           HA       ILE  78  -5.553   6.474  -1.893
  119    HB   ILE  78           HB       ILE  78  -8.369   6.787  -0.840
  120   1HG1  ILE  78          1HG1      ILE  78  -6.568   6.758   0.899
  121   2HG1  ILE  78          2HG1      ILE  78  -7.691   5.409   1.015
  122   1HG2  ILE  78          1HG2      ILE  78  -8.341   5.203  -2.648
  123   2HG2  ILE  78          2HG2      ILE  78  -8.504   4.333  -1.123
  124   3HG2  ILE  78          3HG2      ILE  78  -6.947   4.375  -1.953
  125   1HD1  ILE  78          1HD1      ILE  78  -6.033   3.987  -0.140
  126   2HD1  ILE  78          2HD1      ILE  78  -5.457   4.628   1.399
  127   3HD1  ILE  78          3HD1      ILE  78  -4.906   5.342  -0.116
  128    H    GLN  79           H        GLN  79  -5.468   6.478  -4.007
  129    HA   GLN  79           HA       GLN  79  -7.307   8.085  -5.569
  130   1HB   GLN  79          1HB       GLN  79  -5.813   7.212  -7.485
  131   2HB   GLN  79          2HB       GLN  79  -5.132   8.363  -6.347
  132   1HG   GLN  79          1HG       GLN  79  -4.527   5.938  -5.205
  133   2HG   GLN  79          2HG       GLN  79  -4.361   5.622  -6.928
  134   1HE2  GLN  79          1HE2      GLN  79  -2.748   6.608  -8.075
  135   2HE2  GLN  79          2HE2      GLN  79  -1.449   7.471  -7.324
  136    H    ASP  80           H        ASP  80  -6.800   4.778  -4.740
  137    HA   ASP  80           HA       ASP  80  -8.456   3.767  -6.903
  138   1HB   ASP  80          1HB       ASP  80  -7.893   1.893  -4.730
  139   2HB   ASP  80          2HB       ASP  80  -7.534   1.759  -6.447
  140    H    ASP  81           H        ASP  81 -10.143   5.346  -5.968
  141    HA   ASP  81           HA       ASP  81 -11.486   4.589  -3.569
  142   1HB   ASP  81          1HB       ASP  81 -13.070   6.289  -4.066
  143   2HB   ASP  81          2HB       ASP  81 -11.508   6.897  -4.600
  144    H    GLU  82           H        GLU  82 -11.933   3.774  -6.972
  145    HA   GLU  82           HA       GLU  82 -14.499   2.592  -6.650
  146   1HB   GLU  82          1HB       GLU  82 -12.390   2.047  -8.746
  147   2HB   GLU  82          2HB       GLU  82 -14.054   1.499  -8.820
  148   1HG   GLU  82          1HG       GLU  82 -14.783   3.859  -8.794
  149   2HG   GLU  82          2HG       GLU  82 -13.091   4.345  -8.867
  150    H    LEU  83           H        LEU  83 -11.208   1.313  -6.584
  151    HA   LEU  83           HA       LEU  83 -11.909  -1.397  -6.241
  152   1HB   LEU  83          1HB       LEU  83  -9.620  -0.289  -6.807
  153   2HB   LEU  83          2HB       LEU  83  -9.427  -0.176  -5.071
  154    HG   LEU  83           HG       LEU  83  -8.375  -2.174  -6.316
  155   1HD1  LEU  83          1HD1      LEU  83  -8.794  -3.674  -4.410
  156   2HD1  LEU  83          2HD1      LEU  83 -10.087  -2.602  -3.870
  157   3HD1  LEU  83          3HD1      LEU  83  -8.419  -2.027  -3.901
  158   1HD2  LEU  83          1HD2      LEU  83 -10.487  -2.706  -7.556
  159   2HD2  LEU  83          2HD2      LEU  83 -11.157  -3.280  -6.028
  160   3HD2  LEU  83          3HD2      LEU  83  -9.744  -4.071  -6.722
  161    H    SER  84           H        SER  84 -11.369   1.252  -3.996
  162    HA   SER  84           HA       SER  84 -11.568  -0.288  -1.628
  163   1HB   SER  84          1HB       SER  84 -12.070   2.671  -2.022
  164   2HB   SER  84          2HB       SER  84 -11.768   1.865  -0.483
  165    HG   SER  84           HG       SER  84  -9.991   2.229  -2.660
  166    H    LEU  85           H        LEU  85 -13.909   1.274  -3.714
  167    HA   LEU  85           HA       LEU  85 -16.133   1.274  -2.013
  168   1HB   LEU  85          1HB       LEU  85 -15.935   2.369  -4.276
  169   2HB   LEU  85          2HB       LEU  85 -16.160   0.790  -4.997
  170    HG   LEU  85           HG       LEU  85 -18.168   2.466  -4.759
  171   1HD1  LEU  85          1HD1      LEU  85 -18.408  -0.466  -4.116
  172   2HD1  LEU  85          2HD1      LEU  85 -18.361   0.256  -5.723
  173   3HD1  LEU  85          3HD1      LEU  85 -19.725   0.576  -4.651
  174   1HD2  LEU  85          1HD2      LEU  85 -17.822   2.712  -2.292
  175   2HD2  LEU  85          2HD2      LEU  85 -18.358   1.041  -2.115
  176   3HD2  LEU  85          3HD2      LEU  85 -19.456   2.254  -2.772
  177    H    ARG  86           H        ARG  86 -14.799  -1.215  -4.110
  178    HA   ARG  86           HA       ARG  86 -16.842  -3.130  -3.747
  179   1HB   ARG  86          1HB       ARG  86 -13.911  -3.489  -4.420
  180   2HB   ARG  86          2HB       ARG  86 -15.126  -4.757  -4.537
  181   1HG   ARG  86          1HG       ARG  86 -16.301  -3.544  -6.251
  182   2HG   ARG  86          2HG       ARG  86 -15.224  -2.159  -6.061
  183   1HD   ARG  86          1HD       ARG  86 -14.635  -3.497  -8.021
  184   2HD   ARG  86          2HD       ARG  86 -13.341  -3.498  -6.823
  185    HE   ARG  86           HE       ARG  86 -15.109  -5.730  -6.533
  186   1HH1  ARG  86          1HH1      ARG  86 -12.385  -4.515  -8.364
  187   2HH1  ARG  86          2HH1      ARG  86 -11.756  -6.087  -8.731
  188   1HH2  ARG  86          1HH2      ARG  86 -14.288  -7.808  -7.008
  189   2HH2  ARG  86          2HH2      ARG  86 -12.845  -7.966  -7.958
  190    H    ALA  87           H        ALA  87 -13.961  -2.305  -1.946
  191    HA   ALA  87           HA       ALA  87 -14.060  -4.537  -0.163
  192   1HB   ALA  87          1HB       ALA  87 -11.977  -3.334  -0.595
  193   2HB   ALA  87          2HB       ALA  87 -12.376  -3.305   1.121
  194   3HB   ALA  87          3HB       ALA  87 -12.657  -1.876   0.127
  195    H    LEU  88           H        LEU  88 -15.258  -1.232  -0.148
  196    HA   LEU  88           HA       LEU  88 -16.143  -1.089   2.513
  197   1HB   LEU  88          1HB       LEU  88 -16.576   0.396   0.024
  198   2HB   LEU  88          2HB       LEU  88 -17.964   0.421   1.091
  199    HG   LEU  88           HG       LEU  88 -16.612   2.380   1.478
  200   1HD1  LEU  88          1HD1      LEU  88 -16.326   2.241   3.838
  201   2HD1  LEU  88          2HD1      LEU  88 -16.167   0.487   3.772
  202   3HD1  LEU  88          3HD1      LEU  88 -17.714   1.245   3.405
  203   1HD2  LEU  88          1HD2      LEU  88 -14.307   2.150   2.377
  204   2HD2  LEU  88          2HD2      LEU  88 -14.475   1.656   0.692
  205   3HD2  LEU  88          3HD2      LEU  88 -14.365   0.437   1.962
  206    H    GLN  89           H        GLN  89 -17.624  -2.341  -0.410
  207    HA   GLN  89           HA       GLN  89 -20.200  -2.825   0.636
  208   1HB   GLN  89          1HB       GLN  89 -19.936  -2.817  -1.731
  209   2HB   GLN  89          2HB       GLN  89 -18.653  -4.015  -1.666
  210   1HG   GLN  89          1HG       GLN  89 -21.074  -5.066  -0.517
  211   2HG   GLN  89          2HG       GLN  89 -21.370  -4.448  -2.141
  212   1HE2  GLN  89          1HE2      GLN  89 -20.309  -5.390  -3.886
  213   2HE2  GLN  89          2HE2      GLN  89 -19.543  -6.936  -3.777
  214    H    ALA  90           H        ALA  90 -17.257  -4.744   0.495
  215    HA   ALA  90           HA       ALA  90 -18.365  -7.154   1.478
  216   1HB   ALA  90          1HB       ALA  90 -15.549  -6.106   1.377
  217   2HB   ALA  90          2HB       ALA  90 -16.315  -7.272   0.298
  218   3HB   ALA  90          3HB       ALA  90 -15.956  -7.715   1.967
  219    H    THR  91           H        THR  91 -16.906  -4.352   3.042
  220    HA   THR  91           HA       THR  91 -16.924  -5.615   5.639
  221    HB   THR  91           HB       THR  91 -16.099  -3.465   6.478
  222    HG1  THR  91           HG1      THR  91 -15.597  -1.909   4.635
  223   1HG2  THR  91          1HG2      THR  91 -14.760  -4.395   3.937
  224   2HG2  THR  91          2HG2      THR  91 -14.487  -5.029   5.560
  225   3HG2  THR  91          3HG2      THR  91 -14.008  -3.378   5.162
  226    H    GLY  92           H        GLY  92 -19.093  -3.750   3.758
  227   1HA   GLY  92          1HA       GLY  92 -21.364  -3.446   4.227
  228   2HA   GLY  92          2HA       GLY  92 -21.051  -3.860   5.908
  229    H    GLY  93           H        GLY  93 -18.723  -1.710   5.042
  230   1HA   GLY  93          1HA       GLY  93 -19.209   0.751   4.757
  231   2HA   GLY  93          2HA       GLY  93 -20.340   0.532   6.082
  232    H    ASP  94           H        ASP  94 -17.095  -0.841   5.770
  233    HA   ASP  94           HA       ASP  94 -16.260   0.854   8.029
  234   1HB   ASP  94          1HB       ASP  94 -16.719  -1.592   8.610
  235   2HB   ASP  94          2HB       ASP  94 -15.298  -1.976   7.641
  236    H    ILE  95           H        ILE  95 -14.481   1.987   7.687
  237    HA   ILE  95           HA       ILE  95 -13.124   1.846   5.174
  238    HB   ILE  95           HB       ILE  95 -12.684   3.535   7.631
  239   1HG1  ILE  95          1HG1      ILE  95 -14.706   4.042   6.367
  240   2HG1  ILE  95          2HG1      ILE  95 -13.534   5.340   6.176
  241   1HG2  ILE  95          1HG2      ILE  95 -10.527   3.293   6.609
  242   2HG2  ILE  95          2HG2      ILE  95 -11.152   4.899   6.233
  243   3HG2  ILE  95          3HG2      ILE  95 -11.198   3.625   5.013
  244   1HD1  ILE  95          1HD1      ILE  95 -12.869   4.103   4.012
  245   2HD1  ILE  95          2HD1      ILE  95 -14.348   5.062   4.042
  246   3HD1  ILE  95          3HD1      ILE  95 -14.433   3.307   4.191
  247    H    GLN  96           H        GLN  96 -12.055   1.349   8.536
  248    HA   GLN  96           HA       GLN  96  -9.407   0.674   7.990
  249   1HB   GLN  96          1HB       GLN  96 -10.176   1.187  10.233
  250   2HB   GLN  96          2HB       GLN  96 -11.208  -0.236  10.237
  251   1HG   GLN  96          1HG       GLN  96  -9.202  -1.657  10.085
  252   2HG   GLN  96          2HG       GLN  96  -8.201  -0.207  10.166
  253   1HE2  GLN  96          1HE2      GLN  96 -10.403  -2.263  11.915
  254   2HE2  GLN  96          2HE2      GLN  96  -9.989  -1.692  13.496
  255    H    ALA  97           H        ALA  97 -12.261  -1.422   8.283
  256    HA   ALA  97           HA       ALA  97 -10.834  -3.841   7.846
  257   1HB   ALA  97          1HB       ALA  97 -13.012  -4.871   7.600
  258   2HB   ALA  97          2HB       ALA  97 -13.767  -3.288   7.433
  259   3HB   ALA  97          3HB       ALA  97 -13.019  -3.751   8.960
  260    H    ALA  98           H        ALA  98 -12.173  -1.433   5.727
  261    HA   ALA  98           HA       ALA  98 -12.361  -3.005   3.379
  262   1HB   ALA  98          1HB       ALA  98 -13.482  -0.851   3.557
  263   2HB   ALA  98          2HB       ALA  98 -12.388  -0.867   2.174
  264   3HB   ALA  98          3HB       ALA  98 -11.924  -0.031   3.656
  265    H    LEU  99           H        LEU  99  -9.767  -1.117   4.835
  266    HA   LEU  99           HA       LEU  99  -7.925  -1.286   2.724
  267   1HB   LEU  99          1HB       LEU  99  -7.790  -0.728   5.634
  268   2HB   LEU  99          2HB       LEU  99  -6.297  -1.258   4.884
  269    HG   LEU  99           HG       LEU  99  -6.380   1.163   4.971
  270   1HD1  LEU  99          1HD1      LEU  99  -5.752   1.628   2.767
  271   2HD1  LEU  99          2HD1      LEU  99  -6.846   0.414   2.106
  272   3HD1  LEU  99          3HD1      LEU  99  -5.402  -0.088   2.983
  273   1HD2  LEU  99          1HD2      LEU  99  -8.058   2.425   3.706
  274   2HD2  LEU  99          2HD2      LEU  99  -8.787   1.482   5.004
  275   3HD2  LEU  99          3HD2      LEU  99  -8.903   0.921   3.336
  276    H    GLU 100           H        GLU 100  -8.789  -3.509   5.285
  277    HA   GLU 100           HA       GLU 100  -6.641  -5.335   4.849
  278   1HB   GLU 100          1HB       GLU 100  -9.312  -6.009   6.075
  279   2HB   GLU 100          2HB       GLU 100  -7.762  -6.782   6.372
  280   1HG   GLU 100          1HG       GLU 100  -6.965  -4.729   7.458
  281   2HG   GLU 100          2HG       GLU 100  -8.545  -3.994   7.192
  282    H    LEU 101           H        LEU 101  -9.890  -4.941   3.602
  283    HA   LEU 101           HA       LEU 101 -10.115  -7.453   2.319
  284   1HB   LEU 101          1HB       LEU 101 -11.583  -4.934   2.380
  285   2HB   LEU 101          2HB       LEU 101 -11.628  -5.703   0.805
  286    HG   LEU 101           HG       LEU 101 -13.567  -6.321   2.149
  287   1HD1  LEU 101          1HD1      LEU 101 -11.700  -8.662   1.833
  288   2HD1  LEU 101          2HD1      LEU 101 -12.613  -7.918   0.521
  289   3HD1  LEU 101          3HD1      LEU 101 -13.462  -8.700   1.855
  290   1HD2  LEU 101          1HD2      LEU 101 -13.324  -7.679   4.157
  291   2HD2  LEU 101          2HD2      LEU 101 -12.562  -6.103   4.362
  292   3HD2  LEU 101          3HD2      LEU 101 -11.570  -7.530   4.058
  293    H    ILE 102           H        ILE 102  -8.637  -4.420   1.429
  294    HA   ILE 102           HA       ILE 102  -8.305  -4.988  -1.336
  295    HB   ILE 102           HB       ILE 102  -6.642  -3.167   0.420
  296   1HG1  ILE 102          1HG1      ILE 102  -9.018  -2.521  -1.342
  297   2HG1  ILE 102          2HG1      ILE 102  -9.076  -2.642   0.413
  298   1HG2  ILE 102          1HG2      ILE 102  -6.956  -3.237  -2.581
  299   2HG2  ILE 102          2HG2      ILE 102  -5.520  -3.719  -1.677
  300   3HG2  ILE 102          3HG2      ILE 102  -6.044  -2.034  -1.669
  301   1HD1  ILE 102          1HD1      ILE 102  -7.584  -0.614  -1.230
  302   2HD1  ILE 102          2HD1      ILE 102  -7.417  -0.786   0.516
  303   3HD1  ILE 102          3HD1      ILE 102  -8.973  -0.340  -0.181
  304    H    PHE 103           H        PHE 103  -6.591  -5.851   1.549
  305    HA   PHE 103           HA       PHE 103  -4.175  -6.731   0.304
  306   1HB   PHE 103          1HB       PHE 103  -4.732  -6.143   2.818
  307   2HB   PHE 103          2HB       PHE 103  -5.150  -7.850   2.909
  308    HD1  PHE 103           HD1      PHE 103  -2.437  -5.439   2.386
  309    HD2  PHE 103           HD2      PHE 103  -3.449  -9.546   2.852
  310    HE1  PHE 103           HE1      PHE 103  -0.063  -5.976   2.742
  311    HE2  PHE 103           HE2      PHE 103  -1.074 -10.089   3.212
  312    HZ   PHE 103           HZ       PHE 103   0.619  -8.304   3.157
  313    H    ALA 104           H        ALA 104  -7.331  -7.991   0.654
  314    HA   ALA 104           HA       ALA 104  -6.523 -10.747   0.155
  315   1HB   ALA 104          1HB       ALA 104  -8.922 -11.249   0.358
  316   2HB   ALA 104          2HB       ALA 104  -9.259  -9.526   0.534
  317   3HB   ALA 104          3HB       ALA 104  -8.313 -10.371   1.761
  318    H    GLY 105           H        GLY 105  -7.908  -7.985  -1.446
  319   1HA   GLY 105          1HA       GLY 105  -8.204  -7.520  -3.673
  320   2HA   GLY 105          2HA       GLY 105  -7.266  -8.963  -4.027
  321    H    GLY 106           H        GLY 106 -10.401  -8.471  -2.418
  322   1HA   GLY 106          1HA       GLY 106 -12.129  -9.173  -4.409
  323   2HA   GLY 106          2HA       GLY 106 -11.532 -10.713  -3.804
  324    H    ALA 107           H        ALA 107 -14.201  -9.312  -3.702
  325    HA   ALA 107           HA       ALA 107 -14.581  -9.056  -0.813
  326   1HB   ALA 107          1HB       ALA 107 -16.836  -8.225  -1.431
  327   2HB   ALA 107          2HB       ALA 107 -16.410  -8.434  -3.128
  328   3HB   ALA 107          3HB       ALA 107 -15.526  -7.274  -2.135
  329    HA   PRO 108           HA       PRO 108 -16.142 -13.214  -0.612
  330   1HB   PRO 108          1HB       PRO 108 -17.331 -13.024   1.832
  331   2HB   PRO 108          2HB       PRO 108 -15.586 -13.196   1.615
  332   1HG   PRO 108          1HG       PRO 108 -17.198 -10.727   2.144
  333   2HG   PRO 108          2HG       PRO 108 -15.647 -11.224   2.846
  334   1HD   PRO 108          1HD       PRO 108 -15.810  -9.407   0.859
  335   2HD   PRO 108          2HD       PRO 108 -14.445 -10.532   1.005
  336   1H    MET   1          1H        MET   1  19.337   4.254   1.316
  337   2H    MET   1          2H        MET   1  20.706   3.886   2.242
  338   3H    MET   1          3H        MET   1  20.481   5.453   1.654
  339    HA   MET   1           HA       MET   1  19.993   5.228   4.028
  340   1HB   MET   1          1HB       MET   1  17.906   6.466   3.982
  341   2HB   MET   1          2HB       MET   1  18.942   7.002   2.669
  342   1HG   MET   1          1HG       MET   1  17.659   5.639   1.103
  343   2HG   MET   1          2HG       MET   1  16.619   5.107   2.424
  344   1HE   MET   1          1HE       MET   1  15.496   6.376  -0.249
  345   2HE   MET   1          2HE       MET   1  14.278   7.489   0.374
  346   3HE   MET   1          3HE       MET   1  14.455   5.886   1.088
  347    H    GLN   2           H        GLN   2  18.603   4.432   5.647
  348    HA   GLN   2           HA       GLN   2  17.623   1.765   5.043
  349   1HB   GLN   2          1HB       GLN   2  19.062   1.927   6.947
  350   2HB   GLN   2          2HB       GLN   2  18.110   3.239   7.628
  351   1HG   GLN   2          1HG       GLN   2  16.324   1.783   8.169
  352   2HG   GLN   2          2HG       GLN   2  17.019   0.470   7.219
  353   1HE2  GLN   2          1HE2      GLN   2  17.337   2.375  10.129
  354   2HE2  GLN   2          2HE2      GLN   2  18.344   1.257  10.984
  355    H    ILE   3           H        ILE   3  15.599   1.489   4.459
  356    HA   ILE   3           HA       ILE   3  13.511   3.129   5.740
  357    HB   ILE   3           HB       ILE   3  12.128   2.866   3.729
  358   1HG1  ILE   3          1HG1      ILE   3  14.532   1.891   2.218
  359   2HG1  ILE   3          2HG1      ILE   3  13.475   0.739   3.032
  360   1HG2  ILE   3          1HG2      ILE   3  13.367   4.408   2.269
  361   2HG2  ILE   3          2HG2      ILE   3  14.834   4.085   3.194
  362   3HG2  ILE   3          3HG2      ILE   3  13.461   4.877   3.966
  363   1HD1  ILE   3          1HD1      ILE   3  12.851   0.948   0.716
  364   2HD1  ILE   3          2HD1      ILE   3  12.681   2.696   0.886
  365   3HD1  ILE   3          3HD1      ILE   3  11.577   1.615   1.736
  366    H    PHE   4           H        PHE   4  11.397   2.009   5.916
  367    HA   PHE   4           HA       PHE   4  11.744  -0.909   6.127
  368   1HB   PHE   4          1HB       PHE   4  10.275   0.904   8.053
  369   2HB   PHE   4          2HB       PHE   4  10.317  -0.853   8.147
  370    HD1  PHE   4           HD1      PHE   4  12.056   2.229   8.863
  371    HD2  PHE   4           HD2      PHE   4  12.453  -2.002   8.659
  372    HE1  PHE   4           HE1      PHE   4  14.102   2.359  10.222
  373    HE2  PHE   4           HE2      PHE   4  14.500  -1.880  10.016
  374    HZ   PHE   4           HZ       PHE   4  15.327   0.303  10.800
  375    H    VAL   5           H        VAL   5  10.289  -2.071   5.099
  376    HA   VAL   5           HA       VAL   5   7.846  -0.743   4.128
  377    HB   VAL   5           HB       VAL   5   9.001  -3.337   3.094
  378   1HG1  VAL   5          1HG1      VAL   5   7.663  -2.701   1.074
  379   2HG1  VAL   5          2HG1      VAL   5   6.966  -1.393   2.030
  380   3HG1  VAL   5          3HG1      VAL   5   6.711  -3.070   2.513
  381   1HG2  VAL   5          1HG2      VAL   5   9.892  -1.990   1.195
  382   2HG2  VAL   5          2HG2      VAL   5  10.710  -1.695   2.729
  383   3HG2  VAL   5          3HG2      VAL   5   9.531  -0.532   2.121
  384    H    LYS   6           H        LYS   6   6.072  -1.229   5.241
  385    HA   LYS   6           HA       LYS   6   5.943  -3.861   6.563
  386   1HB   LYS   6          1HB       LYS   6   6.239  -1.963   8.133
  387   2HB   LYS   6          2HB       LYS   6   4.738  -1.270   7.536
  388   1HG   LYS   6          1HG       LYS   6   3.518  -3.240   8.339
  389   2HG   LYS   6          2HG       LYS   6   5.032  -3.911   8.957
  390   1HD   LYS   6          2HD       LYS   6   5.290  -1.958  10.418
  391   2HD   LYS   6          1HD       LYS   6   3.770  -1.306   9.808
  392   1HE   LYS   6          2HE       LYS   6   2.569  -3.215  10.708
  393   2HE   LYS   6          1HE       LYS   6   4.083  -3.922  11.271
  394   1HZ   LYS   6          1HZ       LYS   6   4.386  -2.048  12.747
  395   2HZ   LYS   6          2HZ       LYS   6   2.896  -2.780  13.051
  396   3HZ   LYS   6          3HZ       LYS   6   2.962  -1.329  12.187
  397    H    THR   7           H        THR   7   4.301  -5.109   6.042
  398    HA   THR   7           HA       THR   7   2.243  -4.105   4.259
  399    HB   THR   7           HB       THR   7   1.551  -6.462   4.083
  400    HG1  THR   7           HG1      THR   7   2.648  -8.045   5.246
  401   1HG2  THR   7          1HG2      THR   7   3.678  -7.384   3.148
  402   2HG2  THR   7          2HG2      THR   7   4.516  -5.978   3.805
  403   3HG2  THR   7          3HG2      THR   7   3.277  -5.767   2.568
  404    H    LEU   8           H        LEU   8  -0.063  -4.944   4.728
  405    HA   LEU   8           HA       LEU   8  -0.936  -3.833   7.177
  406   1HB   LEU   8          1HB       LEU   8  -2.138  -4.316   4.828
  407   2HB   LEU   8          2HB       LEU   8  -2.721  -5.705   5.722
  408    HG   LEU   8           HG       LEU   8  -3.006  -3.021   6.984
  409   1HD1  LEU   8          1HD1      LEU   8  -5.173  -2.734   5.807
  410   2HD1  LEU   8          2HD1      LEU   8  -4.703  -4.037   4.714
  411   3HD1  LEU   8          3HD1      LEU   8  -3.763  -2.546   4.762
  412   1HD2  LEU   8          1HD2      LEU   8  -4.839  -5.409   6.861
  413   2HD2  LEU   8          2HD2      LEU   8  -4.989  -4.004   7.917
  414   3HD2  LEU   8          3HD2      LEU   8  -3.647  -5.129   8.128
  415    H    THR   9           H        THR   9   0.097  -6.989   6.292
  416    HA   THR   9           HA       THR   9  -1.249  -8.401   8.386
  417    HB   THR   9           HB       THR   9   0.915  -9.954   7.628
  418    HG1  THR   9           HG1      THR   9   1.012  -9.669   5.355
  419   1HG2  THR   9          1HG2      THR   9  -1.820  -9.776   6.358
  420   2HG2  THR   9          2HG2      THR   9  -1.406 -10.707   7.797
  421   3HG2  THR   9          3HG2      THR   9  -0.721 -11.148   6.232
  422    H    GLY  10           H        GLY  10   1.528  -6.432   8.227
  423   1HA   GLY  10          1HA       GLY  10   2.484  -5.716  10.342
  424   2HA   GLY  10          2HA       GLY  10   2.322  -7.372  10.908
  425    H    LYS  11           H        LYS  11   3.300  -7.811   7.885
  426    HA   LYS  11           HA       LYS  11   5.931  -8.551   8.590
  427   1HB   LYS  11          1HB       LYS  11   5.122  -9.799   6.827
  428   2HB   LYS  11          2HB       LYS  11   4.360  -8.418   6.055
  429   1HG   LYS  11          1HG       LYS  11   6.470  -7.642   5.225
  430   2HG   LYS  11          2HG       LYS  11   7.332  -8.874   6.143
  431   1HD   LYS  11          2HD       LYS  11   5.251  -9.637   4.128
  432   2HD   LYS  11          1HD       LYS  11   6.904  -9.276   3.629
  433   1HE   LYS  11          2HE       LYS  11   6.263 -11.271   5.785
  434   2HE   LYS  11          1HE       LYS  11   6.348 -11.713   4.081
  435   1HZ   LYS  11          1HZ       LYS  11   8.560 -10.447   5.602
  436   2HZ   LYS  11          2HZ       LYS  11   8.625 -11.017   4.005
  437   3HZ   LYS  11          3HZ       LYS  11   8.431 -12.105   5.289
  438    H    THR  12           H        THR  12   7.610  -7.275   8.911
  439    HA   THR  12           HA       THR  12   7.745  -4.721   7.444
  440    HB   THR  12           HB       THR  12   9.082  -5.204  10.096
  441    HG1  THR  12           HG1      THR  12   6.550  -5.338   9.855
  442   1HG2  THR  12          1HG2      THR  12   8.981  -2.746  10.231
  443   2HG2  THR  12          2HG2      THR  12   8.195  -2.697   8.653
  444   3HG2  THR  12          3HG2      THR  12   9.852  -3.281   8.795
  445    H    ILE  13           H        ILE  13   9.202  -4.921   5.873
  446    HA   ILE  13           HA       ILE  13  11.647  -6.465   6.437
  447    HB   ILE  13           HB       ILE  13  11.920  -6.742   4.027
  448   1HG1  ILE  13          1HG1      ILE  13   9.181  -5.541   3.646
  449   2HG1  ILE  13          2HG1      ILE  13  10.643  -4.569   3.522
  450   1HG2  ILE  13          1HG2      ILE  13  10.682  -8.428   5.279
  451   2HG2  ILE  13          2HG2      ILE  13  10.058  -8.275   3.636
  452   3HG2  ILE  13          3HG2      ILE  13   9.178  -7.554   4.986
  453   1HD1  ILE  13          1HD1      ILE  13  10.046  -6.997   1.855
  454   2HD1  ILE  13          2HD1      ILE  13  11.437  -5.927   1.695
  455   3HD1  ILE  13          3HD1      ILE  13   9.817  -5.324   1.344
  456    H    THR  14           H        THR  14  13.654  -5.634   5.825
  457    HA   THR  14           HA       THR  14  13.717  -2.708   5.616
  458    HB   THR  14           HB       THR  14  16.179  -4.359   6.050
  459    HG1  THR  14           HG1      THR  14  15.361  -5.166   7.820
  460   1HG2  THR  14          1HG2      THR  14  16.837  -2.449   7.420
  461   2HG2  THR  14          2HG2      THR  14  15.245  -1.723   7.195
  462   3HG2  THR  14          3HG2      THR  14  16.332  -1.911   5.818
  463    H    LEU  15           H        LEU  15  15.121  -1.705   4.048
  464    HA   LEU  15           HA       LEU  15  16.146  -3.424   1.932
  465   1HB   LEU  15          1HB       LEU  15  13.697  -2.640   1.519
  466   2HB   LEU  15          2HB       LEU  15  14.435  -1.089   1.165
  467    HG   LEU  15           HG       LEU  15  15.857  -2.293  -0.555
  468   1HD1  LEU  15          1HD1      LEU  15  15.443  -4.563   0.397
  469   2HD1  LEU  15          2HD1      LEU  15  15.150  -4.436  -1.335
  470   3HD1  LEU  15          3HD1      LEU  15  13.791  -4.457  -0.211
  471   1HD2  LEU  15          1HD2      LEU  15  13.898  -0.897  -1.094
  472   2HD2  LEU  15          2HD2      LEU  15  12.873  -2.327  -0.976
  473   3HD2  LEU  15          3HD2      LEU  15  14.114  -2.229  -2.226
  474    H    GLU  16           H        GLU  16  17.882  -2.600   0.874
  475    HA   GLU  16           HA       GLU  16  18.921  -0.060   1.892
  476   1HB   GLU  16          1HB       GLU  16  20.346  -2.235   0.339
  477   2HB   GLU  16          2HB       GLU  16  21.094  -0.811   1.051
  478   1HG   GLU  16          1HG       GLU  16  20.806  -1.594   3.223
  479   2HG   GLU  16          2HG       GLU  16  19.585  -2.770   2.736
  480    H    VAL  17           H        VAL  17  17.925   1.462   0.666
  481    HA   VAL  17           HA       VAL  17  18.647   1.505  -2.177
  482    HB   VAL  17           HB       VAL  17  16.382   2.619  -2.603
  483   1HG1  VAL  17          1HG1      VAL  17  16.508  -0.319  -1.945
  484   2HG1  VAL  17          2HG1      VAL  17  16.906   0.439  -3.488
  485   3HG1  VAL  17          3HG1      VAL  17  15.242   0.449  -2.903
  486   1HG2  VAL  17          1HG2      VAL  17  15.763   1.256   0.015
  487   2HG2  VAL  17          2HG2      VAL  17  14.556   1.901  -1.098
  488   3HG2  VAL  17          3HG2      VAL  17  15.703   2.989  -0.314
  489    H    GLU  18           H        GLU  18  18.469   3.694  -3.118
  490    HA   GLU  18           HA       GLU  18  19.098   5.725  -1.076
  491   1HB   GLU  18          1HB       GLU  18  19.902   5.661  -3.993
  492   2HB   GLU  18          2HB       GLU  18  20.414   6.847  -2.801
  493   1HG   GLU  18          1HG       GLU  18  21.058   3.906  -2.704
  494   2HG   GLU  18          2HG       GLU  18  22.140   5.165  -3.297
  495    HA   PRO  19           HA       PRO  19  15.585   8.172  -2.160
  496   1HB   PRO  19          1HB       PRO  19  17.400  10.481  -2.607
  497   2HB   PRO  19          2HB       PRO  19  16.004  10.337  -1.534
  498   1HG   PRO  19          1HG       PRO  19  18.479  10.300  -0.553
  499   2HG   PRO  19          2HG       PRO  19  17.216   9.250   0.118
  500   1HD   PRO  19          1HD       PRO  19  19.473   8.568  -1.725
  501   2HD   PRO  19          2HD       PRO  19  18.789   7.634  -0.379
  502    H    SER  20           H        SER  20  18.370   8.261  -4.267
  503    HA   SER  20           HA       SER  20  17.060   9.516  -6.473
  504   1HB   SER  20          1HB       SER  20  19.188   8.313  -7.610
  505   2HB   SER  20          2HB       SER  20  19.307   9.821  -6.703
  506    HG   SER  20           HG       SER  20  20.324   8.820  -5.145
  507    H    ASP  21           H        ASP  21  16.979   6.365  -5.201
  508    HA   ASP  21           HA       ASP  21  16.554   4.989  -7.690
  509   1HB   ASP  21          1HB       ASP  21  16.288   4.197  -4.799
  510   2HB   ASP  21          2HB       ASP  21  15.695   3.147  -6.081
  511    H    THR  22           H        THR  22  14.694   4.599  -8.713
  512    HA   THR  22           HA       THR  22  12.368   6.085  -7.975
  513    HB   THR  22           HB       THR  22  11.318   4.887  -9.929
  514    HG1  THR  22           HG1      THR  22  13.444   3.927 -11.126
  515   1HG2  THR  22          1HG2      THR  22  12.689   6.015 -11.628
  516   2HG2  THR  22          2HG2      THR  22  13.972   6.234 -10.440
  517   3HG2  THR  22          3HG2      THR  22  12.424   7.046 -10.222
  518    H    ILE  23           H        ILE  23  10.220   5.137  -7.662
  519    HA   ILE  23           HA       ILE  23  10.161   3.198  -5.636
  520    HB   ILE  23           HB       ILE  23   7.896   4.013  -7.469
  521   1HG1  ILE  23          1HG1      ILE  23   8.879   5.965  -6.386
  522   2HG1  ILE  23          2HG1      ILE  23   7.309   5.611  -5.673
  523   1HG2  ILE  23          1HG2      ILE  23   7.767   2.862  -4.686
  524   2HG2  ILE  23          2HG2      ILE  23   7.494   1.941  -6.165
  525   3HG2  ILE  23          3HG2      ILE  23   6.406   3.261  -5.734
  526   1HD1  ILE  23          1HD1      ILE  23   8.843   6.212  -3.938
  527   2HD1  ILE  23          2HD1      ILE  23  10.011   5.012  -4.490
  528   3HD1  ILE  23          3HD1      ILE  23   8.475   4.494  -3.794
  529    H    GLU  24           H        GLU  24  10.043   2.948  -9.102
  530    HA   GLU  24           HA       GLU  24   9.027   0.345  -9.364
  531   1HB   GLU  24          1HB       GLU  24   9.335   2.011 -11.215
  532   2HB   GLU  24          2HB       GLU  24  11.059   1.688 -11.150
  533   1HG   GLU  24          1HG       GLU  24  10.695  -0.613 -11.770
  534   2HG   GLU  24          2HG       GLU  24   8.950  -0.374 -11.735
  535    H    ASN  25           H        ASN  25  12.362   1.549  -9.057
  536    HA   ASN  25           HA       ASN  25  13.604  -0.985  -9.240
  537   1HB   ASN  25          1HB       ASN  25  14.732   1.284  -9.491
  538   2HB   ASN  25          2HB       ASN  25  14.714   1.384  -7.733
  539   1HD2  ASN  25          1HD2      ASN  25  16.977   1.412  -7.664
  540   2HD2  ASN  25          2HD2      ASN  25  17.909  -0.017  -7.950
  541    H    VAL  26           H        VAL  26  12.330   0.893  -6.563
  542    HA   VAL  26           HA       VAL  26  13.305  -0.675  -4.444
  543    HB   VAL  26           HB       VAL  26  10.745   0.936  -4.614
  544   1HG1  VAL  26          1HG1      VAL  26  10.777   0.940  -2.164
  545   2HG1  VAL  26          2HG1      VAL  26  12.165  -0.148  -2.183
  546   3HG1  VAL  26          3HG1      VAL  26  10.609  -0.693  -2.808
  547   1HG2  VAL  26          1HG2      VAL  26  12.000   2.676  -3.472
  548   2HG2  VAL  26          2HG2      VAL  26  12.796   2.238  -4.983
  549   3HG2  VAL  26          3HG2      VAL  26  13.435   1.652  -3.446
  550    H    LYS  27           H        LYS  27  10.282  -0.825  -6.272
  551    HA   LYS  27           HA       LYS  27   9.110  -2.995  -4.941
  552   1HB   LYS  27          1HB       LYS  27   8.822  -1.977  -7.766
  553   2HB   LYS  27          2HB       LYS  27   7.864  -3.309  -7.137
  554   1HG   LYS  27          1HG       LYS  27   6.990  -1.817  -5.381
  555   2HG   LYS  27          2HG       LYS  27   7.894  -0.482  -6.105
  556   1HD   LYS  27          2HD       LYS  27   6.636  -0.667  -8.145
  557   2HD   LYS  27          1HD       LYS  27   5.833  -2.128  -7.566
  558   1HE   LYS  27          2HE       LYS  27   4.795  -0.819  -5.766
  559   2HE   LYS  27          1HE       LYS  27   5.576   0.634  -6.388
  560   1HZ   LYS  27          1HZ       LYS  27   3.258   0.387  -7.125
  561   2HZ   LYS  27          2HZ       LYS  27   3.673  -1.036  -7.932
  562   3HZ   LYS  27          3HZ       LYS  27   4.350   0.442  -8.420
  563    H    ALA  28           H        ALA  28  11.377  -2.858  -7.624
  564    HA   ALA  28           HA       ALA  28  11.287  -5.539  -8.421
  565   1HB   ALA  28          1HB       ALA  28  13.385  -5.141  -9.514
  566   2HB   ALA  28          2HB       ALA  28  13.710  -3.746  -8.485
  567   3HB   ALA  28          3HB       ALA  28  12.400  -3.685  -9.662
  568    H    LYS  29           H        LYS  29  13.259  -3.930  -5.958
  569    HA   LYS  29           HA       LYS  29  14.826  -6.187  -5.299
  570   1HB   LYS  29          1HB       LYS  29  14.103  -3.817  -3.561
  571   2HB   LYS  29          2HB       LYS  29  15.409  -4.958  -3.258
  572   1HG   LYS  29          1HG       LYS  29  16.220  -4.210  -5.623
  573   2HG   LYS  29          2HG       LYS  29  15.214  -2.796  -5.295
  574   1HD   LYS  29          2HD       LYS  29  16.433  -2.433  -3.195
  575   2HD   LYS  29          1HD       LYS  29  17.453  -3.828  -3.557
  576   1HE   LYS  29          2HE       LYS  29  18.062  -2.651  -5.710
  577   2HE   LYS  29          1HE       LYS  29  17.276  -1.219  -5.042
  578   1HZ   LYS  29          1HZ       LYS  29  19.590  -2.657  -3.856
  579   2HZ   LYS  29          2HZ       LYS  29  18.820  -1.319  -3.162
  580   3HZ   LYS  29          3HZ       LYS  29  19.637  -1.157  -4.633
  581    H    ILE  30           H        ILE  30  11.746  -4.969  -4.103
  582    HA   ILE  30           HA       ILE  30  11.496  -6.798  -1.953
  583    HB   ILE  30           HB       ILE  30   9.313  -5.378  -3.503
  584   1HG1  ILE  30          1HG1      ILE  30  10.637  -4.619  -0.889
  585   2HG1  ILE  30          2HG1      ILE  30  11.022  -3.889  -2.442
  586   1HG2  ILE  30          1HG2      ILE  30   9.244  -6.679  -0.777
  587   2HG2  ILE  30          2HG2      ILE  30   8.444  -7.273  -2.232
  588   3HG2  ILE  30          3HG2      ILE  30   7.935  -5.749  -1.506
  589   1HD1  ILE  30          1HD1      ILE  30   8.367  -3.772  -1.034
  590   2HD1  ILE  30          2HD1      ILE  30   8.722  -3.070  -2.612
  591   3HD1  ILE  30          3HD1      ILE  30   9.542  -2.465  -1.173
  592    H    GLN  31           H        GLN  31  10.645  -6.891  -5.358
  593    HA   GLN  31           HA       GLN  31   9.128  -9.283  -5.299
  594   1HB   GLN  31          1HB       GLN  31   8.995  -7.747  -7.181
  595   2HB   GLN  31          2HB       GLN  31  10.700  -7.982  -7.535
  596   1HG   GLN  31          1HG       GLN  31  10.238 -10.350  -8.045
  597   2HG   GLN  31          2HG       GLN  31   8.524 -10.052  -7.764
  598   1HE2  GLN  31          1HE2      GLN  31   8.016 -10.662  -9.871
  599   2HE2  GLN  31          2HE2      GLN  31   8.348  -9.638 -11.226
  600    H    ASP  32           H        ASP  32  12.521  -8.582  -5.410
  601    HA   ASP  32           HA       ASP  32  13.358 -11.186  -6.237
  602   1HB   ASP  32          1HB       ASP  32  14.699  -9.138  -6.620
  603   2HB   ASP  32          2HB       ASP  32  14.969  -9.018  -4.884
  604    H    LYS  33           H        LYS  33  13.235  -9.525  -3.070
  605    HA   LYS  33           HA       LYS  33  14.219 -11.949  -1.803
  606   1HB   LYS  33          1HB       LYS  33  14.228 -10.635   0.283
  607   2HB   LYS  33          2HB       LYS  33  15.162  -9.888  -1.002
  608   1HG   LYS  33          1HG       LYS  33  13.619  -8.170  -1.293
  609   2HG   LYS  33          2HG       LYS  33  12.329  -9.064  -0.487
  610   1HD   LYS  33          2HD       LYS  33  13.074  -7.335   1.001
  611   2HD   LYS  33          1HD       LYS  33  13.622  -8.884   1.640
  612   1HE   LYS  33          2HE       LYS  33  15.834  -8.468   0.583
  613   2HE   LYS  33          1HE       LYS  33  15.269  -6.865   0.121
  614   1HZ   LYS  33          1HZ       LYS  33  14.973  -6.332   2.463
  615   2HZ   LYS  33          2HZ       LYS  33  16.568  -6.805   2.158
  616   3HZ   LYS  33          3HZ       LYS  33  15.499  -7.878   2.902
  617    H    GLU  34           H        GLU  34  11.207 -10.046  -1.797
  618    HA   GLU  34           HA       GLU  34  10.009 -11.960   0.040
  619   1HB   GLU  34          1HB       GLU  34   8.984  -9.400  -1.176
  620   2HB   GLU  34          2HB       GLU  34   8.002 -10.443  -0.158
  621   1HG   GLU  34          1HG       GLU  34  10.512  -8.983   0.618
  622   2HG   GLU  34          2HG       GLU  34   8.868  -8.655   1.163
  623    H    GLY  35           H        GLY  35  10.129 -11.343  -3.344
  624   1HA   GLY  35          1HA       GLY  35   9.342 -12.674  -5.064
  625   2HA   GLY  35          2HA       GLY  35   8.577 -13.706  -3.868
  626    H    ILE  36           H        ILE  36   7.885 -10.333  -3.752
  627    HA   ILE  36           HA       ILE  36   5.143 -10.906  -4.605
  628    HB   ILE  36           HB       ILE  36   6.139  -8.350  -3.353
  629   1HG1  ILE  36          1HG1      ILE  36   4.873 -10.650  -1.860
  630   2HG1  ILE  36          2HG1      ILE  36   6.617 -10.431  -1.959
  631   1HG2  ILE  36          1HG2      ILE  36   3.398  -9.600  -3.436
  632   2HG2  ILE  36          2HG2      ILE  36   3.952  -8.292  -4.480
  633   3HG2  ILE  36          3HG2      ILE  36   3.814  -8.034  -2.740
  634   1HD1  ILE  36          1HD1      ILE  36   6.448  -8.300  -0.838
  635   2HD1  ILE  36          2HD1      ILE  36   5.656  -9.551   0.122
  636   3HD1  ILE  36          3HD1      ILE  36   4.689  -8.422  -0.824
  637    HA   PRO  37           HA       PRO  37   6.119  -8.994  -8.566
  638   1HB   PRO  37          1HB       PRO  37   3.156  -8.943  -8.759
  639   2HB   PRO  37          2HB       PRO  37   4.343  -9.608  -9.884
  640   1HG   PRO  37          1HG       PRO  37   2.859 -11.217  -8.371
  641   2HG   PRO  37          2HG       PRO  37   4.568 -11.584  -8.679
  642   1HD   PRO  37          1HD       PRO  37   3.289 -10.409  -6.240
  643   2HD   PRO  37          2HD       PRO  37   4.591 -11.611  -6.363
  644    HA   PRO  38           HA       PRO  38   5.876  -4.712  -7.319
  645   1HB   PRO  38          1HB       PRO  38   6.038  -4.390 -10.282
  646   2HB   PRO  38          2HB       PRO  38   6.960  -3.579  -9.010
  647   1HG   PRO  38          1HG       PRO  38   8.070  -5.531 -10.408
  648   2HG   PRO  38          2HG       PRO  38   8.339  -5.423  -8.658
  649   1HD   PRO  38          1HD       PRO  38   6.582  -7.276 -10.198
  650   2HD   PRO  38          2HD       PRO  38   7.526  -7.577  -8.727
  651    H    ASP  39           H        ASP  39   3.916  -5.983  -9.974
  652    HA   ASP  39           HA       ASP  39   2.141  -3.816 -10.203
  653   1HB   ASP  39          1HB       ASP  39   2.227  -5.495 -11.937
  654   2HB   ASP  39          2HB       ASP  39   1.743  -6.752 -10.803
  655    H    GLN  40           H        GLN  40   2.192  -6.577  -8.048
  656    HA   GLN  40           HA       GLN  40  -0.430  -5.945  -6.965
  657   1HB   GLN  40          1HB       GLN  40   1.587  -8.079  -6.264
  658   2HB   GLN  40          2HB       GLN  40   0.031  -7.892  -5.466
  659   1HG   GLN  40          1HG       GLN  40  -1.083  -8.237  -7.640
  660   2HG   GLN  40          2HG       GLN  40   0.498  -8.527  -8.368
  661   1HE2  GLN  40          1HE2      GLN  40  -1.890  -9.718  -6.135
  662   2HE2  GLN  40          2HE2      GLN  40  -1.305 -11.350  -6.078
  663    H    GLN  41           H        GLN  41   2.663  -4.848  -6.531
  664    HA   GLN  41           HA       GLN  41   2.558  -4.522  -3.666
  665   1HB   GLN  41          1HB       GLN  41   4.472  -3.458  -5.745
  666   2HB   GLN  41          2HB       GLN  41   4.633  -3.160  -4.023
  667   1HG   GLN  41          1HG       GLN  41   4.808  -5.608  -3.667
  668   2HG   GLN  41          2HG       GLN  41   4.787  -5.818  -5.419
  669   1HE2  GLN  41          1HE2      GLN  41   6.838  -6.665  -5.555
  670   2HE2  GLN  41          2HE2      GLN  41   8.260  -5.722  -5.257
  671    H    ARG  42           H        ARG  42   0.693  -3.307  -3.315
  672    HA   ARG  42           HA       ARG  42   0.520  -0.682  -4.565
  673   1HB   ARG  42          1HB       ARG  42  -1.506  -2.105  -4.294
  674   2HB   ARG  42          2HB       ARG  42  -1.324  -1.983  -2.553
  675   1HG   ARG  42          1HG       ARG  42  -1.678   0.424  -2.668
  676   2HG   ARG  42          2HG       ARG  42  -1.820   0.322  -4.426
  677   1HD   ARG  42          1HD       ARG  42  -3.801  -1.003  -4.260
  678   2HD   ARG  42          2HD       ARG  42  -3.597  -1.182  -2.518
  679    HE   ARG  42           HE       ARG  42  -4.415   1.281  -3.922
  680   1HH1  ARG  42          1HH1      ARG  42  -4.053  -0.549  -0.950
  681   2HH1  ARG  42          2HH1      ARG  42  -5.073   0.502  -0.030
  682   1HH2  ARG  42          1HH2      ARG  42  -5.745   2.672  -2.722
  683   2HH2  ARG  42          2HH2      ARG  42  -6.034   2.349  -1.034
  684    H    LEU  43           H        LEU  43   2.352   0.261  -3.669
  685    HA   LEU  43           HA       LEU  43   2.780   0.393  -0.848
  686   1HB   LEU  43          1HB       LEU  43   4.047   1.639  -3.251
  687   2HB   LEU  43          2HB       LEU  43   4.403   2.285  -1.660
  688    HG   LEU  43           HG       LEU  43   4.771  -0.627  -2.320
  689   1HD1  LEU  43          1HD1      LEU  43   6.752   1.623  -2.599
  690   2HD1  LEU  43          2HD1      LEU  43   6.141   0.578  -3.882
  691   3HD1  LEU  43          3HD1      LEU  43   7.170  -0.089  -2.613
  692   1HD2  LEU  43          1HD2      LEU  43   5.919   1.155  -0.173
  693   2HD2  LEU  43          2HD2      LEU  43   6.285  -0.556  -0.397
  694   3HD2  LEU  43          3HD2      LEU  43   4.654  -0.053   0.049
  695    H    ILE  44           H        ILE  44   1.584   1.524   0.467
  696    HA   ILE  44           HA       ILE  44   0.440   4.074  -0.462
  697    HB   ILE  44           HB       ILE  44  -0.568   2.155   1.647
  698   1HG1  ILE  44          1HG1      ILE  44  -0.999   1.531  -0.729
  699   2HG1  ILE  44          2HG1      ILE  44  -2.469   1.828   0.195
  700   1HG2  ILE  44          1HG2      ILE  44  -0.932   4.448   2.375
  701   2HG2  ILE  44          2HG2      ILE  44  -2.458   3.681   1.936
  702   3HG2  ILE  44          3HG2      ILE  44  -1.700   4.828   0.833
  703   1HD1  ILE  44          1HD1      ILE  44  -2.686   4.017  -0.826
  704   2HD1  ILE  44          2HD1      ILE  44  -2.583   2.759  -2.057
  705   3HD1  ILE  44          3HD1      ILE  44  -1.181   3.770  -1.711
  706    H    PHE  45           H        PHE  45   1.190   5.851   0.461
  707    HA   PHE  45           HA       PHE  45   2.417   5.638   3.129
  708   1HB   PHE  45          1HB       PHE  45   4.093   6.039   1.298
  709   2HB   PHE  45          2HB       PHE  45   3.268   7.554   0.947
  710    HD1  PHE  45           HD1      PHE  45   4.305   5.888   4.119
  711    HD2  PHE  45           HD2      PHE  45   4.557   9.330   1.629
  712    HE1  PHE  45           HE1      PHE  45   5.675   7.014   5.824
  713    HE2  PHE  45           HE2      PHE  45   5.938  10.459   3.325
  714    HZ   PHE  45           HZ       PHE  45   6.497   9.304   5.428
  715    H    ALA  46           H        ALA  46   0.704   6.287   4.287
  716    HA   ALA  46           HA       ALA  46  -0.796   7.670   5.270
  717   1HB   ALA  46          1HB       ALA  46   0.710   9.853   3.826
  718   2HB   ALA  46          2HB       ALA  46   1.098   9.213   5.423
  719   3HB   ALA  46          3HB       ALA  46  -0.415  10.081   5.166
  720    H    GLY  47           H        GLY  47  -1.746   6.351   3.143
  721   1HA   GLY  47          1HA       GLY  47  -3.790   6.425   2.014
  722   2HA   GLY  47          2HA       GLY  47  -3.796   8.173   2.181
  723    H    LYS  48           H        LYS  48  -1.359   8.799   1.061
  724    HA   LYS  48           HA       LYS  48  -2.005   8.722  -1.709
  725   1HB   LYS  48          1HB       LYS  48   0.488   9.656  -0.281
  726   2HB   LYS  48          2HB       LYS  48   0.153   9.927  -1.986
  727   1HG   LYS  48          1HG       LYS  48  -1.540  11.443  -1.549
  728   2HG   LYS  48          2HG       LYS  48  -1.780  10.855   0.097
  729   1HD   LYS  48          2HD       LYS  48   0.727  12.256  -0.816
  730   2HD   LYS  48          1HD       LYS  48  -0.648  13.095  -0.094
  731   1HE   LYS  48          2HE       LYS  48  -0.399  11.462   1.849
  732   2HE   LYS  48          1HE       LYS  48   1.170  11.053   1.154
  733   1HZ   LYS  48          1HZ       LYS  48   1.824  13.366   1.353
  734   2HZ   LYS  48          2HZ       LYS  48   1.362  12.755   2.857
  735   3HZ   LYS  48          3HZ       LYS  48   0.314  13.770   2.001
  736    H    GLN  49           H        GLN  49  -1.411   7.340  -3.223
  737    HA   GLN  49           HA       GLN  49   0.308   5.109  -2.527
  738   1HB   GLN  49          1HB       GLN  49  -1.872   4.849  -3.779
  739   2HB   GLN  49          2HB       GLN  49  -1.099   5.636  -5.149
  740   1HG   GLN  49          1HG       GLN  49   0.506   3.849  -5.326
  741   2HG   GLN  49          2HG       GLN  49  -0.131   3.093  -3.867
  742   1HE2  GLN  49          1HE2      GLN  49  -2.894   3.677  -4.551
  743   2HE2  GLN  49          2HE2      GLN  49  -3.333   2.584  -5.817
  744    H    LEU  50           H        LEU  50   2.202   4.552  -3.680
  745    HA   LEU  50           HA       LEU  50   3.579   6.879  -4.787
  746   1HB   LEU  50          1HB       LEU  50   4.826   4.202  -4.240
  747   2HB   LEU  50          2HB       LEU  50   5.607   5.770  -4.323
  748    HG   LEU  50           HG       LEU  50   3.776   4.817  -2.116
  749   1HD1  LEU  50          1HD1      LEU  50   6.008   3.767  -2.146
  750   2HD1  LEU  50          2HD1      LEU  50   5.754   4.799  -0.739
  751   3HD1  LEU  50          3HD1      LEU  50   6.738   5.370  -2.086
  752   1HD2  LEU  50          1HD2      LEU  50   4.492   6.901  -0.977
  753   2HD2  LEU  50          2HD2      LEU  50   3.497   7.185  -2.404
  754   3HD2  LEU  50          3HD2      LEU  50   5.243   7.423  -2.484
  755    H    GLU  51           H        GLU  51   4.221   7.055  -6.861
  756    HA   GLU  51           HA       GLU  51   3.343   4.997  -8.730
  757   1HB   GLU  51          1HB       GLU  51   4.180   7.857  -8.974
  758   2HB   GLU  51          2HB       GLU  51   4.269   6.820 -10.389
  759   1HG   GLU  51          1HG       GLU  51   2.184   7.661 -10.670
  760   2HG   GLU  51          2HG       GLU  51   1.793   6.244  -9.697
  761    H    ASP  52           H        ASP  52   4.682   3.971 -10.193
  762    HA   ASP  52           HA       ASP  52   7.220   3.204  -9.249
  763   1HB   ASP  52          1HB       ASP  52   5.744   2.759 -11.820
  764   2HB   ASP  52          2HB       ASP  52   7.405   2.213 -11.641
  765    H    GLY  53           H        GLY  53   6.243   5.620 -11.591
  766   1HA   GLY  53          1HA       GLY  53   8.921   6.003 -12.603
  767   2HA   GLY  53          2HA       GLY  53   7.505   6.957 -13.011
  768    H    ARG  54           H        ARG  54   7.500   6.914  -9.756
  769    HA   ARG  54           HA       ARG  54   8.879   9.498  -9.658
  770   1HB   ARG  54          1HB       ARG  54   6.852   8.229  -7.813
  771   2HB   ARG  54          2HB       ARG  54   7.667   9.746  -7.463
  772   1HG   ARG  54          1HG       ARG  54   5.948   9.247  -9.883
  773   2HG   ARG  54          2HG       ARG  54   5.397  10.021  -8.396
  774   1HD   ARG  54          1HD       ARG  54   5.985  11.931  -9.421
  775   2HD   ARG  54          2HD       ARG  54   7.625  11.475  -8.969
  776    HE   ARG  54           HE       ARG  54   6.470  10.764 -11.588
  777   1HH1  ARG  54          1HH1      ARG  54   9.083  12.082  -9.647
  778   2HH1  ARG  54          2HH1      ARG  54  10.097  12.398 -11.022
  779   1HH2  ARG  54          1HH2      ARG  54   7.830  11.169 -13.387
  780   2HH2  ARG  54          2HH2      ARG  54   9.392  11.879 -13.135
  781    H    THR  55           H        THR  55  10.050  10.008  -7.637
  782    HA   THR  55           HA       THR  55  11.651   7.680  -6.804
  783    HB   THR  55           HB       THR  55  13.276   9.460  -5.990
  784    HG1  THR  55           HG1      THR  55  11.574  11.124  -7.579
  785   1HG2  THR  55          1HG2      THR  55  12.668   9.383  -8.946
  786   2HG2  THR  55          2HG2      THR  55  13.642   8.209  -8.061
  787   3HG2  THR  55          3HG2      THR  55  14.198   9.876  -8.219
  788    H    LEU  56           H        LEU  56  12.586   8.014  -4.480
  789    HA   LEU  56           HA       LEU  56  10.359   8.078  -2.708
  790   1HB   LEU  56          1HB       LEU  56  13.331   7.929  -2.224
  791   2HB   LEU  56          2HB       LEU  56  12.150   7.882  -0.927
  792    HG   LEU  56           HG       LEU  56  11.451   5.927  -2.906
  793   1HD1  LEU  56          1HD1      LEU  56  13.394   4.449  -2.684
  794   2HD1  LEU  56          2HD1      LEU  56  14.270   5.737  -1.857
  795   3HD1  LEU  56          3HD1      LEU  56  13.790   5.939  -3.542
  796   1HD2  LEU  56          1HD2      LEU  56  10.736   5.879  -0.583
  797   2HD2  LEU  56          2HD2      LEU  56  12.408   5.696  -0.054
  798   3HD2  LEU  56          3HD2      LEU  56  11.630   4.413  -0.982
  799    H    SER  57           H        SER  57  12.739  10.383  -3.725
  800    HA   SER  57           HA       SER  57  12.345  12.258  -1.618
  801   1HB   SER  57          1HB       SER  57  13.315  13.703  -3.746
  802   2HB   SER  57          2HB       SER  57  14.306  12.823  -2.583
  803    HG   SER  57           HG       SER  57  13.676  12.208  -5.222
  804    H    ASP  58           H        ASP  58  10.623  11.457  -4.473
  805    HA   ASP  58           HA       ASP  58   9.388  13.935  -5.029
  806   1HB   ASP  58          1HB       ASP  58   8.857  11.095  -5.744
  807   2HB   ASP  58          2HB       ASP  58   7.551  12.253  -5.972
  808    H    TYR  59           H        TYR  59   8.780  11.485  -2.667
  809    HA   TYR  59           HA       TYR  59   6.292  12.841  -1.883
  810   1HB   TYR  59          1HB       TYR  59   7.209  10.050  -1.166
  811   2HB   TYR  59          2HB       TYR  59   5.655  10.773  -0.760
  812    HD1  TYR  59           HD1      TYR  59   7.584   9.055  -3.289
  813    HD2  TYR  59           HD2      TYR  59   4.022  11.276  -2.588
  814    HE1  TYR  59           HE1      TYR  59   6.645   8.205  -5.397
  815    HE2  TYR  59           HE2      TYR  59   3.076  10.433  -4.694
  816    HH   TYR  59           HH       TYR  59   3.660   9.439  -6.718
  817    H    ASN  60           H        ASN  60   9.341  13.142  -1.261
  818    HA   ASN  60           HA       ASN  60  10.660  13.793   0.464
  819   1HB   ASN  60          1HB       ASN  60   8.840  15.496   0.636
  820   2HB   ASN  60          2HB       ASN  60   8.049  14.477   1.832
  821   1HD2  ASN  60          1HD2      ASN  60  11.512  15.104   1.483
  822   2HD2  ASN  60          2HD2      ASN  60  11.698  15.878   3.018
  823    H    ILE  61           H        ILE  61  10.331  11.107   0.411
  824    HA   ILE  61           HA       ILE  61   9.600  10.176   3.060
  825    HB   ILE  61           HB       ILE  61  10.827   8.615   0.779
  826   1HG1  ILE  61          1HG1      ILE  61   7.918   8.789   1.597
  827   2HG1  ILE  61          2HG1      ILE  61   8.612   9.679   0.247
  828   1HG2  ILE  61          1HG2      ILE  61  11.102   7.573   2.983
  829   2HG2  ILE  61          2HG2      ILE  61   9.994   6.652   1.966
  830   3HG2  ILE  61          3HG2      ILE  61   9.363   7.686   3.248
  831   1HD1  ILE  61          1HD1      ILE  61   8.455   6.685   0.509
  832   2HD1  ILE  61          2HD1      ILE  61   9.188   7.558  -0.838
  833   3HD1  ILE  61          3HD1      ILE  61   7.457   7.705  -0.528
  834    H    GLN  62           H        GLN  62  10.999  10.577   4.646
  835    HA   GLN  62           HA       GLN  62  13.845  10.766   4.136
  836   1HB   GLN  62          1HB       GLN  62  12.391  10.884   6.785
  837   2HB   GLN  62          2HB       GLN  62  14.033  11.423   6.454
  838   1HG   GLN  62          1HG       GLN  62  13.213  13.201   5.053
  839   2HG   GLN  62          2HG       GLN  62  11.558  12.622   5.233
  840   1HE2  GLN  62          1HE2      GLN  62  13.904  12.693   7.835
  841   2HE2  GLN  62          2HE2      GLN  62  13.119  13.929   8.752
  842    H    LYS  63           H        LYS  63  15.181   9.684   6.098
  843    HA   LYS  63           HA       LYS  63  14.970   6.865   5.665
  844   1HB   LYS  63          1HB       LYS  63  16.877   6.727   7.268
  845   2HB   LYS  63          2HB       LYS  63  17.167   7.827   5.931
  846   1HG   LYS  63          1HG       LYS  63  16.684   9.730   7.370
  847   2HG   LYS  63          2HG       LYS  63  16.343   8.636   8.712
  848   1HD   LYS  63          2HD       LYS  63  18.659   7.775   8.538
  849   2HD   LYS  63          1HD       LYS  63  18.979   8.979   7.289
  850   1HE   LYS  63          2HE       LYS  63  19.778   9.700   9.494
  851   2HE   LYS  63          1HE       LYS  63  18.532  10.771   8.859
  852   1HZ   LYS  63          1HZ       LYS  63  17.152  10.273  10.529
  853   2HZ   LYS  63          2HZ       LYS  63  18.527   9.694  11.325
  854   3HZ   LYS  63          3HZ       LYS  63  17.517   8.617  10.497
  855    H    GLU  64           H        GLU  64  14.795   5.271   7.403
  856    HA   GLU  64           HA       GLU  64  13.798   4.294   9.183
  857   1HB   GLU  64          1HB       GLU  64  14.075   7.086  10.193
  858   2HB   GLU  64          2HB       GLU  64  13.028   5.983  11.076
  859   1HG   GLU  64          1HG       GLU  64  14.982   5.635  12.174
  860   2HG   GLU  64          2HG       GLU  64  15.117   4.398  10.928
  861    H    SER  65           H        SER  65  12.245   5.974   6.964
  862    HA   SER  65           HA       SER  65   9.666   6.255   8.213
  863   1HB   SER  65          1HB       SER  65  10.372   6.344   5.270
  864   2HB   SER  65          2HB       SER  65   8.871   6.912   6.005
  865    HG   SER  65           HG       SER  65  11.375   8.089   5.915
  866    H    THR  66           H        THR  66   7.871   4.971   7.916
  867    HA   THR  66           HA       THR  66   8.435   2.265   6.924
  868    HB   THR  66           HB       THR  66   6.142   3.009   8.739
  869    HG1  THR  66           HG1      THR  66   7.931   3.617   9.907
  870   1HG2  THR  66          1HG2      THR  66   6.332   0.641   9.396
  871   2HG2  THR  66          2HG2      THR  66   7.645   0.436   8.236
  872   3HG2  THR  66          3HG2      THR  66   6.020   0.825   7.670
  873    H    LEU  67           H        LEU  67   7.549   1.782   5.029
  874    HA   LEU  67           HA       LEU  67   5.257   3.347   4.076
  875   1HB   LEU  67          1HB       LEU  67   6.894   1.384   2.481
  876   2HB   LEU  67          2HB       LEU  67   5.822   2.629   1.872
  877    HG   LEU  67           HG       LEU  67   8.403   3.185   3.331
  878   1HD1  LEU  67          1HD1      LEU  67   9.354   3.716   1.178
  879   2HD1  LEU  67          2HD1      LEU  67   7.838   3.310   0.376
  880   3HD1  LEU  67          3HD1      LEU  67   8.775   2.050   1.178
  881   1HD2  LEU  67          1HD2      LEU  67   6.623   5.007   1.719
  882   2HD2  LEU  67          2HD2      LEU  67   8.114   5.452   2.551
  883   3HD2  LEU  67          3HD2      LEU  67   6.699   4.960   3.481
  884    H    HIS  68           H        HIS  68   3.293   2.431   3.683
  885    HA   HIS  68           HA       HIS  68   2.879  -0.237   4.735
  886   1HB   HIS  68          1HB       HIS  68   1.144   2.066   4.044
  887   2HB   HIS  68          2HB       HIS  68   0.426   0.466   3.888
  888    HD1  HIS  68           HD1      HIS  68  -0.302   2.701   6.059
  889    HD2  HIS  68           HD2      HIS  68   1.995  -0.710   6.659
  890    HE1  HIS  68           HE1      HIS  68  -0.433   2.225   8.523
  891    HE2  HIS  68           HE2      HIS  68   0.816   0.055   8.827
  892    H    LEU  69           H        LEU  69   3.183  -1.919   3.492
  893    HA   LEU  69           HA       LEU  69   2.801  -1.673   0.603
  894   1HB   LEU  69          1HB       LEU  69   4.915  -2.620   1.397
  895   2HB   LEU  69          2HB       LEU  69   4.047  -3.871   2.262
  896    HG   LEU  69           HG       LEU  69   3.234  -4.776   0.117
  897   1HD1  LEU  69          1HD1      LEU  69   3.158  -3.129  -1.461
  898   2HD1  LEU  69          2HD1      LEU  69   4.701  -3.873  -1.882
  899   3HD1  LEU  69          3HD1      LEU  69   4.667  -2.392  -0.924
  900   1HD2  LEU  69          1HD2      LEU  69   6.230  -4.460   0.234
  901   2HD2  LEU  69          2HD2      LEU  69   5.340  -5.736  -0.596
  902   3HD2  LEU  69          3HD2      LEU  69   5.290  -5.629   1.163
  903    H    VAL  70           H        VAL  70   0.730  -1.936   0.075
  904    HA   VAL  70           HA       VAL  70  -0.846  -4.015   1.395
  905    HB   VAL  70           HB       VAL  70  -1.768  -1.992  -0.657
  906   1HG1  VAL  70          1HG1      VAL  70  -3.178  -3.992  -0.465
  907   2HG1  VAL  70          2HG1      VAL  70  -4.003  -2.545   0.115
  908   3HG1  VAL  70          3HG1      VAL  70  -3.337  -3.702   1.267
  909   1HG2  VAL  70          1HG2      VAL  70  -0.942  -0.854   1.333
  910   2HG2  VAL  70          2HG2      VAL  70  -1.955  -1.877   2.350
  911   3HG2  VAL  70          3HG2      VAL  70  -2.697  -0.736   1.230
  912    H    LEU  71           H        LEU  71  -0.814  -5.962   0.541
  913    HA   LEU  71           HA       LEU  71   0.051  -6.406  -2.176
  914   1HB   LEU  71          1HB       LEU  71  -0.488  -8.099   0.206
  915   2HB   LEU  71          2HB       LEU  71  -0.636  -8.860  -1.364
  916    HG   LEU  71           HG       LEU  71   1.702  -8.161  -1.867
  917   1HD1  LEU  71          1HD1      LEU  71   1.732  -7.368   1.039
  918   2HD1  LEU  71          2HD1      LEU  71   1.845  -6.272  -0.337
  919   3HD1  LEU  71          3HD1      LEU  71   3.132  -7.438  -0.032
  920   1HD2  LEU  71          1HD2      LEU  71   1.153 -10.406  -1.040
  921   2HD2  LEU  71          2HD2      LEU  71   1.370  -9.838   0.617
  922   3HD2  LEU  71          3HD2      LEU  71   2.741  -9.868  -0.493
  923    H    ARG  72           H        ARG  72  -1.378  -6.092  -3.759
  924    HA   ARG  72           HA       ARG  72  -4.207  -6.546  -3.318
  925   1HB   ARG  72          1HB       ARG  72  -3.253  -4.652  -4.716
  926   2HB   ARG  72          2HB       ARG  72  -2.848  -5.861  -5.927
  927   1HG   ARG  72          1HG       ARG  72  -5.351  -6.498  -5.783
  928   2HG   ARG  72          2HG       ARG  72  -5.537  -4.910  -5.036
  929   1HD   ARG  72          1HD       ARG  72  -5.928  -4.571  -7.332
  930   2HD   ARG  72          2HD       ARG  72  -4.293  -3.985  -7.043
  931    HE   ARG  72           HE       ARG  72  -4.992  -6.523  -8.361
  932   1HH1  ARG  72          1HH1      ARG  72  -2.702  -3.958  -7.702
  933   2HH1  ARG  72          2HH1      ARG  72  -1.526  -4.541  -8.837
  934   1HH2  ARG  72          1HH2      ARG  72  -3.465  -7.284  -9.876
  935   2HH2  ARG  72          2HH2      ARG  72  -1.972  -6.416 -10.111
  936    H    LEU  73           H        LEU  73  -4.534  -8.705  -3.060
  937    HA   LEU  73           HA       LEU  73  -3.389 -10.600  -4.930
  938   1HB   LEU  73          1HB       LEU  73  -4.789 -10.734  -2.340
  939   2HB   LEU  73          2HB       LEU  73  -5.085 -12.077  -3.426
  940    HG   LEU  73           HG       LEU  73  -2.578 -12.368  -3.584
  941   1HD1  LEU  73          1HD1      LEU  73  -1.932 -10.141  -2.815
  942   2HD1  LEU  73          2HD1      LEU  73  -1.229 -11.399  -1.796
  943   3HD1  LEU  73          3HD1      LEU  73  -2.628 -10.485  -1.231
  944   1HD2  LEU  73          1HD2      LEU  73  -2.434 -13.448  -1.347
  945   2HD2  LEU  73          2HD2      LEU  73  -3.879 -13.875  -2.260
  946   3HD2  LEU  73          3HD2      LEU  73  -3.980 -12.706  -0.943
  947    H    ARG  74           H        ARG  74  -5.120 -12.481  -5.380
  948    HA   ARG  74           HA       ARG  74  -7.480 -11.243  -6.615
  949   1HB   ARG  74          1HB       ARG  74  -5.638 -13.307  -7.839
  950   2HB   ARG  74          2HB       ARG  74  -7.192 -12.841  -8.515
  951   1HG   ARG  74          1HG       ARG  74  -6.398 -10.580  -8.864
  952   2HG   ARG  74          2HG       ARG  74  -4.859 -10.979  -8.099
  953   1HD   ARG  74          1HD       ARG  74  -4.557 -11.021 -10.479
  954   2HD   ARG  74          2HD       ARG  74  -4.485 -12.678  -9.878
  955    HE   ARG  74           HE       ARG  74  -7.120 -11.966 -10.718
  956   1HH1  ARG  74          1HH1      ARG  74  -3.974 -12.926 -11.917
  957   2HH1  ARG  74          2HH1      ARG  74  -4.608 -13.648 -13.364
  958   1HH2  ARG  74          1HH2      ARG  74  -7.957 -12.910 -12.623
  959   2HH2  ARG  74          2HH2      ARG  74  -6.872 -13.650 -13.758
  960    H    GLY  75           H        GLY  75  -8.615 -11.990  -4.733
  961   1HA   GLY  75          1HA       GLY  75  -9.329 -14.829  -4.960
  962   2HA   GLY  75          2HA       GLY  75  -8.838 -14.210  -3.393
  963    H    GLY  76           H        GLY  76 -11.148 -13.568  -6.015
  964   1HA   GLY  76          1HA       GLY  76 -13.495 -13.781  -4.751
  965   2HA   GLY  76          2HA       GLY  76 -12.942 -12.212  -4.179
  Start of MODEL    7
    1    H    GLY  63           H        GLY  63 -26.318  11.524   0.578
    2   1HA   GLY  63          1HA       GLY  63 -25.100  12.283  -2.016
    3   2HA   GLY  63          2HA       GLY  63 -24.224  11.901  -0.539
    4    H    SER  64           H        SER  64 -23.140  10.152  -1.420
    5    HA   SER  64           HA       SER  64 -24.744   7.945  -2.453
    6   1HB   SER  64          1HB       SER  64 -21.735   8.104  -2.295
    7   2HB   SER  64          2HB       SER  64 -22.713   7.042  -3.308
    8    HG   SER  64           HG       SER  64 -21.787   9.452  -3.904
    9    H    GLN  65           H        GLN  65 -23.572   5.709  -1.765
   10    HA   GLN  65           HA       GLN  65 -24.164   5.512   1.048
   11   1HB   GLN  65          1HB       GLN  65 -23.376   3.430  -0.985
   12   2HB   GLN  65          2HB       GLN  65 -23.819   3.078   0.679
   13   1HG   GLN  65          1HG       GLN  65 -26.041   3.986   0.297
   14   2HG   GLN  65          2HG       GLN  65 -25.599   4.390  -1.362
   15   1HE2  GLN  65          1HE2      GLN  65 -26.247   1.808   0.880
   16   2HE2  GLN  65          2HE2      GLN  65 -26.499   0.576  -0.308
   17    H    TRP  66           H        TRP  66 -21.466   4.047  -0.771
   18    HA   TRP  66           HA       TRP  66 -19.866   4.167   1.659
   19   1HB   TRP  66          1HB       TRP  66 -19.328   2.812  -0.985
   20   2HB   TRP  66          2HB       TRP  66 -18.292   2.704   0.434
   21    HD1  TRP  66           HD1      TRP  66 -19.633   1.612   2.701
   22    HE1  TRP  66           HE1      TRP  66 -21.227  -0.415   2.737
   23    HE3  TRP  66           HE3      TRP  66 -20.924   1.511  -2.247
   24    HZ2  TRP  66           HZ2      TRP  66 -22.810  -1.861   0.903
   25    HZ3  TRP  66           HZ3      TRP  66 -22.480  -0.229  -3.021
   26    HH2  TRP  66           HH2      TRP  66 -23.400  -1.876  -1.480
   27    H    GLN  67           H        GLN  67 -20.302   6.239  -0.879
   28    HA   GLN  67           HA       GLN  67 -17.710   6.910  -1.648
   29   1HB   GLN  67          1HB       GLN  67 -19.740   7.778  -2.760
   30   2HB   GLN  67          2HB       GLN  67 -20.015   8.838  -1.384
   31   1HG   GLN  67          1HG       GLN  67 -17.897   9.964  -1.816
   32   2HG   GLN  67          2HG       GLN  67 -17.602   8.896  -3.186
   33   1HE2  GLN  67          1HE2      GLN  67 -17.850  11.799  -3.091
   34   2HE2  GLN  67          2HE2      GLN  67 -19.136  12.200  -4.176
   35    HA   PRO  68           HA       PRO  68 -17.627  10.141   2.055
   36   1HB   PRO  68          1HB       PRO  68 -19.258   8.614   4.008
   37   2HB   PRO  68          2HB       PRO  68 -19.178  10.356   3.734
   38   1HG   PRO  68          1HG       PRO  68 -21.291   8.942   2.945
   39   2HG   PRO  68          2HG       PRO  68 -20.664  10.278   1.961
   40   1HD   PRO  68          1HD       PRO  68 -20.342   7.329   1.589
   41   2HD   PRO  68          2HD       PRO  68 -20.592   8.600   0.377
   42    H    GLN  69           H        GLN  69 -17.881   6.686   2.313
   43    HA   GLN  69           HA       GLN  69 -15.922   6.412   4.404
   44   1HB   GLN  69          1HB       GLN  69 -17.215   4.375   2.579
   45   2HB   GLN  69          2HB       GLN  69 -16.159   3.980   3.927
   46   1HG   GLN  69          1HG       GLN  69 -18.770   5.456   4.168
   47   2HG   GLN  69          2HG       GLN  69 -18.551   3.730   4.452
   48   1HE2  GLN  69          1HE2      GLN  69 -17.526   3.039   6.291
   49   2HE2  GLN  69          2HE2      GLN  69 -17.189   4.078   7.630
   50    H    LEU  70           H        LEU  70 -16.053   6.189   0.897
   51    HA   LEU  70           HA       LEU  70 -13.469   5.118   0.485
   52   1HB   LEU  70          1HB       LEU  70 -15.178   6.872  -1.284
   53   2HB   LEU  70          2HB       LEU  70 -13.688   6.112  -1.805
   54    HG   LEU  70           HG       LEU  70 -16.259   4.745  -1.028
   55   1HD1  LEU  70          1HD1      LEU  70 -14.707   4.845  -3.610
   56   2HD1  LEU  70          2HD1      LEU  70 -16.222   5.680  -3.271
   57   3HD1  LEU  70          3HD1      LEU  70 -16.180   3.917  -3.329
   58   1HD2  LEU  70          1HD2      LEU  70 -15.024   2.647  -1.669
   59   2HD2  LEU  70          2HD2      LEU  70 -14.543   3.371  -0.134
   60   3HD2  LEU  70          3HD2      LEU  70 -13.534   3.586  -1.562
   61    H    GLN  71           H        GLN  71 -14.696   8.352   0.966
   62    HA   GLN  71           HA       GLN  71 -12.438   9.830   0.230
   63   1HB   GLN  71          1HB       GLN  71 -14.650  10.823   0.682
   64   2HB   GLN  71          2HB       GLN  71 -14.466  10.452   2.389
   65   1HG   GLN  71          1HG       GLN  71 -12.378  11.892   2.321
   66   2HG   GLN  71          2HG       GLN  71 -12.941  12.438   0.742
   67   1HE2  GLN  71          1HE2      GLN  71 -15.756  12.283   1.507
   68   2HE2  GLN  71          2HE2      GLN  71 -16.042  13.642   2.539
   69    H    GLN  72           H        GLN  72 -13.217   8.074   3.153
   70    HA   GLN  72           HA       GLN  72 -11.224   9.138   4.839
   71   1HB   GLN  72          1HB       GLN  72 -12.352   6.334   4.913
   72   2HB   GLN  72          2HB       GLN  72 -11.606   7.207   6.244
   73   1HG   GLN  72          1HG       GLN  72 -14.190   7.946   4.890
   74   2HG   GLN  72          2HG       GLN  72 -14.035   7.133   6.446
   75   1HE2  GLN  72          1HE2      GLN  72 -15.224   9.731   5.670
   76   2HE2  GLN  72          2HE2      GLN  72 -14.461  10.900   6.692
   77    H    LEU  73           H        LEU  73 -11.248   6.476   2.535
   78    HA   LEU  73           HA       LEU  73  -8.607   5.583   3.160
   79   1HB   LEU  73          1HB       LEU  73 -10.424   5.067   0.810
   80   2HB   LEU  73          2HB       LEU  73  -8.849   4.316   0.994
   81    HG   LEU  73           HG       LEU  73 -10.377   3.913   3.391
   82   1HD1  LEU  73          1HD1      LEU  73 -12.374   4.158   2.117
   83   2HD1  LEU  73          2HD1      LEU  73 -12.117   2.430   2.368
   84   3HD1  LEU  73          3HD1      LEU  73 -11.735   3.164   0.811
   85   1HD2  LEU  73          1HD2      LEU  73  -9.394   2.015   1.260
   86   2HD2  LEU  73          2HD2      LEU  73  -9.915   1.565   2.883
   87   3HD2  LEU  73          3HD2      LEU  73  -8.479   2.562   2.664
   88    H    ARG  74           H        ARG  74 -10.050   7.710   0.743
   89    HA   ARG  74           HA       ARG  74  -7.758   8.159  -0.817
   90   1HB   ARG  74          1HB       ARG  74 -10.105   9.974  -0.230
   91   2HB   ARG  74          2HB       ARG  74  -8.872  10.326  -1.432
   92   1HG   ARG  74          1HG       ARG  74  -9.497   8.329  -2.677
   93   2HG   ARG  74          2HG       ARG  74 -10.714   7.945  -1.456
   94   1HD   ARG  74          1HD       ARG  74 -11.824  10.100  -1.939
   95   2HD   ARG  74          2HD       ARG  74 -10.650  10.393  -3.221
   96    HE   ARG  74           HE       ARG  74 -11.844   7.917  -3.701
   97   1HH1  ARG  74          1HH1      ARG  74 -12.746  11.294  -3.596
   98   2HH1  ARG  74          2HH1      ARG  74 -14.020  11.123  -4.763
   99   1HH2  ARG  74          1HH2      ARG  74 -13.529   7.675  -5.232
  100   2HH2  ARG  74          2HH2      ARG  74 -14.475   9.066  -5.680
  101    H    ASP  75           H        ASP  75  -9.041   9.870   1.998
  102    HA   ASP  75           HA       ASP  75  -7.041  11.843   2.191
  103   1HB   ASP  75          1HB       ASP  75  -9.136  12.114   3.353
  104   2HB   ASP  75          2HB       ASP  75  -8.881  10.628   4.262
  105    H    MET  76           H        MET  76  -7.198   8.535   3.230
  106    HA   MET  76           HA       MET  76  -4.988   8.626   5.032
  107   1HB   MET  76          1HB       MET  76  -6.878   6.904   4.946
  108   2HB   MET  76          2HB       MET  76  -6.013   6.181   3.598
  109   1HG   MET  76          1HG       MET  76  -4.166   5.621   4.966
  110   2HG   MET  76          2HG       MET  76  -4.761   6.612   6.298
  111   1HE   MET  76          1HE       MET  76  -6.587   2.601   4.936
  112   2HE   MET  76          2HE       MET  76  -4.996   3.171   4.436
  113   3HE   MET  76          3HE       MET  76  -6.447   4.011   3.886
  114    H    GLY  77           H        GLY  77  -5.262   8.606   1.648
  115   1HA   GLY  77          1HA       GLY  77  -3.236   9.124   0.404
  116   2HA   GLY  77          2HA       GLY  77  -2.389   7.970   1.422
  117    H    ILE  78           H        ILE  78  -5.366   6.686   0.722
  118    HA   ILE  78           HA       ILE  78  -4.177   4.834  -1.161
  119    HB   ILE  78           HB       ILE  78  -6.987   4.858  -0.047
  120   1HG1  ILE  78          1HG1      ILE  78  -5.315   4.660   1.738
  121   2HG1  ILE  78          2HG1      ILE  78  -6.195   3.151   1.526
  122   1HG2  ILE  78          1HG2      ILE  78  -5.421   2.745  -1.514
  123   2HG2  ILE  78          2HG2      ILE  78  -6.890   3.556  -2.054
  124   3HG2  ILE  78          3HG2      ILE  78  -6.946   2.449  -0.682
  125   1HD1  ILE  78          1HD1      ILE  78  -3.835   2.752   1.897
  126   2HD1  ILE  78          2HD1      ILE  78  -3.428   3.744   0.497
  127   3HD1  ILE  78          3HD1      ILE  78  -4.309   2.233   0.280
  128    H    GLN  79           H        GLN  79  -4.055   5.494  -3.215
  129    HA   GLN  79           HA       GLN  79  -5.976   7.259  -4.401
  130   1HB   GLN  79          1HB       GLN  79  -3.728   5.629  -5.594
  131   2HB   GLN  79          2HB       GLN  79  -4.749   6.703  -6.537
  132   1HG   GLN  79          1HG       GLN  79  -2.905   8.009  -6.119
  133   2HG   GLN  79          2HG       GLN  79  -4.008   8.507  -4.839
  134   1HE2  GLN  79          1HE2      GLN  79  -2.286   9.219  -3.570
  135   2HE2  GLN  79          2HE2      GLN  79  -1.259   8.106  -2.734
  136    H    ASP  80           H        ASP  80  -5.628   3.861  -4.058
  137    HA   ASP  80           HA       ASP  80  -7.419   3.194  -6.223
  138   1HB   ASP  80          1HB       ASP  80  -5.767   1.690  -4.281
  139   2HB   ASP  80          2HB       ASP  80  -7.229   0.887  -4.842
  140    H    ASP  81           H        ASP  81  -9.096   4.656  -5.293
  141    HA   ASP  81           HA       ASP  81 -10.446   3.828  -2.910
  142   1HB   ASP  81          1HB       ASP  81 -11.926   5.621  -3.271
  143   2HB   ASP  81          2HB       ASP  81 -10.375   6.189  -3.873
  144    H    GLU  82           H        GLU  82 -10.845   3.197  -6.342
  145    HA   GLU  82           HA       GLU  82 -13.437   2.047  -6.136
  146   1HB   GLU  82          1HB       GLU  82 -11.273   1.682  -8.210
  147   2HB   GLU  82          2HB       GLU  82 -12.889   1.006  -8.347
  148   1HG   GLU  82          1HG       GLU  82 -13.878   3.139  -8.505
  149   2HG   GLU  82          2HG       GLU  82 -12.393   3.946  -7.999
  150    H    LEU  83           H        LEU  83 -10.168   0.800  -5.863
  151    HA   LEU  83           HA       LEU  83 -10.863  -1.945  -5.750
  152   1HB   LEU  83          1HB       LEU  83  -8.537  -0.738  -6.019
  153   2HB   LEU  83          2HB       LEU  83  -8.512  -0.817  -4.270
  154    HG   LEU  83           HG       LEU  83  -7.310  -2.660  -5.596
  155   1HD1  LEU  83          1HD1      LEU  83  -7.991  -4.387  -3.947
  156   2HD1  LEU  83          2HD1      LEU  83  -9.283  -3.311  -3.416
  157   3HD1  LEU  83          3HD1      LEU  83  -7.598  -2.827  -3.225
  158   1HD2  LEU  83          1HD2      LEU  83  -9.260  -3.035  -7.135
  159   2HD2  LEU  83          2HD2      LEU  83 -10.090  -3.799  -5.778
  160   3HD2  LEU  83          3HD2      LEU  83  -8.591  -4.489  -6.395
  161    H    SER  84           H        SER  84 -10.506   0.603  -3.365
  162    HA   SER  84           HA       SER  84 -10.892  -0.992  -1.066
  163   1HB   SER  84          1HB       SER  84 -11.472   1.960  -1.417
  164   2HB   SER  84          2HB       SER  84 -11.208   1.116   0.109
  165    HG   SER  84           HG       SER  84  -9.348   1.672  -1.952
  166    H    LEU  85           H        LEU  85 -13.067   0.605  -3.296
  167    HA   LEU  85           HA       LEU  85 -15.429   0.499  -1.807
  168   1HB   LEU  85          1HB       LEU  85 -15.026   1.683  -4.003
  169   2HB   LEU  85          2HB       LEU  85 -15.202   0.131  -4.790
  170    HG   LEU  85           HG       LEU  85 -17.214   1.774  -4.692
  171   1HD1  LEU  85          1HD1      LEU  85 -17.470  -1.158  -4.055
  172   2HD1  LEU  85          2HD1      LEU  85 -17.417  -0.411  -5.652
  173   3HD1  LEU  85          3HD1      LEU  85 -18.798  -0.131  -4.594
  174   1HD2  LEU  85          1HD2      LEU  85 -17.089   2.125  -2.251
  175   2HD2  LEU  85          2HD2      LEU  85 -17.521   0.431  -2.013
  176   3HD2  LEU  85          3HD2      LEU  85 -18.662   1.531  -2.785
  177    H    ARG  86           H        ARG  86 -13.837  -1.916  -3.819
  178    HA   ARG  86           HA       ARG  86 -15.911  -3.838  -3.750
  179   1HB   ARG  86          1HB       ARG  86 -12.928  -4.197  -4.125
  180   2HB   ARG  86          2HB       ARG  86 -14.132  -5.450  -4.410
  181   1HG   ARG  86          1HG       ARG  86 -15.063  -4.282  -6.232
  182   2HG   ARG  86          2HG       ARG  86 -14.201  -2.799  -5.823
  183   1HD   ARG  86          1HD       ARG  86 -12.993  -3.641  -7.617
  184   2HD   ARG  86          2HD       ARG  86 -12.071  -4.187  -6.218
  185    HE   ARG  86           HE       ARG  86 -13.960  -6.155  -6.970
  186   1HH1  ARG  86          1HH1      ARG  86 -10.920  -4.747  -7.996
  187   2HH1  ARG  86          2HH1      ARG  86 -10.384  -6.173  -8.818
  188   1HH2  ARG  86          1HH2      ARG  86 -13.273  -8.026  -8.069
  189   2HH2  ARG  86          2HH2      ARG  86 -11.727  -8.042  -8.865
  190    H    ALA  87           H        ALA  87 -13.262  -3.047  -1.604
  191    HA   ALA  87           HA       ALA  87 -13.583  -5.314   0.106
  192   1HB   ALA  87          1HB       ALA  87 -11.468  -4.083  -0.007
  193   2HB   ALA  87          2HB       ALA  87 -12.106  -4.106   1.637
  194   3HB   ALA  87          3HB       ALA  87 -12.264  -2.653   0.650
  195    H    LEU  88           H        LEU  88 -14.776  -2.005   0.017
  196    HA   LEU  88           HA       LEU  88 -16.115  -1.994   2.504
  197   1HB   LEU  88          1HB       LEU  88 -16.138  -0.364   0.041
  198   2HB   LEU  88          2HB       LEU  88 -17.628  -0.329   0.959
  199    HG   LEU  88           HG       LEU  88 -16.162   1.550   1.517
  200   1HD1  LEU  88          1HD1      LEU  88 -16.416  -0.406   3.791
  201   2HD1  LEU  88          2HD1      LEU  88 -17.695   0.658   3.204
  202   3HD1  LEU  88          3HD1      LEU  88 -16.238   1.343   3.923
  203   1HD2  LEU  88          1HD2      LEU  88 -14.011   0.456   1.098
  204   2HD2  LEU  88          2HD2      LEU  88 -14.243  -0.538   2.535
  205   3HD2  LEU  88          3HD2      LEU  88 -14.069   1.208   2.691
  206    H    GLN  89           H        GLN  89 -17.028  -2.951  -0.739
  207    HA   GLN  89           HA       GLN  89 -19.751  -3.493  -0.254
  208   1HB   GLN  89          1HB       GLN  89 -19.286  -3.308  -2.498
  209   2HB   GLN  89          2HB       GLN  89 -17.746  -4.136  -2.360
  210   1HG   GLN  89          1HG       GLN  89 -20.004  -5.893  -1.849
  211   2HG   GLN  89          2HG       GLN  89 -20.060  -5.149  -3.447
  212   1HE2  GLN  89          1HE2      GLN  89 -18.176  -5.391  -4.813
  213   2HE2  GLN  89          2HE2      GLN  89 -17.184  -6.802  -4.666
  214    H    ALA  90           H        ALA  90 -16.831  -5.440   0.000
  215    HA   ALA  90           HA       ALA  90 -18.109  -7.910   0.513
  216   1HB   ALA  90          1HB       ALA  90 -15.379  -7.184   1.516
  217   2HB   ALA  90          2HB       ALA  90 -15.693  -7.492  -0.191
  218   3HB   ALA  90          3HB       ALA  90 -15.981  -8.758   1.002
  219    H    THR  91           H        THR  91 -16.701  -5.467   2.671
  220    HA   THR  91           HA       THR  91 -17.367  -6.864   5.063
  221    HB   THR  91           HB       THR  91 -16.771  -4.751   6.207
  222    HG1  THR  91           HG1      THR  91 -15.853  -3.457   3.986
  223   1HG2  THR  91          1HG2      THR  91 -14.869  -5.535   3.995
  224   2HG2  THR  91          2HG2      THR  91 -15.005  -6.319   5.569
  225   3HG2  THR  91          3HG2      THR  91 -14.438  -4.654   5.458
  226    H    GLY  92           H        GLY  92 -18.940  -4.419   3.117
  227   1HA   GLY  92          1HA       GLY  92 -21.371  -4.350   3.122
  228   2HA   GLY  92          2HA       GLY  92 -21.316  -4.638   4.858
  229    H    GLY  93           H        GLY  93 -19.051  -2.829   5.216
  230   1HA   GLY  93          1HA       GLY  93 -19.263  -0.277   4.343
  231   2HA   GLY  93          2HA       GLY  93 -20.561  -0.396   5.519
  232    H    ASP  94           H        ASP  94 -17.278  -1.801   5.544
  233    HA   ASP  94           HA       ASP  94 -16.731  -0.183   7.945
  234   1HB   ASP  94          1HB       ASP  94 -17.318  -2.579   8.499
  235   2HB   ASP  94          2HB       ASP  94 -15.871  -3.061   7.619
  236    H    ILE  95           H        ILE  95 -14.669   0.617   8.126
  237    HA   ILE  95           HA       ILE  95 -13.068   0.524   5.699
  238    HB   ILE  95           HB       ILE  95 -12.708   2.169   8.210
  239   1HG1  ILE  95          1HG1      ILE  95 -14.752   2.712   6.912
  240   2HG1  ILE  95          2HG1      ILE  95 -13.582   4.026   6.909
  241   1HG2  ILE  95          1HG2      ILE  95 -10.592   1.819   7.046
  242   2HG2  ILE  95          2HG2      ILE  95 -11.126   3.493   6.904
  243   3HG2  ILE  95          3HG2      ILE  95 -11.320   2.388   5.543
  244   1HD1  ILE  95          1HD1      ILE  95 -14.314   2.169   4.681
  245   2HD1  ILE  95          2HD1      ILE  95 -12.811   3.090   4.661
  246   3HD1  ILE  95          3HD1      ILE  95 -14.361   3.931   4.721
  247    H    GLN  96           H        GLN  96 -12.676  -0.171   9.156
  248    HA   GLN  96           HA       GLN  96  -9.980  -0.893   9.128
  249   1HB   GLN  96          1HB       GLN  96 -12.277  -1.741  10.870
  250   2HB   GLN  96          2HB       GLN  96 -10.651  -2.352  11.126
  251   1HG   GLN  96          1HG       GLN  96  -9.874  -0.004  11.363
  252   2HG   GLN  96          2HG       GLN  96 -11.561   0.506  11.280
  253   1HE2  GLN  96          1HE2      GLN  96  -9.549   0.698  13.437
  254   2HE2  GLN  96          2HE2      GLN  96 -10.274  -0.055  14.813
  255    H    ALA  97           H        ALA  97 -12.866  -2.917   8.733
  256    HA   ALA  97           HA       ALA  97 -11.380  -5.320   8.333
  257   1HB   ALA  97          1HB       ALA  97 -13.545  -6.267   7.626
  258   2HB   ALA  97          2HB       ALA  97 -14.248  -4.650   7.689
  259   3HB   ALA  97          3HB       ALA  97 -13.643  -5.408   9.162
  260    H    ALA  98           H        ALA  98 -12.395  -2.724   6.274
  261    HA   ALA  98           HA       ALA  98 -12.306  -4.066   3.790
  262   1HB   ALA  98          1HB       ALA  98 -13.348  -1.854   4.092
  263   2HB   ALA  98          2HB       ALA  98 -12.160  -1.858   2.788
  264   3HB   ALA  98          3HB       ALA  98 -11.751  -1.151   4.351
  265    H    LEU  99           H        LEU  99  -9.878  -2.310   5.666
  266    HA   LEU  99           HA       LEU  99  -7.761  -2.414   3.838
  267   1HB   LEU  99          1HB       LEU  99  -8.022  -2.073   6.776
  268   2HB   LEU  99          2HB       LEU  99  -6.443  -2.544   6.182
  269    HG   LEU  99           HG       LEU  99  -6.385  -0.551   4.740
  270   1HD1  LEU  99          1HD1      LEU  99  -8.796  -0.302   4.389
  271   2HD1  LEU  99          2HD1      LEU  99  -8.059   1.190   4.968
  272   3HD1  LEU  99          3HD1      LEU  99  -8.985   0.179   6.075
  273   1HD2  LEU  99          1HD2      LEU  99  -6.147   1.111   6.526
  274   2HD2  LEU  99          2HD2      LEU  99  -5.413  -0.432   6.962
  275   3HD2  LEU  99          3HD2      LEU  99  -6.977   0.024   7.639
  276    H    GLU 100           H        GLU 100  -8.964  -4.744   6.145
  277    HA   GLU 100           HA       GLU 100  -6.803  -6.595   5.822
  278   1HB   GLU 100          1HB       GLU 100  -8.332  -6.380   7.845
  279   2HB   GLU 100          2HB       GLU 100  -9.568  -7.179   6.883
  280   1HG   GLU 100          1HG       GLU 100  -8.328  -9.182   6.775
  281   2HG   GLU 100          2HG       GLU 100  -6.873  -8.399   7.393
  282    H    LEU 101           H        LEU 101  -9.988  -6.125   4.421
  283    HA   LEU 101           HA       LEU 101 -10.135  -8.581   3.022
  284   1HB   LEU 101          1HB       LEU 101 -11.700  -6.200   3.285
  285   2HB   LEU 101          2HB       LEU 101 -11.551  -6.592   1.585
  286    HG   LEU 101           HG       LEU 101 -13.575  -7.548   2.565
  287   1HD1  LEU 101          1HD1      LEU 101 -11.492  -9.558   1.735
  288   2HD1  LEU 101          2HD1      LEU 101 -12.628  -8.704   0.691
  289   3HD1  LEU 101          3HD1      LEU 101 -13.219  -9.895   1.850
  290   1HD2  LEU 101          1HD2      LEU 101 -13.449  -9.334   4.206
  291   2HD2  LEU 101          2HD2      LEU 101 -12.754  -7.847   4.849
  292   3HD2  LEU 101          3HD2      LEU 101 -11.699  -9.149   4.298
  293    H    ILE 102           H        ILE 102  -8.865  -5.402   2.197
  294    HA   ILE 102           HA       ILE 102  -8.353  -5.883  -0.530
  295    HB   ILE 102           HB       ILE 102  -6.977  -4.024   1.420
  296   1HG1  ILE 102          1HG1      ILE 102  -9.030  -3.442  -0.723
  297   2HG1  ILE 102          2HG1      ILE 102  -9.411  -3.650   0.983
  298   1HG2  ILE 102          1HG2      ILE 102  -6.734  -4.173  -1.580
  299   2HG2  ILE 102          2HG2      ILE 102  -5.453  -4.395  -0.389
  300   3HG2  ILE 102          3HG2      ILE 102  -6.190  -2.809  -0.604
  301   1HD1  ILE 102          1HD1      ILE 102  -7.659  -1.504  -0.189
  302   2HD1  ILE 102          2HD1      ILE 102  -8.018  -1.715   1.525
  303   3HD1  ILE 102          3HD1      ILE 102  -9.310  -1.305   0.395
  304    H    PHE 103           H        PHE 103  -6.568  -6.589   2.387
  305    HA   PHE 103           HA       PHE 103  -4.171  -7.420   1.034
  306   1HB   PHE 103          1HB       PHE 103  -4.230  -6.471   3.350
  307   2HB   PHE 103          2HB       PHE 103  -5.037  -7.938   3.887
  308    HD1  PHE 103           HD1      PHE 103  -1.886  -6.491   2.715
  309    HD2  PHE 103           HD2      PHE 103  -3.823 -10.001   4.145
  310    HE1  PHE 103           HE1      PHE 103   0.308  -7.535   3.123
  311    HE2  PHE 103           HE2      PHE 103  -1.636 -11.050   4.550
  312    HZ   PHE 103           HZ       PHE 103   0.434  -9.814   4.042
  313    H    ALA 104           H        ALA 104  -7.051  -8.936   2.327
  314    HA   ALA 104           HA       ALA 104  -6.080 -11.621   2.097
  315   1HB   ALA 104          1HB       ALA 104  -8.307 -12.294   2.707
  316   2HB   ALA 104          2HB       ALA 104  -8.927 -10.676   2.375
  317   3HB   ALA 104          3HB       ALA 104  -7.816 -10.936   3.720
  318    H    GLY 105           H        GLY 105  -8.544  -9.763   0.299
  319   1HA   GLY 105          1HA       GLY 105  -8.893  -9.823  -2.020
  320   2HA   GLY 105          2HA       GLY 105  -7.824 -11.214  -2.122
  321    H    GLY 106           H        GLY 106 -10.478 -10.863  -3.308
  322   1HA   GLY 106          1HA       GLY 106 -12.092 -12.476  -3.801
  323   2HA   GLY 106          2HA       GLY 106 -11.595 -13.370  -2.374
  324    H    ALA 107           H        ALA 107 -13.723 -10.976  -3.653
  325    HA   ALA 107           HA       ALA 107 -14.982 -10.654  -1.011
  326   1HB   ALA 107          1HB       ALA 107 -15.973  -8.625  -1.831
  327   2HB   ALA 107          2HB       ALA 107 -15.377  -8.938  -3.457
  328   3HB   ALA 107          3HB       ALA 107 -14.240  -8.577  -2.159
  329    HA   PRO 108           HA       PRO 108 -18.061 -13.268  -3.047
  330   1HB   PRO 108          1HB       PRO 108 -18.997 -14.432  -0.818
  331   2HB   PRO 108          2HB       PRO 108 -17.452 -14.901  -1.534
  332   1HG   PRO 108          1HG       PRO 108 -18.001 -13.198   0.846
  333   2HG   PRO 108          2HG       PRO 108 -16.691 -14.359   0.575
  334   1HD   PRO 108          1HD       PRO 108 -16.495 -11.593   0.304
  335   2HD   PRO 108          2HD       PRO 108 -15.365 -12.778  -0.376
  336   1H    MET   1          1H        MET   1  19.530   1.824   3.172
  337   2H    MET   1          2H        MET   1  20.519   0.950   4.229
  338   3H    MET   1          3H        MET   1  20.853   2.576   3.916
  339    HA   MET   1           HA       MET   1  19.831   2.251   6.081
  340   1HB   MET   1          1HB       MET   1  18.130   3.981   5.865
  341   2HB   MET   1          2HB       MET   1  19.516   4.371   4.858
  342   1HG   MET   1          1HG       MET   1  18.271   3.448   2.912
  343   2HG   MET   1          2HG       MET   1  16.865   3.272   3.961
  344   1HE   MET   1          1HE       MET   1  15.893   6.339   1.718
  345   2HE   MET   1          2HE       MET   1  15.430   4.728   2.267
  346   3HE   MET   1          3HE       MET   1  16.831   4.933   1.215
  347    H    GLN   2           H        GLN   2  17.888   1.787   7.267
  348    HA   GLN   2           HA       GLN   2  16.446  -0.472   6.082
  349   1HB   GLN   2          1HB       GLN   2  17.606  -0.905   8.191
  350   2HB   GLN   2          2HB       GLN   2  16.739   0.415   8.960
  351   1HG   GLN   2          1HG       GLN   2  14.612  -0.851   8.459
  352   2HG   GLN   2          2HG       GLN   2  15.641  -2.213   8.012
  353   1HE2  GLN   2          1HE2      GLN   2  14.594  -0.151  10.618
  354   2HE2  GLN   2          2HE2      GLN   2  15.124  -1.171  11.909
  355    H    ILE   3           H        ILE   3  14.455  -0.178   5.379
  356    HA   ILE   3           HA       ILE   3  12.912   2.110   6.405
  357    HB   ILE   3           HB       ILE   3  11.495   1.869   4.396
  358   1HG1  ILE   3          1HG1      ILE   3  13.572  -0.048   3.332
  359   2HG1  ILE   3          2HG1      ILE   3  12.094  -0.607   4.107
  360   1HG2  ILE   3          1HG2      ILE   3  13.119   2.759   2.791
  361   2HG2  ILE   3          2HG2      ILE   3  14.436   2.188   3.816
  362   3HG2  ILE   3          3HG2      ILE   3  13.347   3.446   4.401
  363   1HD1  ILE   3          1HD1      ILE   3  12.211   1.149   1.668
  364   2HD1  ILE   3          2HD1      ILE   3  10.757   0.486   2.417
  365   3HD1  ILE   3          3HD1      ILE   3  11.934  -0.591   1.664
  366    H    PHE   4           H        PHE   4  10.552   1.758   6.643
  367    HA   PHE   4           HA       PHE   4  10.046  -0.964   7.650
  368   1HB   PHE   4          1HB       PHE   4   8.883   1.682   8.533
  369   2HB   PHE   4          2HB       PHE   4   8.320   0.115   9.106
  370    HD1  PHE   4           HD1      PHE   4  10.272   2.810   9.940
  371    HD2  PHE   4           HD2      PHE   4  10.393  -1.443   9.917
  372    HE1  PHE   4           HE1      PHE   4  11.989   2.853  11.699
  373    HE2  PHE   4           HE2      PHE   4  12.107  -1.408  11.681
  374    HZ   PHE   4           HZ       PHE   4  12.906   0.743  12.572
  375    H    VAL   5           H        VAL   5   8.885  -2.077   6.231
  376    HA   VAL   5           HA       VAL   5   6.911  -0.679   4.583
  377    HB   VAL   5           HB       VAL   5   7.640  -3.605   4.439
  378   1HG1  VAL   5          1HG1      VAL   5   6.790  -3.422   2.147
  379   2HG1  VAL   5          2HG1      VAL   5   6.381  -1.733   2.441
  380   3HG1  VAL   5          3HG1      VAL   5   5.559  -3.008   3.340
  381   1HG2  VAL   5          1HG2      VAL   5   9.184  -3.036   2.635
  382   2HG2  VAL   5          2HG2      VAL   5   9.667  -2.268   4.148
  383   3HG2  VAL   5          3HG2      VAL   5   8.863  -1.321   2.896
  384    H    LYS   6           H        LYS   6   5.143  -0.312   5.808
  385    HA   LYS   6           HA       LYS   6   4.054  -2.519   7.404
  386   1HB   LYS   6          1HB       LYS   6   4.452  -0.262   8.454
  387   2HB   LYS   6          2HB       LYS   6   3.192   0.374   7.406
  388   1HG   LYS   6          1HG       LYS   6   1.595  -1.208   8.431
  389   2HG   LYS   6          2HG       LYS   6   2.870  -1.733   9.534
  390   1HD   LYS   6          2HD       LYS   6   3.086   0.665  10.260
  391   2HD   LYS   6          1HD       LYS   6   1.631   1.006   9.324
  392   1HE   LYS   6          2HE       LYS   6   0.371  -0.583  10.669
  393   2HE   LYS   6          1HE       LYS   6   1.828  -0.987  11.576
  394   1HZ   LYS   6          1HZ       LYS   6   0.387   1.607  11.556
  395   2HZ   LYS   6          2HZ       LYS   6   1.904   1.392  12.265
  396   3HZ   LYS   6          3HZ       LYS   6   0.568   0.544  12.858
  397    H    THR   7           H        THR   7   2.365  -3.604   6.708
  398    HA   THR   7           HA       THR   7   1.042  -2.831   4.263
  399    HB   THR   7           HB       THR   7  -0.275  -4.981   4.717
  400    HG1  THR   7           HG1      THR   7   1.802  -5.459   6.600
  401   1HG2  THR   7          1HG2      THR   7   1.712  -6.422   4.170
  402   2HG2  THR   7          2HG2      THR   7   2.726  -5.001   4.410
  403   3HG2  THR   7          3HG2      THR   7   1.511  -5.013   3.130
  404    H    LEU   8           H        LEU   8  -1.448  -3.153   4.239
  405    HA   LEU   8           HA       LEU   8  -2.588  -1.202   5.957
  406   1HB   LEU   8          1HB       LEU   8  -3.820  -3.157   4.022
  407   2HB   LEU   8          2HB       LEU   8  -4.760  -1.981   4.919
  408    HG   LEU   8           HG       LEU   8  -2.608  -1.367   2.890
  409   1HD1  LEU   8          1HD1      LEU   8  -4.629  -2.142   1.840
  410   2HD1  LEU   8          2HD1      LEU   8  -4.500  -0.396   1.624
  411   3HD1  LEU   8          3HD1      LEU   8  -5.604  -1.056   2.831
  412   1HD2  LEU   8          1HD2      LEU   8  -4.273   0.429   4.640
  413   2HD2  LEU   8          2HD2      LEU   8  -3.459   0.986   3.179
  414   3HD2  LEU   8          3HD2      LEU   8  -2.514   0.351   4.526
  415    H    THR   9           H        THR   9  -2.250  -4.629   6.123
  416    HA   THR   9           HA       THR   9  -4.316  -5.032   8.078
  417    HB   THR   9           HB       THR   9  -2.799  -7.262   8.249
  418    HG1  THR   9           HG1      THR   9  -1.570  -7.516   6.517
  419   1HG2  THR   9          1HG2      THR   9  -4.709  -6.671   5.985
  420   2HG2  THR   9          2HG2      THR   9  -5.195  -7.094   7.628
  421   3HG2  THR   9          3HG2      THR   9  -4.312  -8.260   6.642
  422    H    GLY  10           H        GLY  10  -0.740  -5.116   8.114
  423   1HA   GLY  10          1HA       GLY  10  -0.234  -3.726  10.369
  424   2HA   GLY  10          2HA       GLY  10  -0.726  -5.285  11.007
  425    H    LYS  11           H        LYS  11   0.483  -6.664   8.640
  426    HA   LYS  11           HA       LYS  11   2.915  -7.397   9.720
  427   1HB   LYS  11          1HB       LYS  11   1.903  -8.779   8.050
  428   2HB   LYS  11          2HB       LYS  11   1.947  -7.485   6.863
  429   1HG   LYS  11          1HG       LYS  11   4.521  -7.625   7.194
  430   2HG   LYS  11          2HG       LYS  11   4.165  -9.224   7.849
  431   1HD   LYS  11          2HD       LYS  11   3.076  -8.347   5.195
  432   2HD   LYS  11          1HD       LYS  11   4.701  -9.014   5.338
  433   1HE   LYS  11          2HE       LYS  11   2.326 -10.451   6.466
  434   2HE   LYS  11          1HE       LYS  11   2.761 -10.602   4.766
  435   1HZ   LYS  11          1HZ       LYS  11   4.399 -11.361   7.118
  436   2HZ   LYS  11          2HZ       LYS  11   5.025 -11.280   5.547
  437   3HZ   LYS  11          3HZ       LYS  11   3.789 -12.377   5.912
  438    H    THR  12           H        THR  12   4.663  -6.232  10.080
  439    HA   THR  12           HA       THR  12   5.425  -4.140   8.149
  440    HB   THR  12           HB       THR  12   6.317  -4.209  11.023
  441    HG1  THR  12           HG1      THR  12   3.855  -4.066  10.479
  442   1HG2  THR  12          1HG2      THR  12   6.685  -1.830  10.675
  443   2HG2  THR  12          2HG2      THR  12   6.015  -1.943   9.047
  444   3HG2  THR  12          3HG2      THR  12   7.529  -2.758   9.434
  445    H    ILE  13           H        ILE  13   7.051  -4.843   6.923
  446    HA   ILE  13           HA       ILE  13   9.029  -6.664   8.120
  447    HB   ILE  13           HB       ILE  13   9.668  -7.241   5.802
  448   1HG1  ILE  13          1HG1      ILE  13   7.231  -5.660   4.974
  449   2HG1  ILE  13          2HG1      ILE  13   8.881  -5.066   4.820
  450   1HG2  ILE  13          1HG2      ILE  13   8.086  -8.644   6.982
  451   2HG2  ILE  13          2HG2      ILE  13   7.652  -8.557   5.275
  452   3HG2  ILE  13          3HG2      ILE  13   6.750  -7.617   6.464
  453   1HD1  ILE  13          1HD1      ILE  13   8.151  -5.917   2.712
  454   2HD1  ILE  13          2HD1      ILE  13   7.687  -7.452   3.445
  455   3HD1  ILE  13          3HD1      ILE  13   9.388  -6.995   3.362
  456    H    THR  14           H        THR  14  11.244  -6.317   7.785
  457    HA   THR  14           HA       THR  14  11.946  -3.504   7.450
  458    HB   THR  14           HB       THR  14  14.248  -4.410   8.215
  459    HG1  THR  14           HG1      THR  14  13.692  -6.390   9.622
  460   1HG2  THR  14          1HG2      THR  14  13.572  -4.343  10.573
  461   2HG2  THR  14          2HG2      THR  14  11.885  -4.515  10.093
  462   3HG2  THR  14          3HG2      THR  14  12.786  -3.067   9.643
  463    H    LEU  15           H        LEU  15  13.219  -2.762   5.801
  464    HA   LEU  15           HA       LEU  15  14.337  -4.751   3.957
  465   1HB   LEU  15          1HB       LEU  15  12.029  -3.471   3.367
  466   2HB   LEU  15          2HB       LEU  15  13.192  -2.333   2.715
  467    HG   LEU  15           HG       LEU  15  14.196  -4.328   1.459
  468   1HD1  LEU  15          1HD1      LEU  15  12.668  -6.184   1.028
  469   2HD1  LEU  15          2HD1      LEU  15  11.519  -5.515   2.189
  470   3HD1  LEU  15          3HD1      LEU  15  13.094  -6.092   2.737
  471   1HD2  LEU  15          1HD2      LEU  15  13.027  -2.650   0.256
  472   2HD2  LEU  15          2HD2      LEU  15  11.467  -3.216   0.849
  473   3HD2  LEU  15          3HD2      LEU  15  12.387  -4.203  -0.286
  474    H    GLU  16           H        GLU  16  16.358  -4.350   3.415
  475    HA   GLU  16           HA       GLU  16  17.523  -1.783   4.162
  476   1HB   GLU  16          1HB       GLU  16  18.814  -4.379   3.302
  477   2HB   GLU  16          2HB       GLU  16  19.693  -2.925   3.759
  478   1HG   GLU  16          1HG       GLU  16  18.746  -3.037   6.000
  479   2HG   GLU  16          2HG       GLU  16  17.832  -4.475   5.547
  480    H    VAL  17           H        VAL  17  17.437  -0.270   2.675
  481    HA   VAL  17           HA       VAL  17  18.185  -0.927  -0.089
  482    HB   VAL  17           HB       VAL  17  16.416   0.761  -0.837
  483   1HG1  VAL  17          1HG1      VAL  17  15.564  -1.896   0.300
  484   2HG1  VAL  17          2HG1      VAL  17  16.156  -1.574  -1.330
  485   3HG1  VAL  17          3HG1      VAL  17  14.599  -0.926  -0.812
  486   1HG2  VAL  17          1HG2      VAL  17  15.491   0.248   1.977
  487   2HG2  VAL  17          2HG2      VAL  17  14.411   0.824   0.708
  488   3HG2  VAL  17          3HG2      VAL  17  15.801   1.796   1.194
  489    H    GLU  18           H        GLU  18  18.659   1.072  -1.356
  490    HA   GLU  18           HA       GLU  18  19.853   3.140   0.369
  491   1HB   GLU  18          1HB       GLU  18  20.710   2.142  -2.358
  492   2HB   GLU  18          2HB       GLU  18  21.436   3.512  -1.528
  493   1HG   GLU  18          1HG       GLU  18  21.384   0.707  -0.444
  494   2HG   GLU  18          2HG       GLU  18  22.728   1.404  -1.345
  495    HA   PRO  19           HA       PRO  19  17.220   6.212  -1.404
  496   1HB   PRO  19          1HB       PRO  19  19.645   7.810  -2.040
  497   2HB   PRO  19          2HB       PRO  19  18.211   8.261  -1.113
  498   1HG   PRO  19          1HG       PRO  19  20.506   7.727   0.119
  499   2HG   PRO  19          2HG       PRO  19  18.960   7.201   0.808
  500   1HD   PRO  19          1HD       PRO  19  21.025   5.609  -0.650
  501   2HD   PRO  19          2HD       PRO  19  20.024   5.152   0.743
  502    H    SER  20           H        SER  20  20.031   5.226  -3.269
  503    HA   SER  20           HA       SER  20  19.042   6.358  -5.726
  504   1HB   SER  20          1HB       SER  20  21.248   4.337  -5.580
  505   2HB   SER  20          2HB       SER  20  21.065   5.710  -6.671
  506    HG   SER  20           HG       SER  20  21.225   6.962  -4.562
  507    H    ASP  21           H        ASP  21  18.119   3.702  -4.015
  508    HA   ASP  21           HA       ASP  21  17.856   1.867  -6.228
  509   1HB   ASP  21          1HB       ASP  21  17.193   1.805  -3.322
  510   2HB   ASP  21          2HB       ASP  21  16.298   0.727  -4.391
  511    H    THR  22           H        THR  22  16.085   1.475  -7.432
  512    HA   THR  22           HA       THR  22  14.016   3.478  -7.404
  513    HB   THR  22           HB       THR  22  13.110   2.069  -9.351
  514    HG1  THR  22           HG1      THR  22  15.703   0.985  -9.532
  515   1HG2  THR  22          1HG2      THR  22  14.752   2.989 -10.911
  516   2HG2  THR  22          2HG2      THR  22  15.870   3.275  -9.576
  517   3HG2  THR  22          3HG2      THR  22  14.344   4.159  -9.659
  518    H    ILE  23           H        ILE  23  11.757   3.001  -7.288
  519    HA   ILE  23           HA       ILE  23  11.002   1.375  -5.144
  520    HB   ILE  23           HB       ILE  23   9.255   2.343  -7.414
  521   1HG1  ILE  23          1HG1      ILE  23  10.454   4.187  -6.358
  522   2HG1  ILE  23          2HG1      ILE  23   8.749   4.248  -5.932
  523   1HG2  ILE  23          1HG2      ILE  23   8.523   1.498  -4.614
  524   2HG2  ILE  23          2HG2      ILE  23   8.183   0.598  -6.092
  525   3HG2  ILE  23          3HG2      ILE  23   7.415   2.163  -5.814
  526   1HD1  ILE  23          1HD1      ILE  23  10.048   4.764  -3.998
  527   2HD1  ILE  23          2HD1      ILE  23  11.023   3.309  -4.203
  528   3HD1  ILE  23          3HD1      ILE  23   9.320   3.174  -3.765
  529    H    GLU  24           H        GLU  24  11.289   0.732  -8.544
  530    HA   GLU  24           HA       GLU  24   9.882  -1.675  -8.746
  531   1HB   GLU  24          1HB       GLU  24  10.652  -0.490 -10.702
  532   2HB   GLU  24          2HB       GLU  24  12.326  -0.663 -10.205
  533   1HG   GLU  24          1HG       GLU  24  12.041  -3.139 -10.439
  534   2HG   GLU  24          2HG       GLU  24  10.465  -2.818 -11.158
  535    H    ASN  25           H        ASN  25  13.292  -1.045  -7.962
  536    HA   ASN  25           HA       ASN  25  13.996  -3.777  -7.615
  537   1HB   ASN  25          1HB       ASN  25  15.552  -1.743  -7.992
  538   2HB   ASN  25          2HB       ASN  25  15.422  -1.499  -6.252
  539   1HD2  ASN  25          1HD2      ASN  25  17.610  -1.926  -5.915
  540   2HD2  ASN  25          2HD2      ASN  25  18.263  -3.527  -6.059
  541    H    VAL  26           H        VAL  26  12.686  -1.295  -5.541
  542    HA   VAL  26           HA       VAL  26  13.102  -2.563  -3.053
  543    HB   VAL  26           HB       VAL  26  10.890  -0.660  -3.866
  544   1HG1  VAL  26          1HG1      VAL  26  10.655  -0.192  -1.479
  545   2HG1  VAL  26          2HG1      VAL  26  11.858  -1.429  -1.114
  546   3HG1  VAL  26          3HG1      VAL  26  10.314  -1.887  -1.834
  547   1HG2  VAL  26          1HG2      VAL  26  12.296   1.059  -2.814
  548   2HG2  VAL  26          2HG2      VAL  26  13.094   0.301  -4.192
  549   3HG2  VAL  26          3HG2      VAL  26  13.554  -0.149  -2.549
  550    H    LYS  27           H        LYS  27  10.387  -2.622  -5.339
  551    HA   LYS  27           HA       LYS  27   8.714  -4.342  -3.869
  552   1HB   LYS  27          1HB       LYS  27   8.951  -3.857  -6.841
  553   2HB   LYS  27          2HB       LYS  27   7.694  -4.855  -6.126
  554   1HG   LYS  27          1HG       LYS  27   6.927  -2.907  -4.830
  555   2HG   LYS  27          2HG       LYS  27   8.145  -1.918  -5.641
  556   1HD   LYS  27          2HD       LYS  27   7.122  -2.346  -7.788
  557   2HD   LYS  27          1HD       LYS  27   5.970  -3.461  -7.053
  558   1HE   LYS  27          2HE       LYS  27   5.049  -1.604  -5.730
  559   2HE   LYS  27          1HE       LYS  27   6.178  -0.502  -6.517
  560   1HZ   LYS  27          1HZ       LYS  27   3.907  -0.525  -7.481
  561   2HZ   LYS  27          2HZ       LYS  27   4.171  -2.116  -7.988
  562   3HZ   LYS  27          3HZ       LYS  27   5.132  -0.861  -8.604
  563    H    ALA  28           H        ALA  28  11.240  -4.964  -6.247
  564    HA   ALA  28           HA       ALA  28  10.884  -7.737  -6.498
  565   1HB   ALA  28          1HB       ALA  28  13.152  -7.778  -7.388
  566   2HB   ALA  28          2HB       ALA  28  13.443  -6.155  -6.762
  567   3HB   ALA  28          3HB       ALA  28  12.252  -6.408  -8.039
  568    H    LYS  29           H        LYS  29  12.658  -5.787  -4.179
  569    HA   LYS  29           HA       LYS  29  14.011  -7.908  -2.882
  570   1HB   LYS  29          1HB       LYS  29  13.288  -5.099  -2.104
  571   2HB   LYS  29          2HB       LYS  29  14.027  -6.187  -0.938
  572   1HG   LYS  29          1HG       LYS  29  16.003  -6.369  -2.216
  573   2HG   LYS  29          2HG       LYS  29  15.247  -5.610  -3.620
  574   1HD   LYS  29          2HD       LYS  29  15.210  -3.494  -2.578
  575   2HD   LYS  29          1HD       LYS  29  15.566  -4.184  -0.993
  576   1HE   LYS  29          2HE       LYS  29  17.512  -4.542  -3.226
  577   2HE   LYS  29          1HE       LYS  29  17.439  -2.994  -2.387
  578   1HZ   LYS  29          1HZ       LYS  29  17.787  -5.592  -0.994
  579   2HZ   LYS  29          2HZ       LYS  29  17.968  -4.041  -0.337
  580   3HZ   LYS  29          3HZ       LYS  29  19.079  -4.614  -1.478
  581    H    ILE  30           H        ILE  30  10.906  -6.307  -2.323
  582    HA   ILE  30           HA       ILE  30  10.240  -7.701   0.044
  583    HB   ILE  30           HB       ILE  30   8.402  -6.477  -2.026
  584   1HG1  ILE  30          1HG1      ILE  30   9.391  -5.353   0.604
  585   2HG1  ILE  30          2HG1      ILE  30  10.035  -4.917  -0.974
  586   1HG2  ILE  30          1HG2      ILE  30   7.848  -7.367   0.802
  587   2HG2  ILE  30          2HG2      ILE  30   7.179  -8.057  -0.676
  588   3HG2  ILE  30          3HG2      ILE  30   6.741  -6.418  -0.192
  589   1HD1  ILE  30          1HD1      ILE  30   7.215  -4.453  -0.031
  590   2HD1  ILE  30          2HD1      ILE  30   7.860  -4.010  -1.611
  591   3HD1  ILE  30          3HD1      ILE  30   8.488  -3.237  -0.155
  592    H    GLN  31           H        GLN  31   9.756  -8.363  -3.373
  593    HA   GLN  31           HA       GLN  31   8.115 -10.660  -3.050
  594   1HB   GLN  31          1HB       GLN  31   8.220  -9.412  -5.157
  595   2HB   GLN  31          2HB       GLN  31   9.913  -9.843  -5.340
  596   1HG   GLN  31          1HG       GLN  31   9.105 -12.270  -5.302
  597   2HG   GLN  31          2HG       GLN  31   7.499 -11.595  -5.574
  598   1HE2  GLN  31          1HE2      GLN  31   7.313 -12.529  -7.596
  599   2HE2  GLN  31          2HE2      GLN  31   8.211 -11.975  -8.965
  600    H    ASP  32           H        ASP  32  11.516 -10.084  -2.920
  601    HA   ASP  32           HA       ASP  32  12.392 -12.749  -3.353
  602   1HB   ASP  32          1HB       ASP  32  13.801 -10.700  -3.631
  603   2HB   ASP  32          2HB       ASP  32  13.828 -10.536  -1.878
  604    H    LYS  33           H        LYS  33  11.644 -10.879  -0.429
  605    HA   LYS  33           HA       LYS  33  12.305 -13.229   1.177
  606   1HB   LYS  33          1HB       LYS  33  11.938 -11.693   3.134
  607   2HB   LYS  33          2HB       LYS  33  13.274 -11.280   2.075
  608   1HG   LYS  33          1HG       LYS  33  12.122  -9.441   1.174
  609   2HG   LYS  33          2HG       LYS  33  10.578  -9.982   1.836
  610   1HD   LYS  33          2HD       LYS  33  11.478  -8.117   3.135
  611   2HD   LYS  33          1HD       LYS  33  11.412  -9.588   4.108
  612   1HE   LYS  33          2HE       LYS  33  13.851  -9.935   3.461
  613   2HE   LYS  33          1HE       LYS  33  13.818  -8.279   2.857
  614   1HZ   LYS  33          1HZ       LYS  33  14.658  -8.358   5.106
  615   2HZ   LYS  33          2HZ       LYS  33  13.255  -9.125   5.650
  616   3HZ   LYS  33          3HZ       LYS  33  13.184  -7.531   5.078
  617    H    GLU  34           H        GLU  34   9.508 -11.130   0.518
  618    HA   GLU  34           HA       GLU  34   7.849 -12.798   2.228
  619   1HB   GLU  34          1HB       GLU  34   7.262 -10.303   0.641
  620   2HB   GLU  34          2HB       GLU  34   6.046 -11.176   1.565
  621   1HG   GLU  34          1HG       GLU  34   8.518  -9.844   2.640
  622   2HG   GLU  34          2HG       GLU  34   6.849  -9.319   2.853
  623    H    GLY  35           H        GLY  35   8.329 -12.162  -1.191
  624   1HA   GLY  35          1HA       GLY  35   7.859 -13.725  -2.888
  625   2HA   GLY  35          2HA       GLY  35   6.782 -14.567  -1.784
  626    H    ILE  36           H        ILE  36   6.045 -11.392  -1.486
  627    HA   ILE  36           HA       ILE  36   3.565 -11.625  -2.837
  628    HB   ILE  36           HB       ILE  36   4.902  -9.081  -1.893
  629   1HG1  ILE  36          1HG1      ILE  36   2.952 -10.812  -0.364
  630   2HG1  ILE  36          2HG1      ILE  36   4.697 -10.891  -0.140
  631   1HG2  ILE  36          1HG2      ILE  36   1.987  -9.733  -2.329
  632   2HG2  ILE  36          2HG2      ILE  36   2.986  -8.744  -3.394
  633   3HG2  ILE  36          3HG2      ILE  36   2.636  -8.197  -1.755
  634   1HD1  ILE  36          1HD1      ILE  36   3.688  -9.536   1.579
  635   2HD1  ILE  36          2HD1      ILE  36   2.933  -8.508   0.362
  636   3HD1  ILE  36          3HD1      ILE  36   4.687  -8.528   0.531
  637    HA   PRO  37           HA       PRO  37   5.122 -10.750  -6.954
  638   1HB   PRO  37          1HB       PRO  37   2.257 -10.290  -7.532
  639   2HB   PRO  37          2HB       PRO  37   3.390 -11.409  -8.293
  640   1HG   PRO  37          1HG       PRO  37   1.465 -12.273  -6.648
  641   2HG   PRO  37          2HG       PRO  37   3.064 -13.038  -6.689
  642   1HD   PRO  37          1HD       PRO  37   1.920 -11.128  -4.695
  643   2HD   PRO  37          2HD       PRO  37   2.970 -12.536  -4.439
  644    HA   PRO  38           HA       PRO  38   5.402  -6.276  -6.600
  645   1HB   PRO  38          1HB       PRO  38   6.148  -6.652  -9.467
  646   2HB   PRO  38          2HB       PRO  38   6.953  -5.703  -8.212
  647   1HG   PRO  38          1HG       PRO  38   7.950  -8.045  -8.949
  648   2HG   PRO  38          2HG       PRO  38   7.929  -7.577  -7.238
  649   1HD   PRO  38          1HD       PRO  38   6.177  -9.502  -8.699
  650   2HD   PRO  38          2HD       PRO  38   6.801  -9.577  -7.040
  651    H    ASP  39           H        ASP  39   3.746  -7.980  -9.190
  652    HA   ASP  39           HA       ASP  39   2.367  -5.873 -10.394
  653   1HB   ASP  39          1HB       ASP  39   2.377  -8.062 -11.403
  654   2HB   ASP  39          2HB       ASP  39   1.603  -8.774  -9.995
  655    H    GLN  40           H        GLN  40   1.746  -7.647  -7.449
  656    HA   GLN  40           HA       GLN  40  -0.781  -6.222  -7.031
  657   1HB   GLN  40          1HB       GLN  40   0.363  -8.468  -5.369
  658   2HB   GLN  40          2HB       GLN  40  -1.297  -7.888  -5.390
  659   1HG   GLN  40          1HG       GLN  40  -1.646  -8.759  -7.588
  660   2HG   GLN  40          2HG       GLN  40   0.060  -9.172  -7.750
  661   1HE2  GLN  40          1HE2      GLN  40  -1.878  -9.668  -4.871
  662   2HE2  GLN  40          2HE2      GLN  40  -1.835 -11.396  -4.917
  663    H    GLN  41           H        GLN  41   2.262  -5.477  -6.562
  664    HA   GLN  41           HA       GLN  41   2.053  -4.679  -3.752
  665   1HB   GLN  41          1HB       GLN  41   4.348  -4.720  -5.698
  666   2HB   GLN  41          2HB       GLN  41   4.450  -3.921  -4.140
  667   1HG   GLN  41          1HG       GLN  41   3.810  -6.180  -3.137
  668   2HG   GLN  41          2HG       GLN  41   4.173  -6.845  -4.732
  669   1HE2  GLN  41          1HE2      GLN  41   5.973  -8.003  -4.112
  670   2HE2  GLN  41          2HE2      GLN  41   7.444  -7.241  -3.609
  671    H    ARG  42           H        ARG  42   1.319  -2.720  -3.294
  672    HA   ARG  42           HA       ARG  42   1.986  -0.524  -5.128
  673   1HB   ARG  42          1HB       ARG  42  -0.650  -1.348  -4.109
  674   2HB   ARG  42          2HB       ARG  42  -0.308   0.370  -3.943
  675   1HG   ARG  42          1HG       ARG  42  -0.851   0.662  -6.068
  676   2HG   ARG  42          2HG       ARG  42   0.494  -0.378  -6.541
  677   1HD   ARG  42          1HD       ARG  42  -1.391  -1.363  -7.523
  678   2HD   ARG  42          2HD       ARG  42  -1.076  -2.332  -6.084
  679    HE   ARG  42           HE       ARG  42  -3.227  -0.327  -6.370
  680   1HH1  ARG  42          1HH1      ARG  42  -1.836  -3.087  -4.728
  681   2HH1  ARG  42          2HH1      ARG  42  -3.262  -3.413  -3.794
  682   1HH2  ARG  42          1HH2      ARG  42  -5.082  -0.728  -5.157
  683   2HH2  ARG  42          2HH2      ARG  42  -5.127  -2.068  -4.047
  684    H    LEU  43           H        LEU  43   3.535   0.506  -4.082
  685    HA   LEU  43           HA       LEU  43   3.463   0.723  -1.186
  686   1HB   LEU  43          1HB       LEU  43   5.510   1.467  -3.259
  687   2HB   LEU  43          2HB       LEU  43   5.677   1.917  -1.573
  688    HG   LEU  43           HG       LEU  43   5.315  -0.951  -2.390
  689   1HD1  LEU  43          1HD1      LEU  43   7.908   0.569  -2.155
  690   2HD1  LEU  43          2HD1      LEU  43   7.229  -0.121  -3.630
  691   3HD1  LEU  43          3HD1      LEU  43   7.754  -1.181  -2.321
  692   1HD2  LEU  43          1HD2      LEU  43   6.545   0.387   0.018
  693   2HD2  LEU  43          2HD2      LEU  43   6.452  -1.352  -0.255
  694   3HD2  LEU  43          3HD2      LEU  43   4.975  -0.415  -0.042
  695    H    ILE  44           H        ILE  44   2.554   2.353  -0.197
  696    HA   ILE  44           HA       ILE  44   2.253   4.907  -1.643
  697    HB   ILE  44           HB       ILE  44   0.581   3.990   0.692
  698   1HG1  ILE  44          1HG1      ILE  44   0.245   2.426  -1.172
  699   2HG1  ILE  44          2HG1      ILE  44  -1.184   3.418  -0.911
  700   1HG2  ILE  44          1HG2      ILE  44   0.664   6.399   0.303
  701   2HG2  ILE  44          2HG2      ILE  44  -0.941   5.748  -0.024
  702   3HG2  ILE  44          3HG2      ILE  44   0.137   6.150  -1.361
  703   1HD1  ILE  44          1HD1      ILE  44  -0.526   4.835  -2.803
  704   2HD1  ILE  44          2HD1      ILE  44  -0.754   3.151  -3.271
  705   3HD1  ILE  44          3HD1      ILE  44   0.875   3.797  -3.073
  706    H    PHE  45           H        PHE  45   3.072   6.713  -0.740
  707    HA   PHE  45           HA       PHE  45   4.159   6.484   1.989
  708   1HB   PHE  45          1HB       PHE  45   5.939   6.582   0.248
  709   2HB   PHE  45          2HB       PHE  45   5.298   8.131  -0.286
  710    HD1  PHE  45           HD1      PHE  45   5.752   6.910   3.199
  711    HD2  PHE  45           HD2      PHE  45   7.039   9.599   0.161
  712    HE1  PHE  45           HE1      PHE  45   7.192   8.059   4.828
  713    HE2  PHE  45           HE2      PHE  45   8.478  10.752   1.786
  714    HZ   PHE  45           HZ       PHE  45   8.558   9.980   4.124
  715    H    ALA  46           H        ALA  46   2.506   7.392   3.060
  716    HA   ALA  46           HA       ALA  46   1.254   9.004   4.015
  717   1HB   ALA  46          1HB       ALA  46   2.827  10.998   2.391
  718   2HB   ALA  46          2HB       ALA  46   3.359  10.320   3.929
  719   3HB   ALA  46          3HB       ALA  46   1.900  11.305   3.858
  720    H    GLY  47           H        GLY  47   1.700  10.681   0.920
  721   1HA   GLY  47          1HA       GLY  47  -1.072  10.003   0.213
  722   2HA   GLY  47          2HA       GLY  47  -0.583  11.691   0.263
  723    H    LYS  48           H        LYS  48   1.947   9.696  -0.678
  724    HA   LYS  48           HA       LYS  48   1.425  10.317  -3.509
  725   1HB   LYS  48          1HB       LYS  48   4.047  10.248  -2.013
  726   2HB   LYS  48          2HB       LYS  48   3.916  10.385  -3.762
  727   1HG   LYS  48          1HG       LYS  48   2.841  12.501  -3.590
  728   2HG   LYS  48          2HG       LYS  48   2.679  12.339  -1.842
  729   1HD   LYS  48          2HD       LYS  48   5.310  12.459  -3.304
  730   2HD   LYS  48          1HD       LYS  48   4.526  13.848  -2.549
  731   1HE   LYS  48          2HE       LYS  48   4.499  12.266  -0.447
  732   2HE   LYS  48          1HE       LYS  48   5.828  11.477  -1.296
  733   1HZ   LYS  48          1HZ       LYS  48   7.009  13.562  -1.349
  734   2HZ   LYS  48          2HZ       LYS  48   6.586  13.193   0.245
  735   3HZ   LYS  48          3HZ       LYS  48   5.716  14.362  -0.609
  736    H    GLN  49           H        GLN  49   1.427   8.685  -4.901
  737    HA   GLN  49           HA       GLN  49   1.886   5.996  -3.947
  738   1HB   GLN  49          1HB       GLN  49  -0.002   6.672  -5.494
  739   2HB   GLN  49          2HB       GLN  49   1.206   6.894  -6.750
  740   1HG   GLN  49          1HG       GLN  49   1.797   4.564  -6.658
  741   2HG   GLN  49          2HG       GLN  49   0.709   4.310  -5.292
  742   1HE2  GLN  49          1HE2      GLN  49  -1.514   4.342  -5.640
  743   2HE2  GLN  49          2HE2      GLN  49  -2.193   4.115  -7.214
  744    H    LEU  50           H        LEU  50   3.759   4.930  -4.142
  745    HA   LEU  50           HA       LEU  50   5.988   6.213  -5.429
  746   1HB   LEU  50          1HB       LEU  50   5.913   3.456  -4.214
  747   2HB   LEU  50          2HB       LEU  50   7.326   4.446  -4.512
  748    HG   LEU  50           HG       LEU  50   5.202   4.881  -2.416
  749   1HD1  LEU  50          1HD1      LEU  50   7.108   3.224  -2.080
  750   2HD1  LEU  50          2HD1      LEU  50   6.891   4.468  -0.849
  751   3HD1  LEU  50          3HD1      LEU  50   8.169   4.634  -2.052
  752   1HD2  LEU  50          1HD2      LEU  50   5.740   7.044  -3.322
  753   2HD2  LEU  50          2HD2      LEU  50   7.466   6.694  -3.228
  754   3HD2  LEU  50          3HD2      LEU  50   6.521   6.860  -1.751
  755    H    GLU  51           H        GLU  51   6.169   6.149  -7.542
  756    HA   GLU  51           HA       GLU  51   5.168   3.987  -9.147
  757   1HB   GLU  51          1HB       GLU  51   5.032   6.157 -10.096
  758   2HB   GLU  51          2HB       GLU  51   6.714   6.504  -9.729
  759   1HG   GLU  51          1HG       GLU  51   7.137   4.484 -11.359
  760   2HG   GLU  51          2HG       GLU  51   5.539   4.936 -11.955
  761    H    ASP  52           H        ASP  52   6.312   2.407 -10.187
  762    HA   ASP  52           HA       ASP  52   8.535   1.278  -9.005
  763   1HB   ASP  52          1HB       ASP  52   7.283   0.960 -11.707
  764   2HB   ASP  52          2HB       ASP  52   8.784   0.120 -11.338
  765    H    GLY  53           H        GLY  53   8.447   3.419 -11.829
  766   1HA   GLY  53          1HA       GLY  53  11.264   3.196 -12.321
  767   2HA   GLY  53          2HA       GLY  53  10.151   4.294 -13.114
  768    H    ARG  54           H        ARG  54   9.804   4.701  -9.815
  769    HA   ARG  54           HA       ARG  54  11.530   7.069  -9.936
  770   1HB   ARG  54          1HB       ARG  54   9.260   6.356  -8.079
  771   2HB   ARG  54          2HB       ARG  54  10.253   7.796  -7.904
  772   1HG   ARG  54          1HG       ARG  54   8.495   7.128 -10.255
  773   2HG   ARG  54          2HG       ARG  54   8.141   8.304  -8.988
  774   1HD   ARG  54          1HD       ARG  54   9.049   9.783 -10.401
  775   2HD   ARG  54          2HD       ARG  54  10.591   9.131  -9.846
  776    HE   ARG  54           HE       ARG  54   9.458   7.667 -12.049
  777   1HH1  ARG  54          1HH1      ARG  54  11.404  10.441 -11.141
  778   2HH1  ARG  54          2HH1      ARG  54  12.207  10.538 -12.678
  779   1HH2  ARG  54          1HH2      ARG  54  10.529   7.784 -14.064
  780   2HH2  ARG  54          2HH2      ARG  54  11.713   9.022 -14.343
  781    H    THR  55           H        THR  55  12.735   7.653  -7.991
  782    HA   THR  55           HA       THR  55  13.872   5.273  -6.705
  783    HB   THR  55           HB       THR  55  15.614   7.111  -5.976
  784    HG1  THR  55           HG1      THR  55  14.789   8.249  -8.436
  785   1HG2  THR  55          1HG2      THR  55  16.920   6.658  -7.992
  786   2HG2  THR  55          2HG2      THR  55  15.466   6.096  -8.819
  787   3HG2  THR  55          3HG2      THR  55  16.098   5.199  -7.439
  788    H    LEU  56           H        LEU  56  14.674   5.728  -4.389
  789    HA   LEU  56           HA       LEU  56  12.431   6.432  -2.804
  790   1HB   LEU  56          1HB       LEU  56  15.316   5.967  -2.050
  791   2HB   LEU  56          2HB       LEU  56  14.020   6.178  -0.889
  792    HG   LEU  56           HG       LEU  56  14.137   3.943  -2.921
  793   1HD1  LEU  56          1HD1      LEU  56  14.723   2.508  -1.039
  794   2HD1  LEU  56          2HD1      LEU  56  14.795   3.916   0.020
  795   3HD1  LEU  56          3HD1      LEU  56  15.949   3.747  -1.303
  796   1HD2  LEU  56          1HD2      LEU  56  11.873   4.449  -2.259
  797   2HD2  LEU  56          2HD2      LEU  56  12.335   4.450  -0.557
  798   3HD2  LEU  56          3HD2      LEU  56  12.385   2.951  -1.481
  799    H    SER  57           H        SER  57  15.330   8.137  -3.807
  800    HA   SER  57           HA       SER  57  14.949  10.348  -2.044
  801   1HB   SER  57          1HB       SER  57  16.570  11.363  -3.922
  802   2HB   SER  57          2HB       SER  57  17.149  10.268  -2.665
  803    HG   SER  57           HG       SER  57  17.010   9.902  -5.355
  804    H    ASP  58           H        ASP  58  13.542   9.392  -5.000
  805    HA   ASP  58           HA       ASP  58  12.958  11.899  -6.162
  806   1HB   ASP  58          1HB       ASP  58  12.706   9.451  -7.098
  807   2HB   ASP  58          2HB       ASP  58  11.086   9.569  -6.422
  808    H    TYR  59           H        TYR  59  11.309   9.929  -3.751
  809    HA   TYR  59           HA       TYR  59   9.211  11.967  -3.502
  810   1HB   TYR  59          1HB       TYR  59   9.383   9.178  -2.355
  811   2HB   TYR  59          2HB       TYR  59   8.037  10.285  -2.114
  812    HD1  TYR  59           HD1      TYR  59   9.553   7.865  -4.303
  813    HD2  TYR  59           HD2      TYR  59   6.652  10.970  -4.101
  814    HE1  TYR  59           HE1      TYR  59   8.506   7.015  -6.356
  815    HE2  TYR  59           HE2      TYR  59   5.596  10.127  -6.157
  816    HH   TYR  59           HH       TYR  59   6.289   8.777  -8.154
  817    H    ASN  60           H        ASN  60  12.134  11.778  -2.382
  818    HA   ASN  60           HA       ASN  60  13.264  12.468  -0.534
  819   1HB   ASN  60          1HB       ASN  60  11.766  14.440  -0.811
  820   2HB   ASN  60          2HB       ASN  60  10.611  13.684   0.276
  821   1HD2  ASN  60          1HD2      ASN  60  14.140  13.830   0.515
  822   2HD2  ASN  60          2HD2      ASN  60  14.172  14.698   2.009
  823    H    ILE  61           H        ILE  61  12.611   9.894  -0.387
  824    HA   ILE  61           HA       ILE  61  11.362   9.387   2.199
  825    HB   ILE  61           HB       ILE  61  12.435   7.477   0.116
  826   1HG1  ILE  61          1HG1      ILE  61   9.587   8.061   0.956
  827   2HG1  ILE  61          2HG1      ILE  61  10.359   8.734  -0.476
  828   1HG2  ILE  61          1HG2      ILE  61  12.661   6.503   2.331
  829   2HG2  ILE  61          2HG2      ILE  61  11.363   5.704   1.442
  830   3HG2  ILE  61          3HG2      ILE  61  10.978   6.888   2.689
  831   1HD1  ILE  61          1HD1      ILE  61   9.942   5.795   0.026
  832   2HD1  ILE  61          2HD1      ILE  61  10.572   6.539  -1.444
  833   3HD1  ILE  61          3HD1      ILE  61   8.899   6.816  -0.963
  834    H    GLN  62           H        GLN  62  12.546   9.420   3.971
  835    HA   GLN  62           HA       GLN  62  15.441   9.066   3.778
  836   1HB   GLN  62          1HB       GLN  62  13.613  10.326   5.795
  837   2HB   GLN  62          2HB       GLN  62  15.229   9.828   6.276
  838   1HG   GLN  62          1HG       GLN  62  16.223  11.275   4.641
  839   2HG   GLN  62          2HG       GLN  62  14.640  11.681   3.979
  840   1HE2  GLN  62          1HE2      GLN  62  15.159  11.362   7.407
  841   2HE2  GLN  62          2HE2      GLN  62  15.040  13.049   7.780
  842    H    LYS  63           H        LYS  63  16.203   8.123   6.156
  843    HA   LYS  63           HA       LYS  63  15.455   5.366   5.976
  844   1HB   LYS  63          1HB       LYS  63  17.188   4.930   7.514
  845   2HB   LYS  63          2HB       LYS  63  17.770   6.254   6.517
  846   1HG   LYS  63          1HG       LYS  63  16.897   7.776   8.389
  847   2HG   LYS  63          2HG       LYS  63  16.851   6.308   9.365
  848   1HD   LYS  63          2HD       LYS  63  19.299   6.004   8.518
  849   2HD   LYS  63          1HD       LYS  63  19.201   7.735   8.188
  850   1HE   LYS  63          2HE       LYS  63  20.074   7.634  10.346
  851   2HE   LYS  63          1HE       LYS  63  18.357   7.942  10.602
  852   1HZ   LYS  63          1HZ       LYS  63  19.000   6.245  12.091
  853   2HZ   LYS  63          2HZ       LYS  63  19.789   5.367  10.888
  854   3HZ   LYS  63          3HZ       LYS  63  18.099   5.484  10.878
  855    H    GLU  64           H        GLU  64  14.674   4.062   7.728
  856    HA   GLU  64           HA       GLU  64  13.164   3.490   9.299
  857   1HB   GLU  64          1HB       GLU  64  14.357   5.972  10.392
  858   2HB   GLU  64          2HB       GLU  64  12.871   5.411  11.145
  859   1HG   GLU  64          1HG       GLU  64  13.990   3.902  12.298
  860   2HG   GLU  64          2HG       GLU  64  14.605   3.185  10.810
  861    H    SER  65           H        SER  65  12.305   5.051   6.916
  862    HA   SER  65           HA       SER  65   9.943   6.439   7.873
  863   1HB   SER  65          1HB       SER  65  10.837   5.854   5.037
  864   2HB   SER  65          2HB       SER  65   9.526   6.936   5.509
  865    HG   SER  65           HG       SER  65  12.252   7.334   5.536
  866    H    THR  66           H        THR  66   7.872   5.675   7.739
  867    HA   THR  66           HA       THR  66   7.637   2.809   7.246
  868    HB   THR  66           HB       THR  66   5.595   4.658   8.489
  869    HG1  THR  66           HG1      THR  66   6.859   2.962  10.194
  870   1HG2  THR  66          1HG2      THR  66   4.653   2.581   9.391
  871   2HG2  THR  66          2HG2      THR  66   5.891   1.651   8.547
  872   3HG2  THR  66          3HG2      THR  66   4.682   2.549   7.629
  873    H    LEU  67           H        LEU  67   7.232   2.339   5.207
  874    HA   LEU  67           HA       LEU  67   5.444   4.004   3.606
  875   1HB   LEU  67          1HB       LEU  67   6.872   1.485   2.755
  876   2HB   LEU  67          2HB       LEU  67   6.183   2.722   1.721
  877    HG   LEU  67           HG       LEU  67   8.604   3.081   3.491
  878   1HD1  LEU  67          1HD1      LEU  67   9.867   3.121   1.419
  879   2HD1  LEU  67          2HD1      LEU  67   8.395   2.827   0.497
  880   3HD1  LEU  67          3HD1      LEU  67   9.010   1.589   1.591
  881   1HD2  LEU  67          1HD2      LEU  67   7.379   4.924   1.445
  882   2HD2  LEU  67          2HD2      LEU  67   8.878   5.205   2.332
  883   3HD2  LEU  67          3HD2      LEU  67   7.341   5.151   3.194
  884    H    HIS  68           H        HIS  68   3.539   3.110   2.619
  885    HA   HIS  68           HA       HIS  68   2.473   0.852   4.175
  886   1HB   HIS  68          1HB       HIS  68   1.122   3.159   2.786
  887   2HB   HIS  68          2HB       HIS  68   0.226   1.726   3.279
  888    HD1  HIS  68           HD1      HIS  68  -1.154   3.073   5.017
  889    HD2  HIS  68           HD2      HIS  68   2.950   3.129   5.681
  890    HE1  HIS  68           HE1      HIS  68  -0.852   4.001   7.327
  891    HE2  HIS  68           HE2      HIS  68   1.634   4.184   7.639
  892    H    LEU  69           H        LEU  69   2.265  -1.029   3.221
  893    HA   LEU  69           HA       LEU  69   2.446  -1.149   0.303
  894   1HB   LEU  69          1HB       LEU  69   4.048  -2.481   1.601
  895   2HB   LEU  69          2HB       LEU  69   2.722  -3.331   2.371
  896    HG   LEU  69           HG       LEU  69   2.062  -4.233   0.145
  897   1HD1  LEU  69          1HD1      LEU  69   4.628  -2.922  -0.747
  898   2HD1  LEU  69          2HD1      LEU  69   2.996  -2.529  -1.292
  899   3HD1  LEU  69          3HD1      LEU  69   3.705  -4.094  -1.688
  900   1HD2  LEU  69          1HD2      LEU  69   4.906  -4.820   0.969
  901   2HD2  LEU  69          2HD2      LEU  69   3.863  -5.864   0.002
  902   3HD2  LEU  69          3HD2      LEU  69   3.460  -5.530   1.687
  903    H    VAL  70           H        VAL  70   0.610  -1.176  -0.742
  904    HA   VAL  70           HA       VAL  70  -1.753  -2.406   0.480
  905    HB   VAL  70           HB       VAL  70  -1.606  -0.706  -2.016
  906   1HG1  VAL  70          1HG1      VAL  70  -4.008  -0.443  -1.709
  907   2HG1  VAL  70          2HG1      VAL  70  -3.948  -1.479  -0.282
  908   3HG1  VAL  70          3HG1      VAL  70  -3.576  -2.145  -1.872
  909   1HG2  VAL  70          1HG2      VAL  70  -2.407   1.149  -0.648
  910   2HG2  VAL  70          2HG2      VAL  70  -0.840   0.571  -0.079
  911   3HG2  VAL  70          3HG2      VAL  70  -2.308   0.137   0.795
  912    H    LEU  71           H        LEU  71  -2.378  -4.363  -0.183
  913    HA   LEU  71           HA       LEU  71  -1.102  -5.538  -2.521
  914   1HB   LEU  71          1HB       LEU  71  -2.390  -6.555  -0.077
  915   2HB   LEU  71          2HB       LEU  71  -2.719  -7.497  -1.518
  916    HG   LEU  71           HG       LEU  71  -0.227  -7.640  -1.879
  917   1HD1  LEU  71          1HD1      LEU  71   1.232  -7.185   0.000
  918   2HD1  LEU  71          2HD1      LEU  71  -0.134  -6.611   0.955
  919   3HD1  LEU  71          3HD1      LEU  71   0.384  -5.712  -0.471
  920   1HD2  LEU  71          1HD2      LEU  71   0.078  -9.375  -0.150
  921   2HD2  LEU  71          2HD2      LEU  71  -1.467  -9.510  -0.991
  922   3HD2  LEU  71          3HD2      LEU  71  -1.402  -8.823   0.633
  923    H    ARG  72           H        ARG  72  -2.641  -7.118  -3.747
  924    HA   ARG  72           HA       ARG  72  -5.353  -6.253  -4.064
  925   1HB   ARG  72          1HB       ARG  72  -4.176  -4.488  -5.344
  926   2HB   ARG  72          2HB       ARG  72  -3.408  -5.725  -6.331
  927   1HG   ARG  72          1HG       ARG  72  -5.498  -6.365  -7.292
  928   2HG   ARG  72          2HG       ARG  72  -6.391  -5.357  -6.153
  929   1HD   ARG  72          1HD       ARG  72  -6.299  -4.253  -8.293
  930   2HD   ARG  72          2HD       ARG  72  -5.322  -3.356  -7.132
  931    HE   ARG  72           HE       ARG  72  -3.796  -5.244  -8.662
  932   1HH1  ARG  72          1HH1      ARG  72  -5.184  -2.023  -8.705
  933   2HH1  ARG  72          2HH1      ARG  72  -4.023  -1.401  -9.835
  934   1HH2  ARG  72          1HH2      ARG  72  -2.278  -4.426 -10.147
  935   2HH2  ARG  72          2HH2      ARG  72  -2.361  -2.763 -10.636
  936    H    LEU  73           H        LEU  73  -6.448  -8.039  -4.501
  937    HA   LEU  73           HA       LEU  73  -5.113 -10.152  -6.058
  938   1HB   LEU  73          1HB       LEU  73  -6.941 -10.400  -3.676
  939   2HB   LEU  73          2HB       LEU  73  -6.593 -11.745  -4.744
  940    HG   LEU  73           HG       LEU  73  -4.082 -11.081  -4.153
  941   1HD1  LEU  73          1HD1      LEU  73  -4.738  -9.166  -2.764
  942   2HD1  LEU  73          2HD1      LEU  73  -3.863 -10.391  -1.846
  943   3HD1  LEU  73          3HD1      LEU  73  -5.614 -10.258  -1.693
  944   1HD2  LEU  73          1HD2      LEU  73  -5.952 -12.710  -2.447
  945   2HD2  LEU  73          2HD2      LEU  73  -4.194 -12.761  -2.336
  946   3HD2  LEU  73          3HD2      LEU  73  -4.997 -13.267  -3.821
  947    H    ARG  74           H        ARG  74  -6.844 -11.720  -6.978
  948    HA   ARG  74           HA       ARG  74  -8.853 -10.031  -8.282
  949   1HB   ARG  74          1HB       ARG  74  -7.553 -12.641  -9.028
  950   2HB   ARG  74          2HB       ARG  74  -9.033 -12.107  -9.812
  951   1HG   ARG  74          1HG       ARG  74  -7.323 -11.406 -11.236
  952   2HG   ARG  74          2HG       ARG  74  -7.782  -9.956 -10.349
  953   1HD   ARG  74          1HD       ARG  74  -5.881 -10.399  -8.788
  954   2HD   ARG  74          2HD       ARG  74  -5.386 -11.717  -9.847
  955    HE   ARG  74           HE       ARG  74  -5.653  -9.314 -11.325
  956   1HH1  ARG  74          1HH1      ARG  74  -3.540 -10.911  -9.030
  957   2HH1  ARG  74          2HH1      ARG  74  -2.118 -10.073  -9.567
  958   1HH2  ARG  74          1HH2      ARG  74  -3.776  -8.192 -12.016
  959   2HH2  ARG  74          2HH2      ARG  74  -2.246  -8.509 -11.238
  960    H    GLY  75           H        GLY  75 -11.006 -10.568  -8.347
  961   1HA   GLY  75          1HA       GLY  75 -12.769 -12.209  -7.926
  962   2HA   GLY  75          2HA       GLY  75 -11.843 -12.740  -6.529
  963    H    GLY  76           H        GLY  76 -14.354 -10.781  -7.594
  964   1HA   GLY  76          1HA       GLY  76 -15.780 -10.009  -5.695
  965   2HA   GLY  76          2HA       GLY  76 -14.315  -9.274  -5.054
  Start of MODEL    8
    1    H    GLY  63           H        GLY  63 -27.096  11.977   1.898
    2   1HA   GLY  63          1HA       GLY  63 -25.030  12.555  -0.143
    3   2HA   GLY  63          2HA       GLY  63 -24.754  11.922   1.473
    4    H    SER  64           H        SER  64 -23.681  10.481  -0.472
    5    HA   SER  64           HA       SER  64 -25.531   8.451  -1.391
    6   1HB   SER  64          1HB       SER  64 -22.524   8.457  -1.661
    7   2HB   SER  64          2HB       SER  64 -23.697   7.592  -2.655
    8    HG   SER  64           HG       SER  64 -22.720   9.750  -3.383
    9    H    GLN  65           H        GLN  65 -24.049   6.122  -1.215
   10    HA   GLN  65           HA       GLN  65 -24.361   5.532   1.618
   11   1HB   GLN  65          1HB       GLN  65 -23.994   3.797  -0.816
   12   2HB   GLN  65          2HB       GLN  65 -24.020   3.150   0.819
   13   1HG   GLN  65          1HG       GLN  65 -26.268   3.815   1.141
   14   2HG   GLN  65          2HG       GLN  65 -26.259   4.795  -0.326
   15   1HE2  GLN  65          1HE2      GLN  65 -26.392   1.570   0.971
   16   2HE2  GLN  65          2HE2      GLN  65 -26.910   0.794  -0.485
   17    H    TRP  66           H        TRP  66 -21.939   4.537  -0.819
   18    HA   TRP  66           HA       TRP  66 -19.981   4.354   1.345
   19   1HB   TRP  66          1HB       TRP  66 -19.824   3.331  -1.491
   20   2HB   TRP  66          2HB       TRP  66 -18.629   3.049  -0.228
   21    HD1  TRP  66           HD1      TRP  66 -20.096   1.964   2.150
   22    HE1  TRP  66           HE1      TRP  66 -21.533  -0.172   2.078
   23    HE3  TRP  66           HE3      TRP  66 -21.033   1.800  -2.872
   24    HZ2  TRP  66           HZ2      TRP  66 -22.877  -1.720   0.135
   25    HZ3  TRP  66           HZ3      TRP  66 -22.398  -0.038  -3.756
   26    HH2  TRP  66           HH2      TRP  66 -23.303  -1.764  -2.283
   27    H    GLN  67           H        GLN  67 -20.862   6.534  -1.043
   28    HA   GLN  67           HA       GLN  67 -18.411   7.431  -2.007
   29   1HB   GLN  67          1HB       GLN  67 -20.699   8.166  -2.798
   30   2HB   GLN  67          2HB       GLN  67 -20.722   9.274  -1.433
   31   1HG   GLN  67          1HG       GLN  67 -18.734  10.387  -2.270
   32   2HG   GLN  67          2HG       GLN  67 -18.644   9.245  -3.610
   33   1HE2  GLN  67          1HE2      GLN  67 -18.933  12.169  -3.569
   34   2HE2  GLN  67          2HE2      GLN  67 -20.361  12.503  -4.488
   35    HA   PRO  68           HA       PRO  68 -18.164  10.511   1.777
   36   1HB   PRO  68          1HB       PRO  68 -19.582   8.956   3.858
   37   2HB   PRO  68          2HB       PRO  68 -19.626  10.690   3.528
   38   1HG   PRO  68          1HG       PRO  68 -21.706   9.135   2.934
   39   2HG   PRO  68          2HG       PRO  68 -21.225  10.470   1.869
   40   1HD   PRO  68          1HD       PRO  68 -20.706   7.532   1.572
   41   2HD   PRO  68          2HD       PRO  68 -21.195   8.718   0.345
   42    H    GLN  69           H        GLN  69 -18.116   7.066   1.818
   43    HA   GLN  69           HA       GLN  69 -16.111   6.833   3.887
   44   1HB   GLN  69          1HB       GLN  69 -17.058   4.717   1.947
   45   2HB   GLN  69          2HB       GLN  69 -16.211   4.457   3.463
   46   1HG   GLN  69          1HG       GLN  69 -18.932   5.720   3.292
   47   2HG   GLN  69          2HG       GLN  69 -18.674   3.987   3.490
   48   1HE2  GLN  69          1HE2      GLN  69 -19.716   3.989   5.478
   49   2HE2  GLN  69          2HE2      GLN  69 -18.983   4.641   6.903
   50    H    LEU  70           H        LEU  70 -16.301   6.968   0.411
   51    HA   LEU  70           HA       LEU  70 -13.764   5.991  -0.272
   52   1HB   LEU  70          1HB       LEU  70 -15.430   8.110  -1.632
   53   2HB   LEU  70          2HB       LEU  70 -14.031   7.331  -2.344
   54    HG   LEU  70           HG       LEU  70 -16.560   5.892  -1.539
   55   1HD1  LEU  70          1HD1      LEU  70 -17.119   5.816  -3.863
   56   2HD1  LEU  70          2HD1      LEU  70 -15.605   6.603  -4.307
   57   3HD1  LEU  70          3HD1      LEU  70 -16.840   7.502  -3.427
   58   1HD2  LEU  70          1HD2      LEU  70 -14.762   4.363  -1.468
   59   2HD2  LEU  70          2HD2      LEU  70 -14.039   5.030  -2.930
   60   3HD2  LEU  70          3HD2      LEU  70 -15.542   4.117  -3.030
   61    H    GLN  71           H        GLN  71 -14.826   9.070   0.928
   62    HA   GLN  71           HA       GLN  71 -12.636  10.680   0.317
   63   1HB   GLN  71          1HB       GLN  71 -14.799  11.472   1.254
   64   2HB   GLN  71          2HB       GLN  71 -14.352  10.776   2.806
   65   1HG   GLN  71          1HG       GLN  71 -12.337  12.278   2.773
   66   2HG   GLN  71          2HG       GLN  71 -13.061  13.080   1.379
   67   1HE2  GLN  71          1HE2      GLN  71 -15.781  12.747   2.366
   68   2HE2  GLN  71          2HE2      GLN  71 -15.968  13.875   3.663
   69    H    GLN  72           H        GLN  72 -13.217   8.545   3.082
   70    HA   GLN  72           HA       GLN  72 -10.821   9.196   4.460
   71   1HB   GLN  72          1HB       GLN  72 -12.569   6.734   4.646
   72   2HB   GLN  72          2HB       GLN  72 -11.294   7.156   5.781
   73   1HG   GLN  72          1HG       GLN  72 -13.774   8.771   5.240
   74   2HG   GLN  72          2HG       GLN  72 -13.498   7.736   6.640
   75   1HE2  GLN  72          1HE2      GLN  72 -14.049  10.589   6.505
   76   2HE2  GLN  72          2HE2      GLN  72 -12.732  11.375   7.302
   77    H    LEU  73           H        LEU  73 -11.741   6.607   2.245
   78    HA   LEU  73           HA       LEU  73  -9.401   5.090   2.362
   79   1HB   LEU  73          1HB       LEU  73 -11.345   5.527   0.095
   80   2HB   LEU  73          2HB       LEU  73 -10.068   4.326   0.060
   81    HG   LEU  73           HG       LEU  73 -12.173   4.348   2.211
   82   1HD1  LEU  73          1HD1      LEU  73 -13.439   4.157   0.227
   83   2HD1  LEU  73          2HD1      LEU  73 -13.233   2.518   0.836
   84   3HD1  LEU  73          3HD1      LEU  73 -12.254   3.084  -0.516
   85   1HD2  LEU  73          1HD2      LEU  73 -11.544   1.995   2.415
   86   2HD2  LEU  73          2HD2      LEU  73 -10.156   3.054   2.661
   87   3HD2  LEU  73          3HD2      LEU  73 -10.353   2.199   1.131
   88    H    ARG  74           H        ARG  74 -10.303   7.659   0.085
   89    HA   ARG  74           HA       ARG  74  -7.893   7.663  -1.363
   90   1HB   ARG  74          1HB       ARG  74  -9.928   9.851  -0.930
   91   2HB   ARG  74          2HB       ARG  74  -8.611   9.944  -2.093
   92   1HG   ARG  74          1HG       ARG  74  -9.500   8.122  -3.351
   93   2HG   ARG  74          2HG       ARG  74 -10.706   7.791  -2.108
   94   1HD   ARG  74          1HD       ARG  74 -11.677  10.038  -2.527
   95   2HD   ARG  74          2HD       ARG  74 -10.539  10.235  -3.861
   96    HE   ARG  74           HE       ARG  74 -11.823   7.875  -4.376
   97   1HH1  ARG  74          1HH1      ARG  74 -12.827  11.186  -3.877
   98   2HH1  ARG  74          2HH1      ARG  74 -14.243  11.036  -4.867
   99   1HH2  ARG  74          1HH2      ARG  74 -13.667   7.663  -5.686
  100   2HH2  ARG  74          2HH2      ARG  74 -14.723   9.033  -5.899
  101    H    ASP  75           H        ASP  75  -8.845   9.235   1.611
  102    HA   ASP  75           HA       ASP  75  -6.642  11.033   1.733
  103   1HB   ASP  75          1HB       ASP  75  -8.783  11.315   3.004
  104   2HB   ASP  75          2HB       ASP  75  -8.287   9.982   4.042
  105    H    MET  76           H        MET  76  -7.263   7.802   2.974
  106    HA   MET  76           HA       MET  76  -4.898   7.558   4.522
  107   1HB   MET  76          1HB       MET  76  -6.769   5.518   3.313
  108   2HB   MET  76          2HB       MET  76  -5.380   5.065   4.295
  109   1HG   MET  76          1HG       MET  76  -6.277   6.055   6.218
  110   2HG   MET  76          2HG       MET  76  -7.472   6.961   5.294
  111   1HE   MET  76          1HE       MET  76  -6.474   3.534   6.866
  112   2HE   MET  76          2HE       MET  76  -6.383   3.163   5.145
  113   3HE   MET  76          3HE       MET  76  -7.640   2.429   6.142
  114    H    GLY  77           H        GLY  77  -5.460   7.507   1.169
  115   1HA   GLY  77          1HA       GLY  77  -3.556   7.673  -0.297
  116   2HA   GLY  77          2HA       GLY  77  -2.717   6.525   0.735
  117    H    ILE  78           H        ILE  78  -5.965   5.701   0.228
  118    HA   ILE  78           HA       ILE  78  -5.157   3.442  -1.372
  119    HB   ILE  78           HB       ILE  78  -7.999   4.177  -0.684
  120   1HG1  ILE  78          1HG1      ILE  78  -6.687   4.161   1.398
  121   2HG1  ILE  78          2HG1      ILE  78  -7.778   2.785   1.331
  122   1HG2  ILE  78          1HG2      ILE  78  -7.621   2.426  -2.373
  123   2HG2  ILE  78          2HG2      ILE  78  -8.412   1.808  -0.923
  124   3HG2  ILE  78          3HG2      ILE  78  -6.694   1.506  -1.188
  125   1HD1  ILE  78          1HD1      ILE  78  -5.695   2.056   2.209
  126   2HD1  ILE  78          2HD1      ILE  78  -4.810   2.784   0.868
  127   3HD1  ILE  78          3HD1      ILE  78  -5.857   1.394   0.582
  128    H    GLN  79           H        GLN  79  -4.458   4.365  -3.257
  129    HA   GLN  79           HA       GLN  79  -5.717   6.248  -4.840
  130   1HB   GLN  79          1HB       GLN  79  -3.406   5.451  -5.159
  131   2HB   GLN  79          2HB       GLN  79  -4.023   3.911  -5.736
  132   1HG   GLN  79          1HG       GLN  79  -4.907   4.895  -7.696
  133   2HG   GLN  79          2HG       GLN  79  -4.650   6.525  -7.076
  134   1HE2  GLN  79          1HE2      GLN  79  -2.594   7.409  -7.113
  135   2HE2  GLN  79          2HE2      GLN  79  -1.312   6.720  -8.045
  136    H    ASP  80           H        ASP  80  -6.046   2.714  -4.942
  137    HA   ASP  80           HA       ASP  80  -8.038   2.855  -7.023
  138   1HB   ASP  80          1HB       ASP  80  -7.485   0.409  -5.364
  139   2HB   ASP  80          2HB       ASP  80  -8.016   0.508  -7.041
  140    H    ASP  81           H        ASP  81  -9.416   4.314  -5.811
  141    HA   ASP  81           HA       ASP  81 -10.744   3.469  -3.440
  142   1HB   ASP  81          1HB       ASP  81 -12.164   5.406  -3.740
  143   2HB   ASP  81          2HB       ASP  81 -10.503   5.856  -4.095
  144    H    GLU  82           H        GLU  82 -11.386   3.125  -6.862
  145    HA   GLU  82           HA       GLU  82 -14.084   2.254  -6.574
  146   1HB   GLU  82          1HB       GLU  82 -12.090   1.911  -8.819
  147   2HB   GLU  82          2HB       GLU  82 -13.780   1.434  -8.926
  148   1HG   GLU  82          1HG       GLU  82 -14.503   3.694  -8.663
  149   2HG   GLU  82          2HG       GLU  82 -12.857   4.231  -8.328
  150    H    LEU  83           H        LEU  83 -10.952   0.683  -6.599
  151    HA   LEU  83           HA       LEU  83 -11.895  -1.992  -6.729
  152   1HB   LEU  83          1HB       LEU  83  -9.471  -0.972  -6.993
  153   2HB   LEU  83          2HB       LEU  83  -9.385  -1.238  -5.266
  154    HG   LEU  83           HG       LEU  83  -8.384  -3.030  -6.771
  155   1HD1  LEU  83          1HD1      LEU  83  -9.158  -4.861  -5.347
  156   2HD1  LEU  83          2HD1      LEU  83 -10.481  -3.850  -4.767
  157   3HD1  LEU  83          3HD1      LEU  83  -8.812  -3.408  -4.407
  158   1HD2  LEU  83          1HD2      LEU  83 -10.321  -3.011  -8.365
  159   2HD2  LEU  83          2HD2      LEU  83 -11.256  -3.850  -7.129
  160   3HD2  LEU  83          3HD2      LEU  83  -9.817  -4.606  -7.811
  161    H    SER  84           H        SER  84 -11.320   0.323  -4.196
  162    HA   SER  84           HA       SER  84 -11.770  -1.437  -2.008
  163   1HB   SER  84          1HB       SER  84 -12.014   1.577  -2.078
  164   2HB   SER  84          2HB       SER  84 -11.775   0.572  -0.648
  165    HG   SER  84           HG       SER  84  -9.969   0.967  -2.804
  166    H    LEU  85           H        LEU  85 -13.798   0.415  -4.128
  167    HA   LEU  85           HA       LEU  85 -16.124   0.603  -2.571
  168   1HB   LEU  85          1HB       LEU  85 -15.512   1.590  -4.930
  169   2HB   LEU  85          2HB       LEU  85 -16.244   0.117  -5.530
  170    HG   LEU  85           HG       LEU  85 -17.684   2.251  -5.397
  171   1HD1  LEU  85          1HD1      LEU  85 -18.668  -0.336  -4.202
  172   2HD1  LEU  85          2HD1      LEU  85 -18.610   0.075  -5.916
  173   3HD1  LEU  85          3HD1      LEU  85 -19.691   0.955  -4.836
  174   1HD2  LEU  85          1HD2      LEU  85 -16.949   2.687  -3.007
  175   2HD2  LEU  85          2HD2      LEU  85 -18.047   1.389  -2.542
  176   3HD2  LEU  85          3HD2      LEU  85 -18.672   2.827  -3.347
  177    H    ARG  86           H        ARG  86 -14.787  -1.964  -4.541
  178    HA   ARG  86           HA       ARG  86 -17.015  -3.708  -4.456
  179   1HB   ARG  86          1HB       ARG  86 -14.086  -4.438  -4.697
  180   2HB   ARG  86          2HB       ARG  86 -15.452  -5.451  -5.147
  181   1HG   ARG  86          1HG       ARG  86 -16.058  -3.885  -6.907
  182   2HG   ARG  86          2HG       ARG  86 -14.729  -2.825  -6.433
  183   1HD   ARG  86          1HD       ARG  86 -14.059  -4.116  -8.346
  184   2HD   ARG  86          2HD       ARG  86 -13.141  -4.650  -6.942
  185    HE   ARG  86           HE       ARG  86 -15.296  -6.337  -7.051
  186   1HH1  ARG  86          1HH1      ARG  86 -12.716  -5.458  -9.257
  187   2HH1  ARG  86          2HH1      ARG  86 -12.675  -7.012 -10.028
  188   1HH2  ARG  86          1HH2      ARG  86 -15.241  -8.384  -8.061
  189   2HH2  ARG  86          2HH2      ARG  86 -14.124  -8.667  -9.367
  190    H    ALA  87           H        ALA  87 -14.174  -3.278  -2.407
  191    HA   ALA  87           HA       ALA  87 -14.762  -5.424  -0.631
  192   1HB   ALA  87          1HB       ALA  87 -12.501  -4.554  -0.855
  193   2HB   ALA  87          2HB       ALA  87 -13.052  -4.401   0.812
  194   3HB   ALA  87          3HB       ALA  87 -13.025  -2.987  -0.242
  195    H    LEU  88           H        LEU  88 -15.616  -2.036  -0.802
  196    HA   LEU  88           HA       LEU  88 -16.697  -1.766   1.799
  197   1HB   LEU  88          1HB       LEU  88 -16.685  -0.238  -0.702
  198   2HB   LEU  88          2HB       LEU  88 -18.168  -0.049   0.210
  199    HG   LEU  88           HG       LEU  88 -16.490   1.714   0.677
  200   1HD1  LEU  88          1HD1      LEU  88 -17.146  -0.063   3.020
  201   2HD1  LEU  88          2HD1      LEU  88 -18.188   1.180   2.326
  202   3HD1  LEU  88          3HD1      LEU  88 -16.674   1.635   3.103
  203   1HD2  LEU  88          1HD2      LEU  88 -14.460   0.422   0.449
  204   2HD2  LEU  88          2HD2      LEU  88 -14.898  -0.566   1.841
  205   3HD2  LEU  88          3HD2      LEU  88 -14.534   1.147   2.055
  206    H    GLN  89           H        GLN  89 -17.996  -2.792  -1.295
  207    HA   GLN  89           HA       GLN  89 -20.702  -3.036  -0.519
  208   1HB   GLN  89          1HB       GLN  89 -20.541  -3.078  -2.807
  209   2HB   GLN  89          2HB       GLN  89 -19.007  -3.932  -2.789
  210   1HG   GLN  89          1HG       GLN  89 -21.116  -5.631  -1.824
  211   2HG   GLN  89          2HG       GLN  89 -21.524  -4.965  -3.402
  212   1HE2  GLN  89          1HE2      GLN  89 -18.889  -4.778  -4.420
  213   2HE2  GLN  89          2HE2      GLN  89 -18.308  -6.385  -4.693
  214    H    ALA  90           H        ALA  90 -17.954  -5.232  -0.489
  215    HA   ALA  90           HA       ALA  90 -19.304  -7.580   0.262
  216   1HB   ALA  90          1HB       ALA  90 -17.129  -8.439   0.866
  217   2HB   ALA  90          2HB       ALA  90 -16.460  -6.808   0.898
  218   3HB   ALA  90          3HB       ALA  90 -17.002  -7.510  -0.628
  219    H    THR  91           H        THR  91 -17.468  -5.276   2.256
  220    HA   THR  91           HA       THR  91 -18.180  -6.497   4.716
  221    HB   THR  91           HB       THR  91 -17.379  -4.302   5.709
  222    HG1  THR  91           HG1      THR  91 -16.421  -3.718   3.108
  223   1HG2  THR  91          1HG2      THR  91 -15.572  -5.774   3.791
  224   2HG2  THR  91          2HG2      THR  91 -15.892  -6.207   5.472
  225   3HG2  THR  91          3HG2      THR  91 -15.028  -4.716   5.092
  226    H    GLY  92           H        GLY  92 -19.649  -4.056   2.721
  227   1HA   GLY  92          1HA       GLY  92 -22.038  -3.712   2.904
  228   2HA   GLY  92          2HA       GLY  92 -21.881  -3.904   4.646
  229    H    GLY  93           H        GLY  93 -19.528  -2.282   4.886
  230   1HA   GLY  93          1HA       GLY  93 -19.580   0.224   3.804
  231   2HA   GLY  93          2HA       GLY  93 -20.794   0.280   5.074
  232    H    ASP  94           H        ASP  94 -17.606  -1.305   4.868
  233    HA   ASP  94           HA       ASP  94 -16.797   0.281   7.217
  234   1HB   ASP  94          1HB       ASP  94 -17.357  -2.245   7.589
  235   2HB   ASP  94          2HB       ASP  94 -15.804  -2.523   6.809
  236    H    ILE  95           H        ILE  95 -14.623   0.907   7.287
  237    HA   ILE  95           HA       ILE  95 -13.342   0.971   4.676
  238    HB   ILE  95           HB       ILE  95 -12.666   2.394   7.251
  239   1HG1  ILE  95          1HG1      ILE  95 -14.730   3.183   6.206
  240   2HG1  ILE  95          2HG1      ILE  95 -13.464   4.396   6.057
  241   1HG2  ILE  95          1HG2      ILE  95 -10.844   1.825   5.355
  242   2HG2  ILE  95          2HG2      ILE  95 -10.810   3.294   6.330
  243   3HG2  ILE  95          3HG2      ILE  95 -11.500   3.329   4.708
  244   1HD1  ILE  95          1HD1      ILE  95 -13.090   3.200   3.735
  245   2HD1  ILE  95          2HD1      ILE  95 -14.302   4.460   3.950
  246   3HD1  ILE  95          3HD1      ILE  95 -14.782   2.761   3.969
  247    H    GLN  96           H        GLN  96 -12.189   0.408   8.003
  248    HA   GLN  96           HA       GLN  96  -9.709  -0.648   7.275
  249   1HB   GLN  96          1HB       GLN  96 -10.641   0.175   9.572
  250   2HB   GLN  96          2HB       GLN  96 -11.074  -1.514   9.792
  251   1HG   GLN  96          1HG       GLN  96  -8.963  -1.155  10.819
  252   2HG   GLN  96          2HG       GLN  96  -8.701  -2.113   9.362
  253   1HE2  GLN  96          1HE2      GLN  96  -8.319   1.015  10.842
  254   2HE2  GLN  96          2HE2      GLN  96  -7.145   1.629   9.727
  255    H    ALA  97           H        ALA  97 -12.763  -2.322   8.034
  256    HA   ALA  97           HA       ALA  97 -11.723  -4.934   7.864
  257   1HB   ALA  97          1HB       ALA  97 -13.926  -4.324   8.845
  258   2HB   ALA  97          2HB       ALA  97 -13.991  -5.687   7.730
  259   3HB   ALA  97          3HB       ALA  97 -14.537  -4.094   7.209
  260    H    ALA  98           H        ALA  98 -13.009  -2.740   5.440
  261    HA   ALA  98           HA       ALA  98 -13.229  -4.543   3.300
  262   1HB   ALA  98          1HB       ALA  98 -14.252  -2.347   3.234
  263   2HB   ALA  98          2HB       ALA  98 -13.148  -2.539   1.870
  264   3HB   ALA  98          3HB       ALA  98 -12.664  -1.583   3.269
  265    H    LEU  99           H        LEU  99 -10.555  -2.476   4.346
  266    HA   LEU  99           HA       LEU  99  -8.792  -3.081   2.246
  267   1HB   LEU  99          1HB       LEU  99  -8.612  -1.827   4.894
  268   2HB   LEU  99          2HB       LEU  99  -7.126  -2.575   4.345
  269    HG   LEU  99           HG       LEU  99  -7.226  -0.184   3.785
  270   1HD1  LEU  99          1HD1      LEU  99  -6.546  -0.375   1.486
  271   2HD1  LEU  99          2HD1      LEU  99  -7.372  -1.922   1.327
  272   3HD1  LEU  99          3HD1      LEU  99  -5.961  -1.780   2.376
  273   1HD2  LEU  99          1HD2      LEU  99  -8.780   0.594   2.056
  274   2HD2  LEU  99          2HD2      LEU  99  -9.619   0.068   3.515
  275   3HD2  LEU  99          3HD2      LEU  99  -9.590  -0.973   2.093
  276    H    GLU 100           H        GLU 100  -9.467  -4.724   5.269
  277    HA   GLU 100           HA       GLU 100  -7.273  -6.486   5.257
  278   1HB   GLU 100          1HB       GLU 100  -9.810  -6.237   6.689
  279   2HB   GLU 100          2HB       GLU 100  -9.299  -7.906   6.470
  280   1HG   GLU 100          1HG       GLU 100  -7.512  -5.777   7.606
  281   2HG   GLU 100          2HG       GLU 100  -8.553  -6.802   8.594
  282    H    LEU 101           H        LEU 101 -10.479  -6.693   3.785
  283    HA   LEU 101           HA       LEU 101 -10.216  -9.371   2.878
  284   1HB   LEU 101          1HB       LEU 101 -12.038  -7.099   2.235
  285   2HB   LEU 101          2HB       LEU 101 -11.991  -8.459   1.135
  286    HG   LEU 101           HG       LEU 101 -13.695  -9.171   2.442
  287   1HD1  LEU 101          1HD1      LEU 101 -11.476  -9.954   4.320
  288   2HD1  LEU 101          2HD1      LEU 101 -11.810 -10.764   2.789
  289   3HD1  LEU 101          3HD1      LEU 101 -13.019 -10.771   4.072
  290   1HD2  LEU 101          1HD2      LEU 101 -14.083  -8.541   4.740
  291   2HD2  LEU 101          2HD2      LEU 101 -13.744  -7.111   3.766
  292   3HD2  LEU 101          3HD2      LEU 101 -12.497  -7.775   4.824
  293    H    ILE 102           H        ILE 102  -9.424  -6.243   1.479
  294    HA   ILE 102           HA       ILE 102  -8.793  -7.172  -1.121
  295    HB   ILE 102           HB       ILE 102  -7.664  -4.750   0.305
  296   1HG1  ILE 102          1HG1      ILE 102 -10.050  -4.939  -1.547
  297   2HG1  ILE 102          2HG1      ILE 102 -10.154  -4.800   0.205
  298   1HG2  ILE 102          1HG2      ILE 102  -7.889  -5.322  -2.649
  299   2HG2  ILE 102          2HG2      ILE 102  -6.407  -5.450  -1.701
  300   3HG2  ILE 102          3HG2      ILE 102  -7.193  -3.884  -1.905
  301   1HD1  ILE 102          1HD1      ILE 102 -10.530  -2.653  -0.773
  302   2HD1  ILE 102          2HD1      ILE 102  -9.042  -2.765  -1.712
  303   3HD1  ILE 102          3HD1      ILE 102  -8.969  -2.630   0.045
  304    H    PHE 103           H        PHE 103  -6.882  -6.670   1.806
  305    HA   PHE 103           HA       PHE 103  -4.372  -7.337   0.706
  306   1HB   PHE 103          1HB       PHE 103  -4.853  -6.158   2.913
  307   2HB   PHE 103          2HB       PHE 103  -5.199  -7.749   3.581
  308    HD1  PHE 103           HD1      PHE 103  -2.598  -5.536   2.275
  309    HD2  PHE 103           HD2      PHE 103  -3.430  -9.329   4.010
  310    HE1  PHE 103           HE1      PHE 103  -0.200  -5.855   2.723
  311    HE2  PHE 103           HE2      PHE 103  -1.035  -9.656   4.461
  312    HZ   PHE 103           HZ       PHE 103   0.583  -7.916   3.817
  313    H    ALA 104           H        ALA 104  -7.001  -9.261   1.956
  314    HA   ALA 104           HA       ALA 104  -5.480 -11.688   2.141
  315   1HB   ALA 104          1HB       ALA 104  -7.647 -12.751   2.572
  316   2HB   ALA 104          2HB       ALA 104  -8.460 -11.236   2.179
  317   3HB   ALA 104          3HB       ALA 104  -7.401 -11.330   3.585
  318    H    GLY 105           H        GLY 105  -7.531 -10.143  -0.243
  319   1HA   GLY 105          1HA       GLY 105  -7.370 -10.554  -2.559
  320   2HA   GLY 105          2HA       GLY 105  -6.635 -12.114  -2.214
  321    H    GLY 106           H        GLY 106  -9.558 -10.910  -0.705
  322   1HA   GLY 106          1HA       GLY 106 -11.362 -12.248  -2.465
  323   2HA   GLY 106          2HA       GLY 106 -11.058 -13.195  -1.014
  324    H    ALA 107           H        ALA 107 -13.216 -11.203  -2.296
  325    HA   ALA 107           HA       ALA 107 -13.931 -10.072   0.323
  326   1HB   ALA 107          1HB       ALA 107 -14.724  -8.081  -0.673
  327   2HB   ALA 107          2HB       ALA 107 -14.584  -8.753  -2.295
  328   3HB   ALA 107          3HB       ALA 107 -13.131  -8.377  -1.371
  329    HA   PRO 108           HA       PRO 108 -17.430 -12.800  -0.299
  330   1HB   PRO 108          1HB       PRO 108 -18.440 -11.245   2.018
  331   2HB   PRO 108          2HB       PRO 108 -18.279 -12.990   1.817
  332   1HG   PRO 108          1HG       PRO 108 -16.602 -11.643   3.377
  333   2HG   PRO 108          2HG       PRO 108 -16.027 -12.978   2.359
  334   1HD   PRO 108          1HD       PRO 108 -15.776 -10.027   1.934
  335   2HD   PRO 108          2HD       PRO 108 -14.596 -11.318   1.627
  336   1H    MET   1          1H        MET   1  19.578   1.912   3.199
  337   2H    MET   1          2H        MET   1  20.795   1.428   4.267
  338   3H    MET   1          3H        MET   1  20.847   2.967   3.575
  339    HA   MET   1           HA       MET   1  20.102   2.896   5.929
  340   1HB   MET   1          1HB       MET   1  18.297   4.501   5.612
  341   2HB   MET   1          2HB       MET   1  19.598   4.805   4.472
  342   1HG   MET   1          1HG       MET   1  18.312   3.700   2.710
  343   2HG   MET   1          2HG       MET   1  17.008   3.395   3.855
  344   1HE   MET   1          1HE       MET   1  15.247   4.520   2.305
  345   2HE   MET   1          2HE       MET   1  16.464   4.882   1.078
  346   3HE   MET   1          3HE       MET   1  15.382   6.152   1.651
  347    H    GLN   2           H        GLN   2  18.200   2.641   7.293
  348    HA   GLN   2           HA       GLN   2  16.866   0.115   6.700
  349   1HB   GLN   2          1HB       GLN   2  18.038   0.327   8.844
  350   2HB   GLN   2          2HB       GLN   2  17.047   1.714   9.263
  351   1HG   GLN   2          1HG       GLN   2  15.066   0.315   9.298
  352   2HG   GLN   2          2HG       GLN   2  16.027  -1.082   8.818
  353   1HE2  GLN   2          1HE2      GLN   2  15.330   1.171  11.375
  354   2HE2  GLN   2          2HE2      GLN   2  16.039   0.252  12.654
  355    H    ILE   3           H        ILE   3  14.782  -0.022   6.202
  356    HA   ILE   3           HA       ILE   3  13.066   2.323   6.681
  357    HB   ILE   3           HB       ILE   3  11.805   1.731   4.628
  358   1HG1  ILE   3          1HG1      ILE   3  14.128  -0.023   3.851
  359   2HG1  ILE   3          2HG1      ILE   3  12.718  -0.684   4.672
  360   1HG2  ILE   3          1HG2      ILE   3  13.515   2.550   3.010
  361   2HG2  ILE   3          2HG2      ILE   3  14.729   2.370   4.277
  362   3HG2  ILE   3          3HG2      ILE   3  13.402   3.510   4.487
  363   1HD1  ILE   3          1HD1      ILE   3  11.293  -0.043   2.868
  364   2HD1  ILE   3          2HD1      ILE   3  12.674  -0.920   2.208
  365   3HD1  ILE   3          3HD1      ILE   3  12.604   0.837   2.086
  366    H    PHE   4           H        PHE   4  10.776   1.809   6.913
  367    HA   PHE   4           HA       PHE   4  10.393  -0.915   7.976
  368   1HB   PHE   4          1HB       PHE   4   9.130   1.673   8.910
  369   2HB   PHE   4          2HB       PHE   4   8.723   0.075   9.523
  370    HD1  PHE   4           HD1      PHE   4  11.071   2.825   9.649
  371    HD2  PHE   4           HD2      PHE   4  10.381  -1.204  10.836
  372    HE1  PHE   4           HE1      PHE   4  12.864   3.015  11.324
  373    HE2  PHE   4           HE2      PHE   4  12.171  -1.019  12.517
  374    HZ   PHE   4           HZ       PHE   4  13.414   1.091  12.758
  375    H    VAL   5           H        VAL   5   9.218  -2.030   6.543
  376    HA   VAL   5           HA       VAL   5   7.186  -0.639   4.967
  377    HB   VAL   5           HB       VAL   5   8.025  -3.536   4.761
  378   1HG1  VAL   5          1HG1      VAL   5   7.053  -3.334   2.480
  379   2HG1  VAL   5          2HG1      VAL   5   6.463  -1.731   2.921
  380   3HG1  VAL   5          3HG1      VAL   5   5.872  -3.154   3.779
  381   1HG2  VAL   5          1HG2      VAL   5   9.421  -2.872   2.875
  382   2HG2  VAL   5          2HG2      VAL   5   9.939  -2.062   4.353
  383   3HG2  VAL   5          3HG2      VAL   5   9.002  -1.180   3.147
  384    H    LYS   6           H        LYS   6   5.376  -0.361   6.100
  385    HA   LYS   6           HA       LYS   6   4.356  -2.634   7.659
  386   1HB   LYS   6          1HB       LYS   6   4.805  -0.620   8.995
  387   2HB   LYS   6          2HB       LYS   6   3.723   0.306   7.963
  388   1HG   LYS   6          1HG       LYS   6   1.858  -1.136   8.658
  389   2HG   LYS   6          2HG       LYS   6   2.955  -2.003   9.735
  390   1HD   LYS   6          2HD       LYS   6   3.353   0.022  11.007
  391   2HD   LYS   6          1HD       LYS   6   2.344   0.949   9.892
  392   1HE   LYS   6          2HE       LYS   6   0.391  -0.227  10.556
  393   2HE   LYS   6          1HE       LYS   6   1.334  -1.417  11.449
  394   1HZ   LYS   6          1HZ       LYS   6   0.436   0.031  13.038
  395   2HZ   LYS   6          2HZ       LYS   6   0.837   1.414  12.152
  396   3HZ   LYS   6          3HZ       LYS   6   2.052   0.502  12.891
  397    H    THR   7           H        THR   7   2.466  -3.494   7.201
  398    HA   THR   7           HA       THR   7   1.011  -2.507   4.871
  399    HB   THR   7           HB       THR   7  -0.218  -4.676   5.054
  400    HG1  THR   7           HG1      THR   7   1.706  -5.277   7.072
  401   1HG2  THR   7          1HG2      THR   7   1.688  -6.114   4.424
  402   2HG2  THR   7          2HG2      THR   7   2.795  -4.870   5.005
  403   3HG2  THR   7          3HG2      THR   7   1.744  -4.542   3.627
  404    H    LEU   8           H        LEU   8  -1.509  -2.817   5.115
  405    HA   LEU   8           HA       LEU   8  -2.278  -1.160   7.343
  406   1HB   LEU   8          1HB       LEU   8  -3.510  -2.039   4.823
  407   2HB   LEU   8          2HB       LEU   8  -4.634  -1.815   6.152
  408    HG   LEU   8           HG       LEU   8  -2.654   0.327   5.426
  409   1HD1  LEU   8          1HD1      LEU   8  -5.397  -0.073   4.255
  410   2HD1  LEU   8          2HD1      LEU   8  -3.867  -0.172   3.387
  411   3HD1  LEU   8          3HD1      LEU   8  -4.402   1.368   4.062
  412   1HD2  LEU   8          1HD2      LEU   8  -5.347   0.352   6.791
  413   2HD2  LEU   8          2HD2      LEU   8  -4.342   1.766   6.473
  414   3HD2  LEU   8          3HD2      LEU   8  -3.776   0.515   7.578
  415    H    THR   9           H        THR   9  -1.893  -4.424   6.939
  416    HA   THR   9           HA       THR   9  -4.049  -5.255   8.677
  417    HB   THR   9           HB       THR   9  -1.709  -6.860   7.607
  418    HG1  THR   9           HG1      THR   9  -4.360  -6.999   6.613
  419   1HG2  THR   9          1HG2      THR   9  -4.371  -7.897   8.562
  420   2HG2  THR   9          2HG2      THR   9  -2.986  -7.725   9.638
  421   3HG2  THR   9          3HG2      THR   9  -2.889  -8.802   8.248
  422    H    GLY  10           H        GLY  10  -0.685  -4.428   8.842
  423   1HA   GLY  10          1HA       GLY  10  -0.066  -3.643  11.156
  424   2HA   GLY  10          2HA       GLY  10  -0.601  -5.235  11.681
  425    H    LYS  11           H        LYS  11   0.509  -6.357   9.118
  426    HA   LYS  11           HA       LYS  11   2.936  -7.309  10.077
  427   1HB   LYS  11          1HB       LYS  11   1.753  -8.482   8.325
  428   2HB   LYS  11          2HB       LYS  11   1.919  -7.115   7.238
  429   1HG   LYS  11          1HG       LYS  11   4.512  -7.617   7.798
  430   2HG   LYS  11          2HG       LYS  11   3.828  -9.238   7.907
  431   1HD   LYS  11          2HD       LYS  11   3.318  -7.414   5.567
  432   2HD   LYS  11          1HD       LYS  11   4.685  -8.528   5.622
  433   1HE   LYS  11          2HE       LYS  11   1.833  -9.409   6.006
  434   2HE   LYS  11          1HE       LYS  11   2.613  -9.351   4.426
  435   1HZ   LYS  11          1HZ       LYS  11   3.610 -10.910   6.741
  436   2HZ   LYS  11          2HZ       LYS  11   4.249 -10.921   5.169
  437   3HZ   LYS  11          3HZ       LYS  11   2.704 -11.553   5.467
  438    H    THR  12           H        THR  12   4.802  -6.347  10.365
  439    HA   THR  12           HA       THR  12   5.571  -4.126   8.585
  440    HB   THR  12           HB       THR  12   6.460  -4.377  11.460
  441    HG1  THR  12           HG1      THR  12   4.037  -4.077  10.964
  442   1HG2  THR  12          1HG2      THR  12   6.916  -1.971  11.211
  443   2HG2  THR  12          2HG2      THR  12   6.375  -2.049   9.535
  444   3HG2  THR  12          3HG2      THR  12   7.818  -2.929  10.039
  445    H    ILE  13           H        ILE  13   7.242  -4.742   7.346
  446    HA   ILE  13           HA       ILE  13   9.118  -6.719   8.475
  447    HB   ILE  13           HB       ILE  13   9.638  -7.416   6.180
  448   1HG1  ILE  13          1HG1      ILE  13   7.341  -5.630   5.341
  449   2HG1  ILE  13          2HG1      ILE  13   9.040  -5.229   5.113
  450   1HG2  ILE  13          1HG2      ILE  13   6.707  -7.514   6.881
  451   2HG2  ILE  13          2HG2      ILE  13   7.957  -8.632   7.427
  452   3HG2  ILE  13          3HG2      ILE  13   7.514  -8.570   5.721
  453   1HD1  ILE  13          1HD1      ILE  13   8.109  -6.083   3.070
  454   2HD1  ILE  13          2HD1      ILE  13   7.568  -7.547   3.888
  455   3HD1  ILE  13          3HD1      ILE  13   9.292  -7.226   3.702
  456    H    THR  14           H        THR  14  11.328  -6.552   7.851
  457    HA   THR  14           HA       THR  14  12.178  -3.774   7.542
  458    HB   THR  14           HB       THR  14  14.463  -5.096   8.111
  459    HG1  THR  14           HG1      THR  14  13.681  -6.607   9.867
  460   1HG2  THR  14          1HG2      THR  14  14.140  -4.420  10.428
  461   2HG2  THR  14          2HG2      THR  14  12.404  -4.268  10.160
  462   3HG2  THR  14          3HG2      THR  14  13.522  -3.179   9.339
  463    H    LEU  15           H        LEU  15  13.804  -3.204   6.043
  464    HA   LEU  15           HA       LEU  15  14.687  -5.172   4.111
  465   1HB   LEU  15          1HB       LEU  15  12.370  -3.994   3.511
  466   2HB   LEU  15          2HB       LEU  15  13.451  -2.738   2.937
  467    HG   LEU  15           HG       LEU  15  14.595  -4.516   1.544
  468   1HD1  LEU  15          1HD1      LEU  15  12.167  -6.074   2.407
  469   2HD1  LEU  15          2HD1      LEU  15  13.861  -6.506   2.637
  470   3HD1  LEU  15          3HD1      LEU  15  13.166  -6.492   1.016
  471   1HD2  LEU  15          1HD2      LEU  15  13.133  -2.898   0.538
  472   2HD2  LEU  15          2HD2      LEU  15  11.712  -3.822   1.021
  473   3HD2  LEU  15          3HD2      LEU  15  12.821  -4.476  -0.184
  474    H    GLU  16           H        GLU  16  16.727  -4.740   3.535
  475    HA   GLU  16           HA       GLU  16  17.854  -2.169   4.320
  476   1HB   GLU  16          1HB       GLU  16  19.179  -4.708   3.350
  477   2HB   GLU  16          2HB       GLU  16  20.042  -3.248   3.817
  478   1HG   GLU  16          1HG       GLU  16  18.936  -3.466   6.071
  479   2HG   GLU  16          2HG       GLU  16  18.412  -5.070   5.559
  480    H    VAL  17           H        VAL  17  17.440  -0.658   2.848
  481    HA   VAL  17           HA       VAL  17  18.323  -1.158   0.085
  482    HB   VAL  17           HB       VAL  17  16.487   0.264  -0.756
  483   1HG1  VAL  17          1HG1      VAL  17  14.643  -1.353  -0.414
  484   2HG1  VAL  17          2HG1      VAL  17  15.615  -2.147   0.826
  485   3HG1  VAL  17          3HG1      VAL  17  16.174  -2.116  -0.846
  486   1HG2  VAL  17          1HG2      VAL  17  15.409   0.114   2.057
  487   2HG2  VAL  17          2HG2      VAL  17  14.602   0.838   0.666
  488   3HG2  VAL  17          3HG2      VAL  17  16.088   1.551   1.295
  489    H    GLU  18           H        GLU  18  18.875   0.836  -1.083
  490    HA   GLU  18           HA       GLU  18  19.837   2.922   0.766
  491   1HB   GLU  18          1HB       GLU  18  20.934   2.118  -1.934
  492   2HB   GLU  18          2HB       GLU  18  21.581   3.387  -0.909
  493   1HG   GLU  18          1HG       GLU  18  21.534   0.440  -0.329
  494   2HG   GLU  18          2HG       GLU  18  22.945   1.431  -0.688
  495    HA   PRO  19           HA       PRO  19  17.361   5.997  -1.223
  496   1HB   PRO  19          1HB       PRO  19  19.770   7.644  -1.743
  497   2HB   PRO  19          2HB       PRO  19  18.311   8.039  -0.830
  498   1HG   PRO  19          1HG       PRO  19  20.614   7.532   0.423
  499   2HG   PRO  19          2HG       PRO  19  19.064   6.984   1.093
  500   1HD   PRO  19          1HD       PRO  19  21.159   5.429  -0.374
  501   2HD   PRO  19          2HD       PRO  19  20.176   4.956   1.028
  502    H    SER  20           H        SER  20  20.167   4.806  -2.861
  503    HA   SER  20           HA       SER  20  19.490   5.924  -5.433
  504   1HB   SER  20          1HB       SER  20  21.393   3.785  -5.594
  505   2HB   SER  20          2HB       SER  20  21.663   5.516  -5.810
  506    HG   SER  20           HG       SER  20  22.435   5.644  -3.854
  507    H    ASP  21           H        ASP  21  18.212   3.446  -3.676
  508    HA   ASP  21           HA       ASP  21  17.954   1.505  -5.793
  509   1HB   ASP  21          1HB       ASP  21  17.115   1.681  -2.945
  510   2HB   ASP  21          2HB       ASP  21  16.188   0.616  -3.997
  511    H    THR  22           H        THR  22  16.286   1.185  -7.111
  512    HA   THR  22           HA       THR  22  14.281   3.242  -7.321
  513    HB   THR  22           HB       THR  22  13.546   1.420  -9.179
  514    HG1  THR  22           HG1      THR  22  15.378   0.355  -9.938
  515   1HG2  THR  22          1HG2      THR  22  14.901   2.671 -10.783
  516   2HG2  THR  22          2HG2      THR  22  15.869   3.329  -9.467
  517   3HG2  THR  22          3HG2      THR  22  14.165   3.761  -9.607
  518    H    ILE  23           H        ILE  23  11.999   2.813  -7.313
  519    HA   ILE  23           HA       ILE  23  11.107   1.290  -5.142
  520    HB   ILE  23           HB       ILE  23   9.494   2.209  -7.531
  521   1HG1  ILE  23          1HG1      ILE  23  10.661   4.064  -6.453
  522   2HG1  ILE  23          2HG1      ILE  23   8.933   4.157  -6.126
  523   1HG2  ILE  23          1HG2      ILE  23   8.594   1.418  -4.763
  524   2HG2  ILE  23          2HG2      ILE  23   8.302   0.525  -6.254
  525   3HG2  ILE  23          3HG2      ILE  23   7.565   2.109  -6.016
  526   1HD1  ILE  23          1HD1      ILE  23  10.120   4.702  -4.132
  527   2HD1  ILE  23          2HD1      ILE  23  11.099   3.240  -4.250
  528   3HD1  ILE  23          3HD1      ILE  23   9.372   3.121  -3.906
  529    H    GLU  24           H        GLU  24  11.485   0.475  -8.510
  530    HA   GLU  24           HA       GLU  24  10.008  -1.906  -8.589
  531   1HB   GLU  24          1HB       GLU  24  10.834  -0.768 -10.594
  532   2HB   GLU  24          2HB       GLU  24  12.490  -1.133 -10.132
  533   1HG   GLU  24          1HG       GLU  24  12.055  -3.511 -10.390
  534   2HG   GLU  24          2HG       GLU  24  10.375  -3.169 -10.809
  535    H    ASN  25           H        ASN  25  13.425  -1.308  -7.800
  536    HA   ASN  25           HA       ASN  25  14.099  -4.038  -7.423
  537   1HB   ASN  25          1HB       ASN  25  15.696  -2.036  -7.760
  538   2HB   ASN  25          2HB       ASN  25  15.511  -1.773  -6.027
  539   1HD2  ASN  25          1HD2      ASN  25  17.533  -2.298  -5.380
  540   2HD2  ASN  25          2HD2      ASN  25  18.227  -3.876  -5.575
  541    H    VAL  26           H        VAL  26  12.827  -1.537  -5.326
  542    HA   VAL  26           HA       VAL  26  13.215  -2.808  -2.848
  543    HB   VAL  26           HB       VAL  26  11.001  -0.910  -3.678
  544   1HG1  VAL  26          1HG1      VAL  26  10.773  -0.433  -1.284
  545   2HG1  VAL  26          2HG1      VAL  26  11.969  -1.677  -0.924
  546   3HG1  VAL  26          3HG1      VAL  26  10.422  -2.122  -1.644
  547   1HG2  VAL  26          1HG2      VAL  26  12.403   0.819  -2.641
  548   2HG2  VAL  26          2HG2      VAL  26  13.214   0.050  -4.005
  549   3HG2  VAL  26          3HG2      VAL  26  13.663  -0.381  -2.355
  550    H    LYS  27           H        LYS  27  10.566  -2.925  -5.189
  551    HA   LYS  27           HA       LYS  27   8.834  -4.578  -3.713
  552   1HB   LYS  27          1HB       LYS  27   9.131  -4.149  -6.687
  553   2HB   LYS  27          2HB       LYS  27   7.854  -5.127  -5.976
  554   1HG   LYS  27          1HG       LYS  27   7.025  -3.192  -4.758
  555   2HG   LYS  27          2HG       LYS  27   8.322  -2.203  -5.436
  556   1HD   LYS  27          2HD       LYS  27   7.462  -2.519  -7.663
  557   2HD   LYS  27          1HD       LYS  27   6.247  -3.655  -7.072
  558   1HE   LYS  27          2HE       LYS  27   5.223  -1.857  -5.756
  559   2HE   LYS  27          1HE       LYS  27   6.432  -0.729  -6.365
  560   1HZ   LYS  27          1HZ       LYS  27   4.284  -0.644  -7.551
  561   2HZ   LYS  27          2HZ       LYS  27   4.546  -2.222  -8.094
  562   3HZ   LYS  27          3HZ       LYS  27   5.602  -0.982  -8.566
  563    H    ALA  28           H        ALA  28  11.381  -5.326  -6.045
  564    HA   ALA  28           HA       ALA  28  10.969  -8.105  -6.160
  565   1HB   ALA  28          1HB       ALA  28  13.195  -8.238  -7.093
  566   2HB   ALA  28          2HB       ALA  28  13.580  -6.627  -6.488
  567   3HB   ALA  28          3HB       ALA  28  12.368  -6.827  -7.751
  568    H    LYS  29           H        LYS  29  12.912  -6.079  -4.032
  569    HA   LYS  29           HA       LYS  29  14.202  -8.131  -2.604
  570   1HB   LYS  29          1HB       LYS  29  13.560  -5.260  -2.018
  571   2HB   LYS  29          2HB       LYS  29  14.273  -6.276  -0.774
  572   1HG   LYS  29          1HG       LYS  29  16.233  -6.627  -2.063
  573   2HG   LYS  29          2HG       LYS  29  15.495  -5.910  -3.496
  574   1HD   LYS  29          2HD       LYS  29  15.662  -3.754  -2.658
  575   2HD   LYS  29          1HD       LYS  29  15.777  -4.307  -0.986
  576   1HE   LYS  29          2HE       LYS  29  17.922  -4.958  -2.980
  577   2HE   LYS  29          1HE       LYS  29  17.897  -3.400  -2.156
  578   1HZ   LYS  29          1HZ       LYS  29  18.135  -4.443  -0.067
  579   2HZ   LYS  29          2HZ       LYS  29  19.269  -5.183  -1.085
  580   3HZ   LYS  29          3HZ       LYS  29  17.831  -5.982  -0.704
  581    H    ILE  30           H        ILE  30  11.128  -6.460  -2.099
  582    HA   ILE  30           HA       ILE  30  10.487  -7.727   0.355
  583    HB   ILE  30           HB       ILE  30   8.698  -6.430  -1.710
  584   1HG1  ILE  30          1HG1      ILE  30   9.639  -5.428   0.984
  585   2HG1  ILE  30          2HG1      ILE  30  10.374  -4.979  -0.550
  586   1HG2  ILE  30          1HG2      ILE  30   8.029  -7.363   1.082
  587   2HG2  ILE  30          2HG2      ILE  30   7.380  -8.006  -0.425
  588   3HG2  ILE  30          3HG2      ILE  30   6.987  -6.360   0.072
  589   1HD1  ILE  30          1HD1      ILE  30   8.256  -3.982  -1.260
  590   2HD1  ILE  30          2HD1      ILE  30   8.871  -3.251   0.225
  591   3HD1  ILE  30          3HD1      ILE  30   7.545  -4.412   0.295
  592    H    GLN  31           H        GLN  31   9.712  -8.448  -3.025
  593    HA   GLN  31           HA       GLN  31   7.950 -10.581  -2.590
  594   1HB   GLN  31          1HB       GLN  31   8.177  -9.556  -4.779
  595   2HB   GLN  31          2HB       GLN  31   9.846 -10.098  -4.892
  596   1HG   GLN  31          1HG       GLN  31   9.060 -12.431  -4.843
  597   2HG   GLN  31          2HG       GLN  31   7.399 -11.848  -4.827
  598   1HE2  GLN  31          1HE2      GLN  31   6.968 -12.937  -6.736
  599   2HE2  GLN  31          2HE2      GLN  31   7.533 -12.359  -8.266
  600    H    ASP  32           H        ASP  32  11.465 -10.523  -2.807
  601    HA   ASP  32           HA       ASP  32  11.923 -13.273  -2.953
  602   1HB   ASP  32          1HB       ASP  32  13.646 -11.522  -3.318
  603   2HB   ASP  32          2HB       ASP  32  13.667 -11.218  -1.584
  604    H    LYS  33           H        LYS  33  11.188 -11.269  -0.150
  605    HA   LYS  33           HA       LYS  33  11.637 -13.614   1.561
  606   1HB   LYS  33          1HB       LYS  33  11.448 -11.907   3.447
  607   2HB   LYS  33          2HB       LYS  33  12.883 -11.850   2.431
  608   1HG   LYS  33          1HG       LYS  33  12.192  -9.896   1.357
  609   2HG   LYS  33          2HG       LYS  33  10.511 -10.107   1.860
  610   1HD   LYS  33          2HD       LYS  33  11.612  -8.322   3.127
  611   2HD   LYS  33          1HD       LYS  33  11.145  -9.660   4.175
  612   1HE   LYS  33          2HE       LYS  33  13.529 -10.513   3.847
  613   2HE   LYS  33          1HE       LYS  33  13.881  -8.916   3.190
  614   1HZ   LYS  33          1HZ       LYS  33  14.391  -9.127   5.571
  615   2HZ   LYS  33          2HZ       LYS  33  12.756  -9.414   5.890
  616   3HZ   LYS  33          3HZ       LYS  33  13.244  -7.919   5.262
  617    H    GLU  34           H        GLU  34   9.085 -11.575   0.377
  618    HA   GLU  34           HA       GLU  34   7.263 -12.661   2.409
  619   1HB   GLU  34          1HB       GLU  34   7.057 -10.321   0.537
  620   2HB   GLU  34          2HB       GLU  34   5.642 -10.971   1.354
  621   1HG   GLU  34          1HG       GLU  34   8.111  -9.861   2.668
  622   2HG   GLU  34          2HG       GLU  34   6.531  -9.086   2.572
  623    H    GLY  35           H        GLY  35   8.028 -12.949  -0.945
  624   1HA   GLY  35          1HA       GLY  35   7.240 -14.512  -2.465
  625   2HA   GLY  35          2HA       GLY  35   6.125 -15.088  -1.235
  626    H    ILE  36           H        ILE  36   5.931 -11.757  -1.622
  627    HA   ILE  36           HA       ILE  36   3.398 -12.038  -3.047
  628    HB   ILE  36           HB       ILE  36   4.540  -9.635  -1.608
  629   1HG1  ILE  36          1HG1      ILE  36   2.270 -11.422  -0.726
  630   2HG1  ILE  36          2HG1      ILE  36   3.932 -11.686  -0.213
  631   1HG2  ILE  36          1HG2      ILE  36   1.748 -10.102  -2.652
  632   2HG2  ILE  36          2HG2      ILE  36   2.963  -9.087  -3.430
  633   3HG2  ILE  36          3HG2      ILE  36   2.345  -8.655  -1.837
  634   1HD1  ILE  36          1HD1      ILE  36   2.714 -10.497   1.486
  635   2HD1  ILE  36          2HD1      ILE  36   2.255  -9.249   0.330
  636   3HD1  ILE  36          3HD1      ILE  36   3.945  -9.441   0.793
  637    HA   PRO  37           HA       PRO  37   5.525 -10.788  -6.790
  638   1HB   PRO  37          1HB       PRO  37   2.733 -10.450  -7.730
  639   2HB   PRO  37          2HB       PRO  37   4.050 -11.394  -8.432
  640   1HG   PRO  37          1HG       PRO  37   2.024 -12.586  -7.172
  641   2HG   PRO  37          2HG       PRO  37   3.682 -13.196  -7.032
  642   1HD   PRO  37          1HD       PRO  37   2.080 -11.600  -5.077
  643   2HD   PRO  37          2HD       PRO  37   3.217 -12.933  -4.786
  644    HA   PRO  38           HA       PRO  38   5.534  -6.355  -6.349
  645   1HB   PRO  38          1HB       PRO  38   6.132  -6.471  -9.269
  646   2HB   PRO  38          2HB       PRO  38   6.982  -5.614  -7.976
  647   1HG   PRO  38          1HG       PRO  38   7.993  -7.849  -8.986
  648   2HG   PRO  38          2HG       PRO  38   8.074  -7.530  -7.243
  649   1HD   PRO  38          1HD       PRO  38   6.267  -9.367  -8.755
  650   2HD   PRO  38          2HD       PRO  38   7.019  -9.580  -7.162
  651    H    ASP  39           H        ASP  39   3.729  -7.976  -8.876
  652    HA   ASP  39           HA       ASP  39   2.261  -5.823  -9.893
  653   1HB   ASP  39          1HB       ASP  39   2.242  -7.940 -11.035
  654   2HB   ASP  39          2HB       ASP  39   1.556  -8.751  -9.633
  655    H    GLN  40           H        GLN  40   1.840  -7.736  -7.004
  656    HA   GLN  40           HA       GLN  40  -0.730  -6.479  -6.417
  657   1HB   GLN  40          1HB       GLN  40   0.794  -8.554  -4.835
  658   2HB   GLN  40          2HB       GLN  40  -0.862  -8.039  -4.556
  659   1HG   GLN  40          1HG       GLN  40  -1.621  -9.060  -6.543
  660   2HG   GLN  40          2HG       GLN  40   0.024  -9.310  -7.128
  661   1HE2  GLN  40          1HE2      GLN  40  -0.881  -9.885  -3.815
  662   2HE2  GLN  40          2HE2      GLN  40  -0.757 -11.607  -3.869
  663    H    GLN  41           H        GLN  41   2.508  -5.849  -5.912
  664    HA   GLN  41           HA       GLN  41   2.253  -4.777  -3.237
  665   1HB   GLN  41          1HB       GLN  41   4.526  -4.733  -5.218
  666   2HB   GLN  41          2HB       GLN  41   4.615  -4.039  -3.606
  667   1HG   GLN  41          1HG       GLN  41   4.092  -6.316  -2.707
  668   2HG   GLN  41          2HG       GLN  41   4.290  -6.928  -4.350
  669   1HE2  GLN  41          1HE2      GLN  41   6.104  -8.148  -3.970
  670   2HE2  GLN  41          2HE2      GLN  41   7.638  -7.451  -3.568
  671    H    ARG  42           H        ARG  42   0.797  -3.077  -3.350
  672    HA   ARG  42           HA       ARG  42   1.508  -0.871  -5.148
  673   1HB   ARG  42          1HB       ARG  42  -0.883  -1.819  -5.022
  674   2HB   ARG  42          2HB       ARG  42  -0.983  -1.013  -3.462
  675   1HG   ARG  42          1HG       ARG  42  -0.183   1.070  -4.825
  676   2HG   ARG  42          2HG       ARG  42  -0.826   0.157  -6.193
  677   1HD   ARG  42          1HD       ARG  42  -2.549   1.600  -5.351
  678   2HD   ARG  42          2HD       ARG  42  -2.966  -0.069  -4.974
  679    HE   ARG  42           HE       ARG  42  -1.556   1.197  -2.839
  680   1HH1  ARG  42          1HH1      ARG  42  -4.711   0.855  -4.330
  681   2HH1  ARG  42          2HH1      ARG  42  -5.577   1.210  -2.859
  682   1HH2  ARG  42          1HH2      ARG  42  -2.683   1.704  -0.924
  683   2HH2  ARG  42          2HH2      ARG  42  -4.416   1.709  -0.920
  684    H    LEU  43           H        LEU  43   3.338  -0.329  -3.859
  685    HA   LEU  43           HA       LEU  43   3.130   0.408  -1.121
  686   1HB   LEU  43          1HB       LEU  43   5.190   0.953  -3.248
  687   2HB   LEU  43          2HB       LEU  43   5.357   1.544  -1.606
  688    HG   LEU  43           HG       LEU  43   4.949  -1.382  -2.106
  689   1HD1  LEU  43          1HD1      LEU  43   7.584   0.078  -2.207
  690   2HD1  LEU  43          2HD1      LEU  43   6.794  -0.734  -3.558
  691   3HD1  LEU  43          3HD1      LEU  43   7.375  -1.674  -2.183
  692   1HD2  LEU  43          1HD2      LEU  43   6.183  -1.579  -0.016
  693   2HD2  LEU  43          2HD2      LEU  43   4.781  -0.528   0.180
  694   3HD2  LEU  43          3HD2      LEU  43   6.393   0.170   0.037
  695    H    ILE  44           H        ILE  44   2.117   2.109  -0.355
  696    HA   ILE  44           HA       ILE  44   1.946   4.526  -2.032
  697    HB   ILE  44           HB       ILE  44  -0.049   3.345  -0.106
  698   1HG1  ILE  44          1HG1      ILE  44  -0.098   2.537  -2.433
  699   2HG1  ILE  44          2HG1      ILE  44  -1.557   3.428  -2.017
  700   1HG2  ILE  44          1HG2      ILE  44   0.344   6.158  -0.858
  701   2HG2  ILE  44          2HG2      ILE  44  -0.481   5.453   0.533
  702   3HG2  ILE  44          3HG2      ILE  44  -1.306   5.557  -1.023
  703   1HD1  ILE  44          1HD1      ILE  44  -0.503   5.427  -3.128
  704   2HD1  ILE  44          2HD1      ILE  44  -0.956   4.094  -4.191
  705   3HD1  ILE  44          3HD1      ILE  44   0.733   4.325  -3.737
  706    H    PHE  45           H        PHE  45   2.594   6.416  -1.189
  707    HA   PHE  45           HA       PHE  45   3.592   6.371   1.578
  708   1HB   PHE  45          1HB       PHE  45   5.013   6.971  -0.600
  709   2HB   PHE  45          2HB       PHE  45   4.326   8.564  -0.309
  710    HD1  PHE  45           HD1      PHE  45   5.509   5.960   2.081
  711    HD2  PHE  45           HD2      PHE  45   6.042   9.876   0.501
  712    HE1  PHE  45           HE1      PHE  45   7.262   6.390   3.755
  713    HE2  PHE  45           HE2      PHE  45   7.793  10.314   2.171
  714    HZ   PHE  45           HZ       PHE  45   8.404   8.573   3.799
  715    H    ALA  46           H        ALA  46   1.256   6.636   2.102
  716    HA   ALA  46           HA       ALA  46  -0.475   7.843   2.926
  717   1HB   ALA  46          1HB       ALA  46   0.024  10.023   3.861
  718   2HB   ALA  46          2HB       ALA  46   1.516  10.109   2.925
  719   3HB   ALA  46          3HB       ALA  46   1.340   8.896   4.195
  720    H    GLY  47           H        GLY  47  -0.089   7.770  -0.013
  721   1HA   GLY  47          1HA       GLY  47  -2.155   8.769  -1.167
  722   2HA   GLY  47          2HA       GLY  47  -1.391  10.299  -0.764
  723    H    LYS  48           H        LYS  48   1.228   9.803  -1.296
  724    HA   LYS  48           HA       LYS  48   1.289  10.024  -4.126
  725   1HB   LYS  48          1HB       LYS  48   3.503   9.783  -2.083
  726   2HB   LYS  48          2HB       LYS  48   3.786  10.056  -3.796
  727   1HG   LYS  48          1HG       LYS  48   2.464  12.144  -3.639
  728   2HG   LYS  48          2HG       LYS  48   2.323  11.881  -1.902
  729   1HD   LYS  48          2HD       LYS  48   4.977  12.044  -3.313
  730   2HD   LYS  48          1HD       LYS  48   4.159  13.460  -2.654
  731   1HE   LYS  48          2HE       LYS  48   4.549  11.100  -0.885
  732   2HE   LYS  48          1HE       LYS  48   5.947  12.105  -1.255
  733   1HZ   LYS  48          1HZ       LYS  48   4.859  13.994  -0.340
  734   2HZ   LYS  48          2HZ       LYS  48   4.720  12.746   0.788
  735   3HZ   LYS  48          3HZ       LYS  48   3.394  13.164  -0.175
  736    H    GLN  49           H        GLN  49   1.593   8.542  -5.629
  737    HA   GLN  49           HA       GLN  49   1.869   5.757  -4.863
  738   1HB   GLN  49          1HB       GLN  49   0.197   6.283  -6.530
  739   2HB   GLN  49          2HB       GLN  49   1.379   7.126  -7.516
  740   1HG   GLN  49          1HG       GLN  49   0.932   5.020  -8.525
  741   2HG   GLN  49          2HG       GLN  49   2.561   4.971  -7.854
  742   1HE2  GLN  49          1HE2      GLN  49  -0.701   3.806  -7.567
  743   2HE2  GLN  49          2HE2      GLN  49  -0.349   2.508  -6.481
  744    H    LEU  50           H        LEU  50   3.726   4.658  -4.936
  745    HA   LEU  50           HA       LEU  50   6.123   6.012  -5.795
  746   1HB   LEU  50          1HB       LEU  50   5.803   3.209  -4.730
  747   2HB   LEU  50          2HB       LEU  50   7.305   4.095  -4.884
  748    HG   LEU  50           HG       LEU  50   5.042   4.672  -2.974
  749   1HD1  LEU  50          1HD1      LEU  50   6.680   2.820  -2.474
  750   2HD1  LEU  50          2HD1      LEU  50   6.558   4.094  -1.263
  751   3HD1  LEU  50          3HD1      LEU  50   7.926   4.065  -2.377
  752   1HD2  LEU  50          1HD2      LEU  50   5.865   6.795  -3.733
  753   2HD2  LEU  50          2HD2      LEU  50   7.536   6.269  -3.536
  754   3HD2  LEU  50          3HD2      LEU  50   6.508   6.490  -2.121
  755    H    GLU  51           H        GLU  51   6.517   6.101  -7.899
  756    HA   GLU  51           HA       GLU  51   5.658   4.106  -9.757
  757   1HB   GLU  51          1HB       GLU  51   5.853   6.460 -10.393
  758   2HB   GLU  51          2HB       GLU  51   7.579   6.418 -10.078
  759   1HG   GLU  51          1HG       GLU  51   7.691   4.610 -11.867
  760   2HG   GLU  51          2HG       GLU  51   6.052   5.100 -12.292
  761    H    ASP  52           H        ASP  52   6.740   2.440 -10.603
  762    HA   ASP  52           HA       ASP  52   8.808   1.178  -9.276
  763   1HB   ASP  52          1HB       ASP  52   7.516   0.878 -11.920
  764   2HB   ASP  52          2HB       ASP  52   9.088   0.112 -11.733
  765    H    GLY  53           H        GLY  53   9.028   3.221 -12.168
  766   1HA   GLY  53          1HA       GLY  53  11.861   2.829 -12.436
  767   2HA   GLY  53          2HA       GLY  53  10.865   3.917 -13.381
  768    H    ARG  54           H        ARG  54  10.371   4.518 -10.104
  769    HA   ARG  54           HA       ARG  54  12.264   6.765 -10.267
  770   1HB   ARG  54          1HB       ARG  54   9.727   6.484  -8.650
  771   2HB   ARG  54          2HB       ARG  54  10.843   7.833  -8.506
  772   1HG   ARG  54          1HG       ARG  54   9.236   7.074 -10.929
  773   2HG   ARG  54          2HG       ARG  54   8.988   8.473  -9.885
  774   1HD   ARG  54          1HD       ARG  54  10.354   9.644 -11.183
  775   2HD   ARG  54          2HD       ARG  54  11.673   8.556 -10.753
  776    HE   ARG  54           HE       ARG  54  10.008   7.460 -12.809
  777   1HH1  ARG  54          1HH1      ARG  54  12.616   9.743 -12.225
  778   2HH1  ARG  54          2HH1      ARG  54  13.257   9.611 -13.831
  779   1HH2  ARG  54          1HH2      ARG  54  10.868   7.296 -14.923
  780   2HH2  ARG  54          2HH2      ARG  54  12.261   8.231 -15.365
  781    H    THR  55           H        THR  55  13.252   7.467  -8.251
  782    HA   THR  55           HA       THR  55  14.042   5.140  -6.643
  783    HB   THR  55           HB       THR  55  15.902   6.708  -5.864
  784    HG1  THR  55           HG1      THR  55  14.712   8.269  -7.911
  785   1HG2  THR  55          1HG2      THR  55  17.256   6.319  -7.866
  786   2HG2  THR  55          2HG2      THR  55  15.794   5.973  -8.789
  787   3HG2  THR  55          3HG2      THR  55  16.278   4.904  -7.474
  788    H    LEU  56           H        LEU  56  14.626   5.740  -4.305
  789    HA   LEU  56           HA       LEU  56  12.274   6.623  -3.010
  790   1HB   LEU  56          1HB       LEU  56  15.058   6.143  -1.948
  791   2HB   LEU  56          2HB       LEU  56  13.663   6.467  -0.935
  792    HG   LEU  56           HG       LEU  56  13.648   4.161  -2.859
  793   1HD1  LEU  56          1HD1      LEU  56  14.432   2.712  -1.050
  794   2HD1  LEU  56          2HD1      LEU  56  14.723   4.133  -0.045
  795   3HD1  LEU  56          3HD1      LEU  56  15.660   3.888  -1.517
  796   1HD2  LEU  56          1HD2      LEU  56  11.519   4.733  -1.916
  797   2HD2  LEU  56          2HD2      LEU  56  12.202   4.791  -0.291
  798   3HD2  LEU  56          3HD2      LEU  56  12.089   3.254  -1.146
  799    H    SER  57           H        SER  57  15.213   8.237  -3.959
  800    HA   SER  57           HA       SER  57  14.868  10.534  -2.312
  801   1HB   SER  57          1HB       SER  57  16.425  11.261  -4.525
  802   2HB   SER  57          2HB       SER  57  17.008  10.713  -2.952
  803    HG   SER  57           HG       SER  57  17.465   9.527  -5.156
  804    H    ASP  58           H        ASP  58  13.517   9.516  -5.326
  805    HA   ASP  58           HA       ASP  58  12.910  12.071  -6.410
  806   1HB   ASP  58          1HB       ASP  58  11.767   9.321  -6.884
  807   2HB   ASP  58          2HB       ASP  58  11.123  10.742  -7.698
  808    H    TYR  59           H        TYR  59  11.475  10.153  -3.930
  809    HA   TYR  59           HA       TYR  59   9.126  11.928  -3.899
  810   1HB   TYR  59          1HB       TYR  59   9.452   9.140  -2.775
  811   2HB   TYR  59          2HB       TYR  59   8.013  10.136  -2.582
  812    HD1  TYR  59           HD1      TYR  59   9.670   7.747  -4.628
  813    HD2  TYR  59           HD2      TYR  59   6.844  10.928  -4.735
  814    HE1  TYR  59           HE1      TYR  59   8.807   6.899  -6.766
  815    HE2  TYR  59           HE2      TYR  59   5.969  10.087  -6.876
  816    HH   TYR  59           HH       TYR  59   6.751   8.702  -8.768
  817    H    ASN  60           H        ASN  60  11.965  12.042  -2.664
  818    HA   ASN  60           HA       ASN  60  12.962  12.813  -0.775
  819   1HB   ASN  60          1HB       ASN  60  11.266  14.637  -1.233
  820   2HB   ASN  60          2HB       ASN  60  10.238  13.880  -0.024
  821   1HD2  ASN  60          1HD2      ASN  60  13.751  14.176   0.117
  822   2HD2  ASN  60          2HD2      ASN  60  13.779  15.229   1.485
  823    H    ILE  61           H        ILE  61  12.328  10.179  -0.582
  824    HA   ILE  61           HA       ILE  61  11.072   9.772   2.023
  825    HB   ILE  61           HB       ILE  61  12.120   7.723   0.064
  826   1HG1  ILE  61          1HG1      ILE  61   9.279   8.612   0.613
  827   2HG1  ILE  61          2HG1      ILE  61  10.217   9.031  -0.818
  828   1HG2  ILE  61          1HG2      ILE  61  12.094   6.899   2.360
  829   2HG2  ILE  61          2HG2      ILE  61  10.844   6.110   1.396
  830   3HG2  ILE  61          3HG2      ILE  61  10.407   7.391   2.526
  831   1HD1  ILE  61          1HD1      ILE  61   9.296   6.287  -0.001
  832   2HD1  ILE  61          2HD1      ILE  61  10.345   6.627  -1.377
  833   3HD1  ILE  61          3HD1      ILE  61   8.697   7.256  -1.347
  834    H    GLN  62           H        GLN  62  12.369  10.123   3.680
  835    HA   GLN  62           HA       GLN  62  15.224   9.710   3.501
  836   1HB   GLN  62          1HB       GLN  62  13.455  10.619   5.778
  837   2HB   GLN  62          2HB       GLN  62  15.207  10.536   5.857
  838   1HG   GLN  62          1HG       GLN  62  15.255  12.114   3.895
  839   2HG   GLN  62          2HG       GLN  62  13.524  12.327   4.138
  840   1HE2  GLN  62          1HE2      GLN  62  15.832  11.870   6.732
  841   2HE2  GLN  62          2HE2      GLN  62  15.680  13.458   7.394
  842    H    LYS  63           H        LYS  63  16.120   8.744   5.749
  843    HA   LYS  63           HA       LYS  63  15.415   5.966   5.653
  844   1HB   LYS  63          1HB       LYS  63  17.171   5.706   7.384
  845   2HB   LYS  63          2HB       LYS  63  17.734   6.576   5.965
  846   1HG   LYS  63          1HG       LYS  63  17.465   8.695   7.168
  847   2HG   LYS  63          2HG       LYS  63  16.931   7.805   8.595
  848   1HD   LYS  63          2HD       LYS  63  19.093   6.637   8.661
  849   2HD   LYS  63          1HD       LYS  63  19.625   7.563   7.256
  850   1HE   LYS  63          2HE       LYS  63  20.532   8.626   9.178
  851   2HE   LYS  63          1HE       LYS  63  19.214   9.643   8.600
  852   1HZ   LYS  63          1HZ       LYS  63  19.420   8.081  11.045
  853   2HZ   LYS  63          2HZ       LYS  63  17.894   8.129  10.319
  854   3HZ   LYS  63          3HZ       LYS  63  18.664   9.569  10.777
  855    H    GLU  64           H        GLU  64  14.863   4.703   7.580
  856    HA   GLU  64           HA       GLU  64  13.535   4.187   9.339
  857   1HB   GLU  64          1HB       GLU  64  14.231   7.018  10.077
  858   2HB   GLU  64          2HB       GLU  64  13.119   6.070  11.055
  859   1HG   GLU  64          1HG       GLU  64  14.988   5.504  12.158
  860   2HG   GLU  64          2HG       GLU  64  15.162   4.331  10.857
  861    H    SER  65           H        SER  65  12.455   5.477   6.811
  862    HA   SER  65           HA       SER  65   9.982   6.674   7.729
  863   1HB   SER  65          1HB       SER  65  10.893   5.980   4.925
  864   2HB   SER  65          2HB       SER  65   9.448   6.905   5.334
  865    HG   SER  65           HG       SER  65  12.088   7.682   5.256
  866    H    THR  66           H        THR  66   7.909   5.806   7.324
  867    HA   THR  66           HA       THR  66   7.899   2.876   7.265
  868    HB   THR  66           HB       THR  66   5.477   4.442   8.020
  869    HG1  THR  66           HG1      THR  66   6.965   5.510   9.262
  870   1HG2  THR  66          1HG2      THR  66   5.186   2.591   9.595
  871   2HG2  THR  66          2HG2      THR  66   6.748   1.927   9.114
  872   3HG2  THR  66          3HG2      THR  66   5.421   1.988   7.954
  873    H    LEU  67           H        LEU  67   7.570   2.117   5.282
  874    HA   LEU  67           HA       LEU  67   5.948   3.546   3.350
  875   1HB   LEU  67          1HB       LEU  67   7.375   0.889   3.198
  876   2HB   LEU  67          2HB       LEU  67   6.519   1.630   1.860
  877    HG   LEU  67           HG       LEU  67   8.937   2.815   3.233
  878   1HD1  LEU  67          1HD1      LEU  67  10.136   2.194   1.199
  879   2HD1  LEU  67          2HD1      LEU  67   8.688   1.397   0.584
  880   3HD1  LEU  67          3HD1      LEU  67   9.493   0.775   2.025
  881   1HD2  LEU  67          1HD2      LEU  67   8.951   4.304   1.237
  882   2HD2  LEU  67          2HD2      LEU  67   7.556   4.542   2.290
  883   3HD2  LEU  67          3HD2      LEU  67   7.380   3.641   0.786
  884    H    HIS  68           H        HIS  68   3.830   3.156   2.982
  885    HA   HIS  68           HA       HIS  68   2.562   1.043   4.532
  886   1HB   HIS  68          1HB       HIS  68   1.404   3.310   2.899
  887   2HB   HIS  68          2HB       HIS  68   0.426   2.105   3.733
  888    HD1  HIS  68           HD1      HIS  68   0.314   2.258   6.328
  889    HD2  HIS  68           HD2      HIS  68   2.557   5.265   4.529
  890    HE1  HIS  68           HE1      HIS  68   0.668   3.998   8.107
  891    HE2  HIS  68           HE2      HIS  68   2.116   5.757   7.029
  892    H    LEU  69           H        LEU  69   2.857  -0.864   3.566
  893    HA   LEU  69           HA       LEU  69   2.597  -1.132   0.689
  894   1HB   LEU  69          1HB       LEU  69   4.372  -2.365   1.742
  895   2HB   LEU  69          2HB       LEU  69   3.252  -3.114   2.862
  896    HG   LEU  69           HG       LEU  69   2.213  -4.348   1.005
  897   1HD1  LEU  69          1HD1      LEU  69   4.347  -3.043  -0.673
  898   2HD1  LEU  69          2HD1      LEU  69   2.605  -2.808  -0.813
  899   3HD1  LEU  69          3HD1      LEU  69   3.320  -4.375  -1.194
  900   1HD2  LEU  69          1HD2      LEU  69   5.209  -4.648   1.186
  901   2HD2  LEU  69          2HD2      LEU  69   4.095  -5.861   0.552
  902   3HD2  LEU  69          3HD2      LEU  69   4.015  -5.394   2.250
  903    H    VAL  70           H        VAL  70   0.638  -1.240  -0.140
  904    HA   VAL  70           HA       VAL  70  -1.435  -2.740   1.311
  905    HB   VAL  70           HB       VAL  70  -1.894  -0.687  -0.856
  906   1HG1  VAL  70          1HG1      VAL  70  -4.190  -0.698  -0.026
  907   2HG1  VAL  70          2HG1      VAL  70  -3.758  -1.929   1.162
  908   3HG1  VAL  70          3HG1      VAL  70  -3.694  -2.303  -0.561
  909   1HG2  VAL  70          1HG2      VAL  70  -0.885   0.499   0.955
  910   2HG2  VAL  70          2HG2      VAL  70  -1.889  -0.339   2.139
  911   3HG2  VAL  70          3HG2      VAL  70  -2.620   0.809   1.017
  912    H    LEU  71           H        LEU  71  -1.835  -4.679   0.475
  913    HA   LEU  71           HA       LEU  71  -0.824  -5.430  -2.089
  914   1HB   LEU  71          1HB       LEU  71  -2.048  -6.769   0.198
  915   2HB   LEU  71          2HB       LEU  71  -2.567  -7.437  -1.338
  916    HG   LEU  71           HG       LEU  71  -0.194  -7.781  -1.962
  917   1HD1  LEU  71          1HD1      LEU  71   1.579  -7.417  -0.464
  918   2HD1  LEU  71          2HD1      LEU  71   0.488  -7.141   0.892
  919   3HD1  LEU  71          3HD1      LEU  71   0.614  -5.944  -0.397
  920   1HD2  LEU  71          1HD2      LEU  71  -1.515  -9.578  -0.929
  921   2HD2  LEU  71          2HD2      LEU  71  -0.977  -9.046   0.665
  922   3HD2  LEU  71          3HD2      LEU  71   0.191  -9.678  -0.495
  923    H    ARG  72           H        ARG  72  -1.734  -4.926  -3.919
  924    HA   ARG  72           HA       ARG  72  -4.537  -4.193  -4.024
  925   1HB   ARG  72          1HB       ARG  72  -2.812  -2.846  -5.191
  926   2HB   ARG  72          2HB       ARG  72  -2.468  -4.220  -6.229
  927   1HG   ARG  72          1HG       ARG  72  -4.405  -3.988  -7.420
  928   2HG   ARG  72          2HG       ARG  72  -5.265  -3.224  -6.083
  929   1HD   ARG  72          1HD       ARG  72  -4.786  -1.675  -7.944
  930   2HD   ARG  72          2HD       ARG  72  -4.078  -1.168  -6.413
  931    HE   ARG  72           HE       ARG  72  -2.079  -2.556  -7.645
  932   1HH1  ARG  72          1HH1      ARG  72  -4.091   0.180  -8.512
  933   2HH1  ARG  72          2HH1      ARG  72  -2.879   0.891  -9.540
  934   1HH2  ARG  72          1HH2      ARG  72  -0.496  -1.611  -8.984
  935   2HH2  ARG  72          2HH2      ARG  72  -0.846  -0.125  -9.808
  936    H    LEU  73           H        LEU  73  -4.853  -6.589  -3.371
  937    HA   LEU  73           HA       LEU  73  -4.790  -8.434  -5.600
  938   1HB   LEU  73          1HB       LEU  73  -5.589  -8.603  -2.727
  939   2HB   LEU  73          2HB       LEU  73  -6.208  -9.798  -3.850
  940    HG   LEU  73           HG       LEU  73  -3.264  -9.279  -3.727
  941   1HD1  LEU  73          1HD1      LEU  73  -3.875  -9.618  -1.414
  942   2HD1  LEU  73          2HD1      LEU  73  -3.078 -11.065  -2.034
  943   3HD1  LEU  73          3HD1      LEU  73  -4.832 -11.035  -1.843
  944   1HD2  LEU  73          1HD2      LEU  73  -4.936 -11.715  -4.330
  945   2HD2  LEU  73          2HD2      LEU  73  -3.176 -11.624  -4.407
  946   3HD2  LEU  73          3HD2      LEU  73  -4.156 -10.671  -5.518
  947    H    ARG  74           H        ARG  74  -6.284  -8.402  -7.118
  948    HA   ARG  74           HA       ARG  74  -8.640  -6.821  -6.877
  949   1HB   ARG  74          1HB       ARG  74  -7.562  -8.664  -8.989
  950   2HB   ARG  74          2HB       ARG  74  -9.175  -7.980  -9.130
  951   1HG   ARG  74          1HG       ARG  74  -7.780  -6.554 -10.360
  952   2HG   ARG  74          2HG       ARG  74  -8.096  -5.708  -8.847
  953   1HD   ARG  74          1HD       ARG  74  -5.818  -5.407  -9.106
  954   2HD   ARG  74          2HD       ARG  74  -5.885  -6.822  -8.058
  955    HE   ARG  74           HE       ARG  74  -5.815  -7.592 -10.785
  956   1HH1  ARG  74          1HH1      ARG  74  -3.757  -6.440  -8.181
  957   2HH1  ARG  74          2HH1      ARG  74  -2.305  -7.067  -8.902
  958   1HH2  ARG  74          1HH2      ARG  74  -3.895  -8.419 -11.695
  959   2HH2  ARG  74          2HH2      ARG  74  -2.375  -8.177 -10.882
  960    H    GLY  75           H        GLY  75 -10.549  -7.347  -6.076
  961   1HA   GLY  75          1HA       GLY  75 -11.755  -9.907  -6.434
  962   2HA   GLY  75          2HA       GLY  75 -11.181  -9.697  -4.786
  963    H    GLY  76           H        GLY  76 -13.795 -10.074  -4.984
  964   1HA   GLY  76          1HA       GLY  76 -15.611  -9.016  -3.919
  965   2HA   GLY  76          2HA       GLY  76 -14.866  -7.458  -4.249
  Start of MODEL    9
    1    H    GLY  63           H        GLY  63 -23.195  14.780  -3.318
    2   1HA   GLY  63          1HA       GLY  63 -20.455  14.290  -2.311
    3   2HA   GLY  63          2HA       GLY  63 -21.885  14.591  -1.334
    4    H    SER  64           H        SER  64 -21.058  12.490  -0.407
    5    HA   SER  64           HA       SER  64 -22.697  10.360  -1.409
    6   1HB   SER  64          1HB       SER  64 -20.754   9.992  -2.845
    7   2HB   SER  64          2HB       SER  64 -19.679  10.036  -1.451
    8    HG   SER  64           HG       SER  64 -21.163   7.974  -2.429
    9    H    GLN  65           H        GLN  65 -22.794   8.578   0.101
   10    HA   GLN  65           HA       GLN  65 -22.689   9.448   2.801
   11   1HB   GLN  65          1HB       GLN  65 -23.107   6.666   1.706
   12   2HB   GLN  65          2HB       GLN  65 -23.498   7.206   3.334
   13   1HG   GLN  65          1HG       GLN  65 -25.169   8.724   2.464
   14   2HG   GLN  65          2HG       GLN  65 -24.737   8.282   0.812
   15   1HE2  GLN  65          1HE2      GLN  65 -26.204   7.202   3.771
   16   2HE2  GLN  65          2HE2      GLN  65 -27.077   5.875   3.089
   17    H    TRP  66           H        TRP  66 -20.377   8.000   0.765
   18    HA   TRP  66           HA       TRP  66 -18.735   7.291   3.109
   19   1HB   TRP  66          1HB       TRP  66 -18.626   6.107   0.327
   20   2HB   TRP  66          2HB       TRP  66 -17.556   5.683   1.657
   21    HD1  TRP  66           HD1      TRP  66 -18.725   4.344   3.754
   22    HE1  TRP  66           HE1      TRP  66 -20.722   2.709   3.752
   23    HE3  TRP  66           HE3      TRP  66 -20.798   5.599  -0.752
   24    HZ2  TRP  66           HZ2      TRP  66 -22.878   2.052   2.068
   25    HZ3  TRP  66           HZ3      TRP  66 -22.835   4.418  -1.480
   26    HH2  TRP  66           HH2      TRP  66 -23.847   2.683  -0.098
   27    H    GLN  67           H        GLN  67 -19.119   9.730   1.098
   28    HA   GLN  67           HA       GLN  67 -16.714  10.089  -0.266
   29   1HB   GLN  67          1HB       GLN  67 -18.839  11.466  -0.487
   30   2HB   GLN  67          2HB       GLN  67 -18.281  12.369   0.911
   31   1HG   GLN  67          1HG       GLN  67 -16.438  13.231  -0.224
   32   2HG   GLN  67          2HG       GLN  67 -16.553  12.029  -1.505
   33   1HE2  GLN  67          1HE2      GLN  67 -18.002  12.325  -3.169
   34   2HE2  GLN  67          2HE2      GLN  67 -18.821  13.827  -3.435
   35    HA   PRO  68           HA       PRO  68 -14.983  12.517   3.577
   36   1HB   PRO  68          1HB       PRO  68 -16.411  11.229   5.822
   37   2HB   PRO  68          2HB       PRO  68 -16.028  12.934   5.565
   38   1HG   PRO  68          1HG       PRO  68 -18.527  12.029   5.318
   39   2HG   PRO  68          2HG       PRO  68 -17.892  13.292   4.249
   40   1HD   PRO  68          1HD       PRO  68 -18.256  10.366   3.711
   41   2HD   PRO  68          2HD       PRO  68 -18.600  11.755   2.660
   42    H    GLN  69           H        GLN  69 -16.065   9.196   3.743
   43    HA   GLN  69           HA       GLN  69 -13.838   8.239   5.266
   44   1HB   GLN  69          1HB       GLN  69 -15.976   6.871   3.634
   45   2HB   GLN  69          2HB       GLN  69 -14.689   5.975   4.425
   46   1HG   GLN  69          1HG       GLN  69 -16.562   5.877   5.854
   47   2HG   GLN  69          2HG       GLN  69 -15.428   7.008   6.589
   48   1HE2  GLN  69          1HE2      GLN  69 -17.032   8.016   7.772
   49   2HE2  GLN  69          2HE2      GLN  69 -18.198   9.064   7.045
   50    H    LEU  70           H        LEU  70 -14.638   8.561   1.864
   51    HA   LEU  70           HA       LEU  70 -12.520   7.032   0.806
   52   1HB   LEU  70          1HB       LEU  70 -13.838   9.448  -0.434
   53   2HB   LEU  70          2HB       LEU  70 -12.902   8.233  -1.282
   54    HG   LEU  70           HG       LEU  70 -15.581   7.825   0.047
   55   1HD1  LEU  70          1HD1      LEU  70 -15.481   9.087  -2.137
   56   2HD1  LEU  70          2HD1      LEU  70 -16.479   7.635  -2.121
   57   3HD1  LEU  70          3HD1      LEU  70 -14.881   7.595  -2.866
   58   1HD2  LEU  70          1HD2      LEU  70 -13.876   5.857  -1.472
   59   2HD2  LEU  70          2HD2      LEU  70 -15.506   5.569  -0.864
   60   3HD2  LEU  70          3HD2      LEU  70 -14.178   5.835   0.264
   61    H    GLN  71           H        GLN  71 -12.765  10.427   1.716
   62    HA   GLN  71           HA       GLN  71 -10.316  11.314   0.690
   63   1HB   GLN  71          1HB       GLN  71 -11.901  12.267   3.078
   64   2HB   GLN  71          2HB       GLN  71 -10.512  13.123   2.418
   65   1HG   GLN  71          1HG       GLN  71 -13.074  12.522   0.954
   66   2HG   GLN  71          2HG       GLN  71 -12.608  14.078   1.638
   67   1HE2  GLN  71          1HE2      GLN  71 -11.094  15.327   0.598
   68   2HE2  GLN  71          2HE2      GLN  71 -10.523  14.982  -0.998
   69    H    GLN  72           H        GLN  72 -11.121   9.876   3.820
   70    HA   GLN  72           HA       GLN  72  -8.581  10.197   5.003
   71   1HB   GLN  72          1HB       GLN  72 -10.852   8.291   5.502
   72   2HB   GLN  72          2HB       GLN  72  -9.362   8.206   6.431
   73   1HG   GLN  72          1HG       GLN  72 -11.203  10.581   6.251
   74   2HG   GLN  72          2HG       GLN  72 -11.074   9.464   7.607
   75   1HE2  GLN  72          1HE2      GLN  72  -9.702  12.176   6.002
   76   2HE2  GLN  72          2HE2      GLN  72  -8.459  12.505   7.157
   77    H    LEU  73           H        LEU  73  -9.936   7.755   2.897
   78    HA   LEU  73           HA       LEU  73  -7.731   5.948   3.190
   79   1HB   LEU  73          1HB       LEU  73 -10.049   6.079   1.283
   80   2HB   LEU  73          2HB       LEU  73  -8.792   4.867   1.137
   81    HG   LEU  73           HG       LEU  73 -10.735   5.222   3.410
   82   1HD1  LEU  73          1HD1      LEU  73 -11.659   4.037   1.552
   83   2HD1  LEU  73          2HD1      LEU  73 -11.299   2.879   2.832
   84   3HD1  LEU  73          3HD1      LEU  73 -10.232   3.009   1.434
   85   1HD2  LEU  73          1HD2      LEU  73  -9.543   3.098   4.255
   86   2HD2  LEU  73          2HD2      LEU  73  -8.800   4.667   4.569
   87   3HD2  LEU  73          3HD2      LEU  73  -8.191   3.647   3.264
   88    H    ARG  74           H        ARG  74  -8.750   8.291   0.718
   89    HA   ARG  74           HA       ARG  74  -6.691   7.766  -1.117
   90   1HB   ARG  74          1HB       ARG  74  -8.226  10.316  -0.576
   91   2HB   ARG  74          2HB       ARG  74  -7.120  10.113  -1.925
   92   1HG   ARG  74          1HG       ARG  74  -8.550   8.150  -2.632
   93   2HG   ARG  74          2HG       ARG  74  -9.723   8.700  -1.433
   94   1HD   ARG  74          1HD       ARG  74 -10.368   9.612  -3.537
   95   2HD   ARG  74          2HD       ARG  74  -9.713  10.930  -2.568
   96    HE   ARG  74           HE       ARG  74  -7.561  10.389  -3.896
   97   1HH1  ARG  74          1HH1      ARG  74 -10.832  10.265  -5.155
   98   2HH1  ARG  74          2HH1      ARG  74 -10.345  10.535  -6.797
   99   1HH2  ARG  74          1HH2      ARG  74  -6.925  10.775  -6.049
  100   2HH2  ARG  74          2HH2      ARG  74  -8.124  10.865  -7.302
  101    H    ASP  75           H        ASP  75  -6.830   9.845   1.714
  102    HA   ASP  75           HA       ASP  75  -4.367  11.165   1.329
  103   1HB   ASP  75          1HB       ASP  75  -5.991  12.043   2.890
  104   2HB   ASP  75          2HB       ASP  75  -5.920  10.572   3.857
  105    H    MET  76           H        MET  76  -5.226   8.189   3.042
  106    HA   MET  76           HA       MET  76  -2.605   7.768   4.070
  107   1HB   MET  76          1HB       MET  76  -3.391   5.754   4.972
  108   2HB   MET  76          2HB       MET  76  -4.781   6.825   5.008
  109   1HG   MET  76          1HG       MET  76  -5.834   5.042   4.155
  110   2HG   MET  76          2HG       MET  76  -5.175   5.640   2.633
  111   1HE   MET  76          1HE       MET  76  -5.334   2.905   5.231
  112   2HE   MET  76          2HE       MET  76  -3.751   3.496   5.740
  113   3HE   MET  76          3HE       MET  76  -3.896   1.917   4.970
  114    H    GLY  77           H        GLY  77  -4.114   7.064   1.023
  115   1HA   GLY  77          1HA       GLY  77  -2.052   6.699  -0.542
  116   2HA   GLY  77          2HA       GLY  77  -1.935   5.206   0.367
  117    H    ILE  78           H        ILE  78  -5.113   5.476   0.300
  118    HA   ILE  78           HA       ILE  78  -5.300   3.750  -2.020
  119    HB   ILE  78           HB       ILE  78  -7.707   4.629  -0.462
  120   1HG1  ILE  78          1HG1      ILE  78  -5.948   3.970   1.189
  121   2HG1  ILE  78          2HG1      ILE  78  -7.345   2.899   1.193
  122   1HG2  ILE  78          1HG2      ILE  78  -8.493   2.380  -1.026
  123   2HG2  ILE  78          2HG2      ILE  78  -6.950   2.035  -1.808
  124   3HG2  ILE  78          3HG2      ILE  78  -8.016   3.273  -2.471
  125   1HD1  ILE  78          1HD1      ILE  78  -4.651   2.369  -0.031
  126   2HD1  ILE  78          2HD1      ILE  78  -6.052   1.316  -0.214
  127   3HD1  ILE  78          3HD1      ILE  78  -5.359   1.589   1.384
  128    H    GLN  79           H        GLN  79  -4.621   5.562  -3.404
  129    HA   GLN  79           HA       GLN  79  -6.152   7.821  -3.958
  130   1HB   GLN  79          1HB       GLN  79  -4.540   6.216  -5.949
  131   2HB   GLN  79          2HB       GLN  79  -4.973   7.916  -6.072
  132   1HG   GLN  79          1HG       GLN  79  -3.399   8.573  -4.554
  133   2HG   GLN  79          2HG       GLN  79  -3.410   7.023  -3.709
  134   1HE2  GLN  79          1HE2      GLN  79  -2.179   8.783  -6.455
  135   2HE2  GLN  79          2HE2      GLN  79  -0.918   7.666  -6.846
  136    H    ASP  80           H        ASP  80  -6.601   4.503  -4.897
  137    HA   ASP  80           HA       ASP  80  -8.472   5.038  -6.992
  138   1HB   ASP  80          1HB       ASP  80  -7.706   2.538  -5.487
  139   2HB   ASP  80          2HB       ASP  80  -8.996   2.547  -6.685
  140    H    ASP  81           H        ASP  81 -10.052   6.364  -6.139
  141    HA   ASP  81           HA       ASP  81 -11.423   5.886  -3.723
  142   1HB   ASP  81          1HB       ASP  81 -12.845   7.664  -4.313
  143   2HB   ASP  81          2HB       ASP  81 -11.313   8.059  -5.082
  144    H    GLU  82           H        GLU  82 -11.864   4.647  -6.951
  145    HA   GLU  82           HA       GLU  82 -14.513   3.719  -6.665
  146   1HB   GLU  82          1HB       GLU  82 -13.417   3.862  -8.856
  147   2HB   GLU  82          2HB       GLU  82 -12.276   2.611  -8.374
  148   1HG   GLU  82          1HG       GLU  82 -14.199   1.058  -8.099
  149   2HG   GLU  82          2HG       GLU  82 -15.245   2.309  -8.767
  150    H    LEU  83           H        LEU  83 -11.382   2.132  -6.150
  151    HA   LEU  83           HA       LEU  83 -12.401  -0.352  -5.298
  152   1HB   LEU  83          1HB       LEU  83  -9.892   0.692  -5.762
  153   2HB   LEU  83          2HB       LEU  83  -9.900   0.511  -4.020
  154    HG   LEU  83           HG       LEU  83  -8.904  -1.433  -5.062
  155   1HD1  LEU  83          1HD1      LEU  83 -10.283  -3.196  -4.082
  156   2HD1  LEU  83          2HD1      LEU  83 -11.627  -2.063  -3.937
  157   3HD1  LEU  83          3HD1      LEU  83 -10.150  -1.803  -3.010
  158   1HD2  LEU  83          1HD2      LEU  83 -10.131  -2.889  -6.551
  159   2HD2  LEU  83          2HD2      LEU  83 -10.048  -1.262  -7.228
  160   3HD2  LEU  83          3HD2      LEU  83 -11.537  -1.828  -6.471
  161    H    SER  84           H        SER  84 -11.573   2.622  -3.633
  162    HA   SER  84           HA       SER  84 -11.926   1.771  -0.992
  163   1HB   SER  84          1HB       SER  84 -12.479   4.529  -2.115
  164   2HB   SER  84          2HB       SER  84 -12.117   4.133  -0.436
  165    HG   SER  84           HG       SER  84 -10.398   3.938  -2.685
  166    H    LEU  85           H        LEU  85 -14.216   3.343  -3.223
  167    HA   LEU  85           HA       LEU  85 -16.432   3.379  -1.519
  168   1HB   LEU  85          1HB       LEU  85 -15.989   4.400  -3.920
  169   2HB   LEU  85          2HB       LEU  85 -16.787   2.933  -4.450
  170    HG   LEU  85           HG       LEU  85 -18.275   4.940  -4.273
  171   1HD1  LEU  85          1HD1      LEU  85 -20.128   3.771  -3.232
  172   2HD1  LEU  85          2HD1      LEU  85 -19.012   2.632  -2.480
  173   3HD1  LEU  85          3HD1      LEU  85 -19.185   2.669  -4.234
  174   1HD2  LEU  85          1HD2      LEU  85 -18.121   4.550  -1.304
  175   2HD2  LEU  85          2HD2      LEU  85 -18.899   5.850  -2.210
  176   3HD2  LEU  85          3HD2      LEU  85 -17.140   5.741  -2.153
  177    H    ARG  86           H        ARG  86 -15.423   0.957  -3.916
  178    HA   ARG  86           HA       ARG  86 -17.584  -0.792  -3.597
  179   1HB   ARG  86          1HB       ARG  86 -14.744  -1.216  -4.490
  180   2HB   ARG  86          2HB       ARG  86 -15.898  -2.543  -4.421
  181   1HG   ARG  86          1HG       ARG  86 -17.373  -1.301  -5.960
  182   2HG   ARG  86          2HG       ARG  86 -16.148  -0.035  -6.070
  183   1HD   ARG  86          1HD       ARG  86 -16.103  -1.678  -7.947
  184   2HD   ARG  86          2HD       ARG  86 -14.582  -1.535  -7.064
  185    HE   ARG  86           HE       ARG  86 -16.346  -3.648  -6.161
  186   1HH1  ARG  86          1HH1      ARG  86 -13.681  -2.779  -8.259
  187   2HH1  ARG  86          2HH1      ARG  86 -13.073  -4.399  -8.369
  188   1HH2  ARG  86          1HH2      ARG  86 -15.560  -5.764  -6.296
  189   2HH2  ARG  86          2HH2      ARG  86 -14.133  -6.106  -7.229
  190    H    ALA  87           H        ALA  87 -14.475  -0.672  -1.888
  191    HA   ALA  87           HA       ALA  87 -14.971  -3.002  -0.327
  192   1HB   ALA  87          1HB       ALA  87 -13.066  -0.738   0.252
  193   2HB   ALA  87          2HB       ALA  87 -12.715  -2.114  -0.795
  194   3HB   ALA  87          3HB       ALA  87 -13.011  -2.367   0.925
  195    H    LEU  88           H        LEU  88 -15.367   0.472   0.242
  196    HA   LEU  88           HA       LEU  88 -16.179   0.337   2.933
  197   1HB   LEU  88          1HB       LEU  88 -16.295   2.303   0.750
  198   2HB   LEU  88          2HB       LEU  88 -17.568   2.479   1.938
  199    HG   LEU  88           HG       LEU  88 -15.600   3.920   2.370
  200   1HD1  LEU  88          1HD1      LEU  88 -17.095   3.209   4.185
  201   2HD1  LEU  88          2HD1      LEU  88 -15.440   3.463   4.731
  202   3HD1  LEU  88          3HD1      LEU  88 -16.046   1.825   4.487
  203   1HD2  LEU  88          1HD2      LEU  88 -14.173   1.319   2.902
  204   2HD2  LEU  88          2HD2      LEU  88 -13.536   2.937   3.190
  205   3HD2  LEU  88          3HD2      LEU  88 -13.869   2.402   1.544
  206    H    GLN  89           H        GLN  89 -17.972   0.242  -0.090
  207    HA   GLN  89           HA       GLN  89 -20.570   0.131   0.989
  208   1HB   GLN  89          1HB       GLN  89 -20.012   0.677  -1.362
  209   2HB   GLN  89          2HB       GLN  89 -19.532  -0.992  -1.618
  210   1HG   GLN  89          1HG       GLN  89 -21.856  -1.673  -1.057
  211   2HG   GLN  89          2HG       GLN  89 -22.291   0.036  -1.022
  212   1HE2  GLN  89          1HE2      GLN  89 -21.302  -2.632  -3.017
  213   2HE2  GLN  89          2HE2      GLN  89 -21.702  -1.901  -4.536
  214    H    ALA  90           H        ALA  90 -18.197  -2.353   0.219
  215    HA   ALA  90           HA       ALA  90 -19.902  -4.590   0.562
  216   1HB   ALA  90          1HB       ALA  90 -16.909  -4.504   0.905
  217   2HB   ALA  90          2HB       ALA  90 -17.724  -4.602  -0.655
  218   3HB   ALA  90          3HB       ALA  90 -17.899  -5.909   0.518
  219    H    THR  91           H        THR  91 -18.129  -2.586   2.775
  220    HA   THR  91           HA       THR  91 -18.664  -4.467   4.964
  221    HB   THR  91           HB       THR  91 -17.103  -2.904   6.252
  222    HG1  THR  91           HG1      THR  91 -16.251  -2.127   3.651
  223   1HG2  THR  91          1HG2      THR  91 -16.407  -5.106   5.468
  224   2HG2  THR  91          2HG2      THR  91 -15.091  -3.945   5.281
  225   3HG2  THR  91          3HG2      THR  91 -16.038  -4.439   3.877
  226    H    GLY  92           H        GLY  92 -20.393  -2.276   3.558
  227   1HA   GLY  92          1HA       GLY  92 -22.283  -1.177   4.334
  228   2HA   GLY  92          2HA       GLY  92 -21.752  -1.479   5.982
  229    H    GLY  93           H        GLY  93 -19.344  -0.308   6.136
  230   1HA   GLY  93          1HA       GLY  93 -18.852   2.117   4.965
  231   2HA   GLY  93          2HA       GLY  93 -20.029   2.468   6.220
  232    H    ASP  94           H        ASP  94 -17.191   0.301   6.054
  233    HA   ASP  94           HA       ASP  94 -16.139   1.722   8.407
  234   1HB   ASP  94          1HB       ASP  94 -17.061  -0.570   8.951
  235   2HB   ASP  94          2HB       ASP  94 -15.787  -1.238   7.937
  236    H    ILE  95           H        ILE  95 -13.965   2.086   8.475
  237    HA   ILE  95           HA       ILE  95 -12.633   2.169   5.945
  238    HB   ILE  95           HB       ILE  95 -11.730   2.929   8.719
  239   1HG1  ILE  95          1HG1      ILE  95 -13.544   4.299   7.747
  240   2HG1  ILE  95          2HG1      ILE  95 -12.060   5.220   7.948
  241   1HG2  ILE  95          1HG2      ILE  95 -10.318   3.535   6.127
  242   2HG2  ILE  95          2HG2      ILE  95  -9.821   2.286   7.267
  243   3HG2  ILE  95          3HG2      ILE  95  -9.798   3.982   7.752
  244   1HD1  ILE  95          1HD1      ILE  95 -13.007   5.816   5.858
  245   2HD1  ILE  95          2HD1      ILE  95 -13.207   4.128   5.393
  246   3HD1  ILE  95          3HD1      ILE  95 -11.589   4.820   5.525
  247    H    GLN  96           H        GLN  96 -11.659   0.689   9.068
  248    HA   GLN  96           HA       GLN  96  -9.479  -0.693   7.949
  249   1HB   GLN  96          1HB       GLN  96 -10.909  -0.806  10.543
  250   2HB   GLN  96          2HB       GLN  96  -9.887  -2.168  10.117
  251   1HG   GLN  96          1HG       GLN  96  -9.025   0.711  10.270
  252   2HG   GLN  96          2HG       GLN  96  -8.684  -0.543  11.459
  253   1HE2  GLN  96          1HE2      GLN  96  -8.176  -2.608   9.464
  254   2HE2  GLN  96          2HE2      GLN  96  -6.641  -2.225   8.756
  255    H    ALA  97           H        ALA  97 -12.790  -1.814   8.692
  256    HA   ALA  97           HA       ALA  97 -12.388  -4.505   8.046
  257   1HB   ALA  97          1HB       ALA  97 -14.437  -3.476   9.109
  258   2HB   ALA  97          2HB       ALA  97 -14.733  -4.728   7.906
  259   3HB   ALA  97          3HB       ALA  97 -14.946  -3.029   7.482
  260    H    ALA  98           H        ALA  98 -13.063  -1.732   5.993
  261    HA   ALA  98           HA       ALA  98 -13.530  -3.151   3.598
  262   1HB   ALA  98          1HB       ALA  98 -14.146  -0.796   3.910
  263   2HB   ALA  98          2HB       ALA  98 -13.139  -1.023   2.482
  264   3HB   ALA  98          3HB       ALA  98 -12.438  -0.360   3.957
  265    H    LEU  99           H        LEU  99 -10.620  -1.618   4.931
  266    HA   LEU  99           HA       LEU  99  -8.891  -2.347   2.815
  267   1HB   LEU  99          1HB       LEU  99  -8.168  -1.809   5.698
  268   2HB   LEU  99          2HB       LEU  99  -7.094  -1.724   4.317
  269    HG   LEU  99           HG       LEU  99  -9.455   0.099   4.756
  270   1HD1  LEU  99          1HD1      LEU  99  -6.509   0.577   5.180
  271   2HD1  LEU  99          2HD1      LEU  99  -7.749   0.498   6.431
  272   3HD1  LEU  99          3HD1      LEU  99  -7.766   1.811   5.253
  273   1HD2  LEU  99          1HD2      LEU  99  -8.349   1.428   2.960
  274   2HD2  LEU  99          2HD2      LEU  99  -8.988  -0.121   2.418
  275   3HD2  LEU  99          3HD2      LEU  99  -7.257   0.070   2.692
  276    H    GLU 100           H        GLU 100  -9.813  -3.895   5.826
  277    HA   GLU 100           HA       GLU 100  -7.923  -5.964   5.851
  278   1HB   GLU 100          1HB       GLU 100 -10.546  -5.450   7.136
  279   2HB   GLU 100          2HB       GLU 100 -10.029  -7.129   7.075
  280   1HG   GLU 100          1HG       GLU 100  -8.416  -6.827   8.595
  281   2HG   GLU 100          2HG       GLU 100  -7.973  -5.243   7.966
  282    H    LEU 101           H        LEU 101 -11.041  -5.661   4.240
  283    HA   LEU 101           HA       LEU 101 -11.115  -8.367   3.332
  284   1HB   LEU 101          1HB       LEU 101 -12.628  -5.894   2.534
  285   2HB   LEU 101          2HB       LEU 101 -12.853  -7.424   1.709
  286    HG   LEU 101           HG       LEU 101 -13.529  -6.727   4.554
  287   1HD1  LEU 101          1HD1      LEU 101 -15.168  -6.239   2.784
  288   2HD1  LEU 101          2HD1      LEU 101 -15.739  -7.469   3.912
  289   3HD1  LEU 101          3HD1      LEU 101 -15.147  -7.938   2.318
  290   1HD2  LEU 101          1HD2      LEU 101 -12.480  -8.838   4.788
  291   2HD2  LEU 101          2HD2      LEU 101 -13.220  -9.452   3.312
  292   3HD2  LEU 101          3HD2      LEU 101 -14.213  -9.158   4.739
  293    H    ILE 102           H        ILE 102  -9.980  -5.314   1.973
  294    HA   ILE 102           HA       ILE 102  -9.499  -6.225  -0.648
  295    HB   ILE 102           HB       ILE 102  -7.987  -4.090   0.879
  296   1HG1  ILE 102          1HG1      ILE 102 -10.311  -3.802  -1.037
  297   2HG1  ILE 102          2HG1      ILE 102 -10.453  -3.729   0.717
  298   1HG2  ILE 102          1HG2      ILE 102  -6.734  -4.787  -1.060
  299   2HG2  ILE 102          2HG2      ILE 102  -7.448  -3.204  -1.370
  300   3HG2  ILE 102          3HG2      ILE 102  -8.166  -4.650  -2.080
  301   1HD1  ILE 102          1HD1      ILE 102 -10.433  -1.508  -0.257
  302   2HD1  ILE 102          2HD1      ILE 102  -8.871  -1.835  -1.007
  303   3HD1  ILE 102          3HD1      ILE 102  -9.009  -1.761   0.748
  304    H    PHE 103           H        PHE 103  -7.581  -6.339   2.289
  305    HA   PHE 103           HA       PHE 103  -5.141  -7.208   1.212
  306   1HB   PHE 103          1HB       PHE 103  -5.480  -6.365   3.535
  307   2HB   PHE 103          2HB       PHE 103  -6.309  -7.864   3.929
  308    HD1  PHE 103           HD1      PHE 103  -3.070  -6.342   3.120
  309    HD2  PHE 103           HD2      PHE 103  -5.094  -9.883   4.326
  310    HE1  PHE 103           HE1      PHE 103  -0.918  -7.358   3.740
  311    HE2  PHE 103           HE2      PHE 103  -2.946 -10.906   4.949
  312    HZ   PHE 103           HZ       PHE 103  -0.852  -9.641   4.658
  313    H    ALA 104           H        ALA 104  -8.080  -8.949   1.973
  314    HA   ALA 104           HA       ALA 104  -6.757 -11.513   1.446
  315   1HB   ALA 104          1HB       ALA 104  -9.538 -10.968   2.480
  316   2HB   ALA 104          2HB       ALA 104  -8.129 -11.338   3.474
  317   3HB   ALA 104          3HB       ALA 104  -8.760 -12.546   2.354
  318    H    GLY 105           H        GLY 105  -8.045  -9.199  -0.368
  319   1HA   GLY 105          1HA       GLY 105  -8.829  -9.159  -2.528
  320   2HA   GLY 105          2HA       GLY 105  -8.535 -10.890  -2.593
  321    H    GLY 106           H        GLY 106 -10.677  -9.092  -0.432
  322   1HA   GLY 106          1HA       GLY 106 -13.062  -8.879  -0.841
  323   2HA   GLY 106          2HA       GLY 106 -12.984 -10.389  -1.743
  324    H    ALA 107           H        ALA 107 -14.879 -10.585  -0.082
  325    HA   ALA 107           HA       ALA 107 -14.154 -11.232   2.609
  326   1HB   ALA 107          1HB       ALA 107 -16.368 -10.365   2.082
  327   2HB   ALA 107          2HB       ALA 107 -16.484 -11.957   2.831
  328   3HB   ALA 107          3HB       ALA 107 -16.701 -11.784   1.089
  329    HA   PRO 108           HA       PRO 108 -12.739 -15.340   1.468
  330   1HB   PRO 108          1HB       PRO 108 -12.344 -15.670   4.353
  331   2HB   PRO 108          2HB       PRO 108 -11.155 -15.720   3.051
  332   1HG   PRO 108          1HG       PRO 108 -11.262 -13.684   4.819
  333   2HG   PRO 108          2HG       PRO 108 -10.780 -13.447   3.129
  334   1HD   PRO 108          1HD       PRO 108 -13.407 -12.885   4.449
  335   2HD   PRO 108          2HD       PRO 108 -12.518 -11.925   3.246
  336   1H    MET   1          1H        MET   1  18.626   0.839   4.060
  337   2H    MET   1          2H        MET   1  19.479   0.228   5.386
  338   3H    MET   1          3H        MET   1  19.939   1.696   4.692
  339    HA   MET   1           HA       MET   1  18.763   2.042   6.757
  340   1HB   MET   1          1HB       MET   1  17.178   3.685   5.960
  341   2HB   MET   1          2HB       MET   1  18.584   3.703   4.907
  342   1HG   MET   1          1HG       MET   1  17.387   2.441   3.230
  343   2HG   MET   1          2HG       MET   1  15.991   2.301   4.298
  344   1HE   MET   1          1HE       MET   1  14.799   4.755   1.453
  345   2HE   MET   1          2HE       MET   1  14.491   3.225   2.274
  346   3HE   MET   1          3HE       MET   1  15.926   3.411   1.265
  347    H    GLN   2           H        GLN   2  16.912   1.767   8.014
  348    HA   GLN   2           HA       GLN   2  15.402  -0.637   7.355
  349   1HB   GLN   2          1HB       GLN   2  16.430  -0.547   9.557
  350   2HB   GLN   2          2HB       GLN   2  15.609   0.966   9.909
  351   1HG   GLN   2          1HG       GLN   2  13.453  -0.176   9.825
  352   2HG   GLN   2          2HG       GLN   2  14.274  -1.695   9.463
  353   1HE2  GLN   2          1HE2      GLN   2  13.643   0.713  11.892
  354   2HE2  GLN   2          2HE2      GLN   2  14.138  -0.235  13.249
  355    H    ILE   3           H        ILE   3  13.472  -0.496   6.451
  356    HA   ILE   3           HA       ILE   3  11.858   1.923   6.942
  357    HB   ILE   3           HB       ILE   3  10.693   1.422   4.811
  358   1HG1  ILE   3          1HG1      ILE   3  12.912  -0.557   4.275
  359   2HG1  ILE   3          2HG1      ILE   3  11.318  -1.039   4.847
  360   1HG2  ILE   3          1HG2      ILE   3  12.487   2.170   3.320
  361   2HG2  ILE   3          2HG2      ILE   3  13.676   1.767   4.558
  362   3HG2  ILE   3          3HG2      ILE   3  12.498   3.048   4.849
  363   1HD1  ILE   3          1HD1      ILE   3  11.911   0.407   2.276
  364   2HD1  ILE   3          2HD1      ILE   3  10.311  -0.067   2.846
  365   3HD1  ILE   3          3HD1      ILE   3  11.505  -1.301   2.445
  366    H    PHE   4           H        PHE   4   9.544   1.592   7.131
  367    HA   PHE   4           HA       PHE   4   8.924  -1.071   8.228
  368   1HB   PHE   4          1HB       PHE   4   7.717   1.629   8.860
  369   2HB   PHE   4          2HB       PHE   4   7.122   0.101   9.501
  370    HD1  PHE   4           HD1      PHE   4   9.415   2.787   9.937
  371    HD2  PHE   4           HD2      PHE   4   8.744  -1.305  10.894
  372    HE1  PHE   4           HE1      PHE   4  10.997   2.970  11.811
  373    HE2  PHE   4           HE2      PHE   4  10.324  -1.128  12.773
  374    HZ   PHE   4           HZ       PHE   4  11.452   1.014  13.233
  375    H    VAL   5           H        VAL   5   7.903  -2.236   6.735
  376    HA   VAL   5           HA       VAL   5   6.051  -0.916   4.898
  377    HB   VAL   5           HB       VAL   5   6.918  -3.811   4.927
  378   1HG1  VAL   5          1HG1      VAL   5   6.098  -3.846   2.631
  379   2HG1  VAL   5          2HG1      VAL   5   5.599  -2.161   2.777
  380   3HG1  VAL   5          3HG1      VAL   5   4.815  -3.399   3.756
  381   1HG2  VAL   5          1HG2      VAL   5   8.004  -1.518   3.294
  382   2HG2  VAL   5          2HG2      VAL   5   8.445  -3.216   3.110
  383   3HG2  VAL   5          3HG2      VAL   5   8.847  -2.358   4.597
  384    H    LYS   6           H        LYS   6   4.141  -0.574   5.869
  385    HA   LYS   6           HA       LYS   6   2.965  -2.732   7.483
  386   1HB   LYS   6          1HB       LYS   6   3.166  -0.643   8.683
  387   2HB   LYS   6          2HB       LYS   6   2.372   0.231   7.381
  388   1HG   LYS   6          1HG       LYS   6   0.310  -1.082   7.839
  389   2HG   LYS   6          2HG       LYS   6   1.130  -1.791   9.233
  390   1HD   LYS   6          2HD       LYS   6   1.357   0.362  10.271
  391   2HD   LYS   6          1HD       LYS   6   0.742   1.173   8.830
  392   1HE   LYS   6          2HE       LYS   6  -1.418   0.006   9.149
  393   2HE   LYS   6          1HE       LYS   6  -0.790  -0.692  10.639
  394   1HZ   LYS   6          1HZ       LYS   6  -0.544   1.530  11.543
  395   2HZ   LYS   6          2HZ       LYS   6  -2.144   1.266  11.062
  396   3HZ   LYS   6          3HZ       LYS   6  -1.119   2.209  10.105
  397    H    THR   7           H        THR   7   1.373  -3.888   6.635
  398    HA   THR   7           HA       THR   7   0.215  -3.139   4.101
  399    HB   THR   7           HB       THR   7  -0.874  -5.277   4.124
  400    HG1  THR   7           HG1      THR   7  -0.963  -6.552   5.976
  401   1HG2  THR   7          1HG2      THR   7   1.064  -6.810   4.634
  402   2HG2  THR   7          2HG2      THR   7   1.925  -5.391   5.233
  403   3HG2  THR   7          3HG2      THR   7   1.422  -5.473   3.544
  404    H    LEU   8           H        LEU   8  -2.296  -3.893   4.086
  405    HA   LEU   8           HA       LEU   8  -3.713  -1.775   5.289
  406   1HB   LEU   8          1HB       LEU   8  -4.724  -4.328   4.043
  407   2HB   LEU   8          2HB       LEU   8  -5.708  -2.929   4.408
  408    HG   LEU   8           HG       LEU   8  -3.416  -2.969   2.447
  409   1HD1  LEU   8          1HD1      LEU   8  -6.352  -2.764   1.842
  410   2HD1  LEU   8          2HD1      LEU   8  -5.470  -4.292   1.826
  411   3HD1  LEU   8          3HD1      LEU   8  -5.017  -3.000   0.715
  412   1HD2  LEU   8          1HD2      LEU   8  -5.405  -0.836   3.200
  413   2HD2  LEU   8          2HD2      LEU   8  -4.391  -0.776   1.759
  414   3HD2  LEU   8          3HD2      LEU   8  -3.651  -0.776   3.359
  415    H    THR   9           H        THR   9  -3.129  -5.081   6.281
  416    HA   THR   9           HA       THR   9  -5.161  -4.973   8.350
  417    HB   THR   9           HB       THR   9  -3.882  -7.253   8.909
  418    HG1  THR   9           HG1      THR   9  -3.108  -8.146   6.930
  419   1HG2  THR   9          1HG2      THR   9  -5.457  -8.391   7.416
  420   2HG2  THR   9          2HG2      THR   9  -5.758  -6.872   6.573
  421   3HG2  THR   9          3HG2      THR   9  -6.233  -7.053   8.262
  422    H    GLY  10           H        GLY  10  -2.147  -3.729   8.077
  423   1HA   GLY  10          1HA       GLY  10  -1.058  -2.593   9.838
  424   2HA   GLY  10          2HA       GLY  10  -1.818  -3.689  10.984
  425    H    LYS  11           H        LYS  11  -0.727  -5.542   8.496
  426    HA   LYS  11           HA       LYS  11   1.321  -6.754  10.019
  427   1HB   LYS  11          1HB       LYS  11  -0.112  -7.695   8.042
  428   2HB   LYS  11          2HB       LYS  11   1.153  -7.018   7.032
  429   1HG   LYS  11          1HG       LYS  11   2.812  -8.387   8.199
  430   2HG   LYS  11          2HG       LYS  11   1.531  -9.075   9.197
  431   1HD   LYS  11          2HD       LYS  11   0.433  -9.732   6.959
  432   2HD   LYS  11          1HD       LYS  11   2.024  -9.427   6.258
  433   1HE   LYS  11          2HE       LYS  11   1.521 -11.309   8.562
  434   2HE   LYS  11          1HE       LYS  11   1.601 -11.814   6.875
  435   1HZ   LYS  11          1HZ       LYS  11   3.806 -10.424   8.301
  436   2HZ   LYS  11          2HZ       LYS  11   3.872 -11.116   6.754
  437   3HZ   LYS  11          3HZ       LYS  11   3.702 -12.102   8.122
  438    H    THR  12           H        THR  12   3.121  -5.669  10.520
  439    HA   THR  12           HA       THR  12   4.353  -3.983   8.458
  440    HB   THR  12           HB       THR  12   5.024  -3.983  11.395
  441    HG1  THR  12           HG1      THR  12   2.705  -3.417  10.558
  442   1HG2  THR  12          1HG2      THR  12   5.814  -1.699  10.887
  443   2HG2  THR  12          2HG2      THR  12   5.413  -1.955   9.188
  444   3HG2  THR  12          3HG2      THR  12   6.673  -2.924   9.953
  445    H    ILE  13           H        ILE  13   5.874  -4.976   7.352
  446    HA   ILE  13           HA       ILE  13   7.526  -6.999   8.696
  447    HB   ILE  13           HB       ILE  13   8.077  -7.883   6.544
  448   1HG1  ILE  13          1HG1      ILE  13   6.444  -5.727   5.210
  449   2HG1  ILE  13          2HG1      ILE  13   8.179  -5.560   5.456
  450   1HG2  ILE  13          1HG2      ILE  13   5.868  -8.475   7.498
  451   2HG2  ILE  13          2HG2      ILE  13   5.918  -8.590   5.739
  452   3HG2  ILE  13          3HG2      ILE  13   5.138  -7.210   6.510
  453   1HD1  ILE  13          1HD1      ILE  13   7.910  -6.341   3.264
  454   2HD1  ILE  13          2HD1      ILE  13   6.723  -7.550   3.752
  455   3HD1  ILE  13          3HD1      ILE  13   8.416  -7.747   4.201
  456    H    THR  14           H        THR  14   9.794  -6.942   8.496
  457    HA   THR  14           HA       THR  14  10.863  -4.251   8.262
  458    HB   THR  14           HB       THR  14  12.914  -6.112   8.863
  459    HG1  THR  14           HG1      THR  14  11.244  -6.616  10.906
  460   1HG2  THR  14          1HG2      THR  14  12.907  -4.979  11.035
  461   2HG2  THR  14          2HG2      THR  14  11.327  -4.281  10.674
  462   3HG2  THR  14          3HG2      THR  14  12.736  -3.817   9.719
  463    H    LEU  15           H        LEU  15  12.403  -3.631   6.771
  464    HA   LEU  15           HA       LEU  15  13.395  -5.611   4.879
  465   1HB   LEU  15          1HB       LEU  15  11.165  -4.367   4.158
  466   2HB   LEU  15          2HB       LEU  15  12.292  -3.098   3.721
  467    HG   LEU  15           HG       LEU  15  13.511  -4.800   2.311
  468   1HD1  LEU  15          1HD1      LEU  15  11.046  -6.415   2.942
  469   2HD1  LEU  15          2HD1      LEU  15  12.718  -6.833   3.315
  470   3HD1  LEU  15          3HD1      LEU  15  12.176  -6.781   1.638
  471   1HD2  LEU  15          1HD2      LEU  15  12.084  -3.168   1.281
  472   2HD2  LEU  15          2HD2      LEU  15  10.648  -4.117   1.669
  473   3HD2  LEU  15          3HD2      LEU  15  11.818  -4.725   0.499
  474    H    GLU  16           H        GLU  16  15.438  -5.239   4.333
  475    HA   GLU  16           HA       GLU  16  16.661  -2.713   5.192
  476   1HB   GLU  16          1HB       GLU  16  18.261  -5.074   4.282
  477   2HB   GLU  16          2HB       GLU  16  18.660  -3.850   5.479
  478   1HG   GLU  16          1HG       GLU  16  16.685  -4.938   6.803
  479   2HG   GLU  16          2HG       GLU  16  17.027  -6.320   5.767
  480    H    VAL  17           H        VAL  17  16.360  -1.329   3.496
  481    HA   VAL  17           HA       VAL  17  17.430  -2.206   0.891
  482    HB   VAL  17           HB       VAL  17  15.879  -0.548  -0.160
  483   1HG1  VAL  17          1HG1      VAL  17  14.610  -2.781   1.419
  484   2HG1  VAL  17          2HG1      VAL  17  15.333  -2.907  -0.185
  485   3HG1  VAL  17          3HG1      VAL  17  13.866  -1.955   0.050
  486   1HG2  VAL  17          1HG2      VAL  17  14.622  -0.495   2.583
  487   2HG2  VAL  17          2HG2      VAL  17  13.961   0.247   1.126
  488   3HG2  VAL  17          3HG2      VAL  17  15.473   0.843   1.810
  489    H    GLU  18           H        GLU  18  18.255  -0.432  -0.469
  490    HA   GLU  18           HA       GLU  18  19.598   1.599   1.181
  491   1HB   GLU  18          1HB       GLU  18  20.355   0.524  -1.544
  492   2HB   GLU  18          2HB       GLU  18  21.279   1.690  -0.611
  493   1HG   GLU  18          1HG       GLU  18  20.694  -1.127   0.278
  494   2HG   GLU  18          2HG       GLU  18  22.181  -0.615  -0.518
  495    HA   PRO  19           HA       PRO  19  17.354   4.890  -0.730
  496   1HB   PRO  19          1HB       PRO  19  19.953   6.236  -1.247
  497   2HB   PRO  19          2HB       PRO  19  18.535   6.819  -0.370
  498   1HG   PRO  19          1HG       PRO  19  20.715   6.059   0.947
  499   2HG   PRO  19          2HG       PRO  19  19.098   5.678   1.570
  500   1HD   PRO  19          1HD       PRO  19  21.050   3.905   0.152
  501   2HD   PRO  19          2HD       PRO  19  19.986   3.540   1.526
  502    H    SER  20           H        SER  20  20.084   3.525  -2.432
  503    HA   SER  20           HA       SER  20  19.361   4.727  -4.959
  504   1HB   SER  20          1HB       SER  20  21.339   2.491  -4.678
  505   2HB   SER  20          2HB       SER  20  21.378   3.887  -5.757
  506    HG   SER  20           HG       SER  20  22.206   5.096  -4.203
  507    H    ASP  21           H        ASP  21  18.086   2.217  -3.231
  508    HA   ASP  21           HA       ASP  21  17.782   0.313  -5.374
  509   1HB   ASP  21          1HB       ASP  21  16.930   0.482  -2.529
  510   2HB   ASP  21          2HB       ASP  21  15.952  -0.520  -3.597
  511    H    THR  22           H        THR  22  15.929  -0.131  -6.533
  512    HA   THR  22           HA       THR  22  14.060   2.099  -6.761
  513    HB   THR  22           HB       THR  22  13.239   0.870  -8.789
  514    HG1  THR  22           HG1      THR  22  15.542  -0.755  -8.587
  515   1HG2  THR  22          1HG2      THR  22  15.238   1.316 -10.172
  516   2HG2  THR  22          2HG2      THR  22  16.200   1.474  -8.702
  517   3HG2  THR  22          3HG2      THR  22  14.908   2.626  -9.038
  518    H    ILE  23           H        ILE  23  11.752   1.676  -6.888
  519    HA   ILE  23           HA       ILE  23  10.798   0.111  -4.759
  520    HB   ILE  23           HB       ILE  23   9.189   1.056  -7.136
  521   1HG1  ILE  23          1HG1      ILE  23  10.481   2.918  -6.208
  522   2HG1  ILE  23          2HG1      ILE  23   8.771   3.106  -5.839
  523   1HG2  ILE  23          1HG2      ILE  23   8.330   0.613  -4.283
  524   2HG2  ILE  23          2HG2      ILE  23   8.100  -0.557  -5.583
  525   3HG2  ILE  23          3HG2      ILE  23   7.303   1.015  -5.658
  526   1HD1  ILE  23          1HD1      ILE  23   9.996   3.717  -3.905
  527   2HD1  ILE  23          2HD1      ILE  23  10.973   2.251  -3.979
  528   3HD1  ILE  23          3HD1      ILE  23   9.259   2.149  -3.574
  529    H    GLU  24           H        GLU  24  11.344  -0.576  -8.118
  530    HA   GLU  24           HA       GLU  24   9.835  -2.915  -8.427
  531   1HB   GLU  24          1HB       GLU  24  10.937  -1.649 -10.263
  532   2HB   GLU  24          2HB       GLU  24  12.496  -2.223  -9.691
  533   1HG   GLU  24          1HG       GLU  24  11.753  -4.540 -10.122
  534   2HG   GLU  24          2HG       GLU  24  10.255  -3.897 -10.795
  535    H    ASN  25           H        ASN  25  13.119  -2.375  -7.211
  536    HA   ASN  25           HA       ASN  25  13.670  -5.161  -6.831
  537   1HB   ASN  25          1HB       ASN  25  15.402  -3.294  -7.130
  538   2HB   ASN  25          2HB       ASN  25  15.107  -2.905  -5.437
  539   1HD2  ASN  25          1HD2      ASN  25  17.188  -3.449  -4.806
  540   2HD2  ASN  25          2HD2      ASN  25  17.733  -5.095  -4.749
  541    H    VAL  26           H        VAL  26  12.375  -2.557  -4.896
  542    HA   VAL  26           HA       VAL  26  12.501  -3.747  -2.358
  543    HB   VAL  26           HB       VAL  26  10.440  -1.821  -3.471
  544   1HG1  VAL  26          1HG1      VAL  26   9.859  -1.300  -1.174
  545   2HG1  VAL  26          2HG1      VAL  26  11.022  -2.490  -0.585
  546   3HG1  VAL  26          3HG1      VAL  26   9.601  -3.016  -1.489
  547   1HG2  VAL  26          1HG2      VAL  26  11.746  -0.107  -2.314
  548   2HG2  VAL  26          2HG2      VAL  26  12.721  -0.956  -3.513
  549   3HG2  VAL  26          3HG2      VAL  26  12.905  -1.332  -1.801
  550    H    LYS  27           H        LYS  27  10.050  -3.876  -4.899
  551    HA   LYS  27           HA       LYS  27   8.153  -5.440  -3.565
  552   1HB   LYS  27          1HB       LYS  27   8.811  -5.148  -6.493
  553   2HB   LYS  27          2HB       LYS  27   7.460  -6.111  -5.918
  554   1HG   LYS  27          1HG       LYS  27   6.461  -4.140  -4.907
  555   2HG   LYS  27          2HG       LYS  27   7.833  -3.163  -5.436
  556   1HD   LYS  27          2HD       LYS  27   7.280  -3.457  -7.722
  557   2HD   LYS  27          1HD       LYS  27   6.122  -4.733  -7.349
  558   1HE   LYS  27          2HE       LYS  27   4.748  -3.056  -6.141
  559   2HE   LYS  27          1HE       LYS  27   5.870  -1.805  -6.679
  560   1HZ   LYS  27          1HZ       LYS  27   3.781  -2.166  -8.051
  561   2HZ   LYS  27          2HZ       LYS  27   4.501  -3.591  -8.599
  562   3HZ   LYS  27          3HZ       LYS  27   5.249  -2.096  -8.898
  563    H    ALA  28           H        ALA  28  10.992  -6.323  -5.450
  564    HA   ALA  28           HA       ALA  28  10.513  -9.093  -5.602
  565   1HB   ALA  28          1HB       ALA  28  12.857  -9.286  -6.201
  566   2HB   ALA  28          2HB       ALA  28  13.158  -7.649  -5.618
  567   3HB   ALA  28          3HB       ALA  28  12.126  -7.908  -7.024
  568    H    LYS  29           H        LYS  29  12.132  -7.099  -3.186
  569    HA   LYS  29           HA       LYS  29  13.151  -9.263  -1.651
  570   1HB   LYS  29          1HB       LYS  29  12.589  -6.389  -0.909
  571   2HB   LYS  29          2HB       LYS  29  13.411  -7.533   0.141
  572   1HG   LYS  29          1HG       LYS  29  15.216  -7.757  -1.450
  573   2HG   LYS  29          2HG       LYS  29  14.369  -6.706  -2.589
  574   1HD   LYS  29          2HD       LYS  29  14.512  -4.857  -1.007
  575   2HD   LYS  29          1HD       LYS  29  15.327  -5.904   0.157
  576   1HE   LYS  29          2HE       LYS  29  16.401  -5.339  -2.599
  577   2HE   LYS  29          1HE       LYS  29  16.819  -4.377  -1.181
  578   1HZ   LYS  29          1HZ       LYS  29  17.396  -7.246  -1.656
  579   2HZ   LYS  29          2HZ       LYS  29  17.582  -6.506  -0.147
  580   3HZ   LYS  29          3HZ       LYS  29  18.508  -5.986  -1.460
  581    H    ILE  30           H        ILE  30  10.220  -7.285  -1.427
  582    HA   ILE  30           HA       ILE  30   9.219  -8.444   0.945
  583    HB   ILE  30           HB       ILE  30   7.717  -7.116  -1.318
  584   1HG1  ILE  30          1HG1      ILE  30   8.670  -6.002   1.331
  585   2HG1  ILE  30          2HG1      ILE  30   9.451  -5.713  -0.219
  586   1HG2  ILE  30          1HG2      ILE  30   6.837  -7.776   1.490
  587   2HG2  ILE  30          2HG2      ILE  30   6.188  -8.447  -0.007
  588   3HG2  ILE  30          3HG2      ILE  30   5.945  -6.741   0.375
  589   1HD1  ILE  30          1HD1      ILE  30   6.667  -4.876   0.544
  590   2HD1  ILE  30          2HD1      ILE  30   7.435  -4.593  -1.019
  591   3HD1  ILE  30          3HD1      ILE  30   8.082  -3.830   0.434
  592    H    GLN  31           H        GLN  31   8.729  -9.194  -2.472
  593    HA   GLN  31           HA       GLN  31   6.784 -11.203  -2.134
  594   1HB   GLN  31          1HB       GLN  31   7.168 -10.170  -4.288
  595   2HB   GLN  31          2HB       GLN  31   8.817 -10.775  -4.326
  596   1HG   GLN  31          1HG       GLN  31   7.572 -13.099  -4.096
  597   2HG   GLN  31          2HG       GLN  31   6.262 -12.182  -4.840
  598   1HE2  GLN  31          1HE2      GLN  31   6.388 -13.397  -6.728
  599   2HE2  GLN  31          2HE2      GLN  31   7.675 -13.199  -7.865
  600    H    ASP  32           H        ASP  32  10.278 -11.263  -2.044
  601    HA   ASP  32           HA       ASP  32  10.670 -14.039  -2.219
  602   1HB   ASP  32          1HB       ASP  32  12.512 -12.530  -2.567
  603   2HB   ASP  32          2HB       ASP  32  12.334 -11.862  -0.950
  604    H    LYS  33           H        LYS  33  10.080 -11.949   0.589
  605    HA   LYS  33           HA       LYS  33  10.325 -14.292   2.318
  606   1HB   LYS  33          1HB       LYS  33  10.261 -12.692   4.196
  607   2HB   LYS  33          2HB       LYS  33  11.574 -12.392   3.067
  608   1HG   LYS  33          1HG       LYS  33  10.467 -10.501   2.154
  609   2HG   LYS  33          2HG       LYS  33   8.966 -10.893   2.996
  610   1HD   LYS  33          2HD       LYS  33  10.001  -9.117   4.196
  611   2HD   LYS  33          1HD       LYS  33  10.214 -10.580   5.157
  612   1HE   LYS  33          2HE       LYS  33  12.493 -10.805   4.129
  613   2HE   LYS  33          1HE       LYS  33  12.252  -9.215   3.407
  614   1HZ   LYS  33          1HZ       LYS  33  13.483  -9.009   5.438
  615   2HZ   LYS  33          2HZ       LYS  33  12.303  -9.846   6.307
  616   3HZ   LYS  33          3HZ       LYS  33  11.956  -8.318   5.667
  617    H    GLU  34           H        GLU  34   7.875 -11.865   1.434
  618    HA   GLU  34           HA       GLU  34   5.979 -13.126   3.252
  619   1HB   GLU  34          1HB       GLU  34   5.808 -10.679   1.508
  620   2HB   GLU  34          2HB       GLU  34   4.434 -11.309   2.408
  621   1HG   GLU  34          1HG       GLU  34   7.035 -10.323   3.556
  622   2HG   GLU  34          2HG       GLU  34   5.469  -9.522   3.643
  623    H    GLY  35           H        GLY  35   6.718 -13.119  -0.132
  624   1HA   GLY  35          1HA       GLY  35   5.939 -14.633  -1.712
  625   2HA   GLY  35          2HA       GLY  35   4.740 -15.187  -0.557
  626    H    ILE  36           H        ILE  36   4.771 -11.826  -0.880
  627    HA   ILE  36           HA       ILE  36   2.211 -11.881  -2.222
  628    HB   ILE  36           HB       ILE  36   3.803  -9.489  -1.285
  629   1HG1  ILE  36          1HG1      ILE  36   1.500 -10.783   0.172
  630   2HG1  ILE  36          2HG1      ILE  36   3.174 -11.233   0.485
  631   1HG2  ILE  36          1HG2      ILE  36   0.866  -9.763  -1.924
  632   2HG2  ILE  36          2HG2      ILE  36   2.071  -8.969  -2.936
  633   3HG2  ILE  36          3HG2      ILE  36   1.679  -8.306  -1.351
  634   1HD1  ILE  36          1HD1      ILE  36   2.123  -8.430   0.724
  635   2HD1  ILE  36          2HD1      ILE  36   3.695  -9.035   1.241
  636   3HD1  ILE  36          3HD1      ILE  36   2.231  -9.564   2.069
  637    HA   PRO  37           HA       PRO  37   4.062 -11.462  -6.298
  638   1HB   PRO  37          1HB       PRO  37   1.312 -10.490  -6.897
  639   2HB   PRO  37          2HB       PRO  37   2.273 -11.725  -7.718
  640   1HG   PRO  37          1HG       PRO  37   0.261 -12.421  -6.126
  641   2HG   PRO  37          2HG       PRO  37   1.769 -13.354  -6.143
  642   1HD   PRO  37          1HD       PRO  37   0.781 -11.380  -4.130
  643   2HD   PRO  37          2HD       PRO  37   1.684 -12.889  -3.885
  644    HA   PRO  38           HA       PRO  38   5.284  -7.169  -6.115
  645   1HB   PRO  38          1HB       PRO  38   5.742  -7.691  -9.016
  646   2HB   PRO  38          2HB       PRO  38   6.815  -6.952  -7.822
  647   1HG   PRO  38          1HG       PRO  38   7.203  -9.457  -8.607
  648   2HG   PRO  38          2HG       PRO  38   7.420  -8.998  -6.908
  649   1HD   PRO  38          1HD       PRO  38   5.187 -10.495  -8.197
  650   2HD   PRO  38          2HD       PRO  38   5.890 -10.684  -6.579
  651    H    ASP  39           H        ASP  39   3.202  -8.343  -8.744
  652    HA   ASP  39           HA       ASP  39   2.321  -5.793  -9.607
  653   1HB   ASP  39          1HB       ASP  39   2.017  -7.627 -11.089
  654   2HB   ASP  39          2HB       ASP  39   1.143  -8.558  -9.878
  655    H    GLN  40           H        GLN  40   1.276  -7.925  -7.062
  656    HA   GLN  40           HA       GLN  40  -1.169  -6.452  -6.563
  657   1HB   GLN  40          1HB       GLN  40   0.166  -8.739  -5.112
  658   2HB   GLN  40          2HB       GLN  40  -1.339  -7.996  -4.583
  659   1HG   GLN  40          1HG       GLN  40  -2.391  -8.631  -6.694
  660   2HG   GLN  40          2HG       GLN  40  -0.881  -9.377  -7.218
  661   1HE2  GLN  40          1HE2      GLN  40  -2.003  -9.519  -3.926
  662   2HE2  GLN  40          2HE2      GLN  40  -2.373 -11.208  -3.912
  663    H    GLN  41           H        GLN  41   2.083  -6.172  -5.759
  664    HA   GLN  41           HA       GLN  41   1.737  -5.035  -3.144
  665   1HB   GLN  41          1HB       GLN  41   4.107  -5.100  -5.009
  666   2HB   GLN  41          2HB       GLN  41   4.151  -4.420  -3.390
  667   1HG   GLN  41          1HG       GLN  41   3.509  -6.645  -2.499
  668   2HG   GLN  41          2HG       GLN  41   3.641  -7.289  -4.137
  669   1HE2  GLN  41          1HE2      GLN  41   5.333  -8.657  -3.728
  670   2HE2  GLN  41          2HE2      GLN  41   6.928  -8.092  -3.354
  671    H    ARG  42           H        ARG  42   0.293  -3.346  -3.438
  672    HA   ARG  42           HA       ARG  42   1.107  -1.152  -5.184
  673   1HB   ARG  42          1HB       ARG  42  -1.251  -2.031  -5.160
  674   2HB   ARG  42          2HB       ARG  42  -1.400  -1.425  -3.520
  675   1HG   ARG  42          1HG       ARG  42  -0.933   0.853  -4.376
  676   2HG   ARG  42          2HG       ARG  42  -0.946   0.193  -6.014
  677   1HD   ARG  42          1HD       ARG  42  -3.248  -0.563  -5.694
  678   2HD   ARG  42          2HD       ARG  42  -3.234   0.067  -4.047
  679    HE   ARG  42           HE       ARG  42  -3.508   1.571  -6.505
  680   1HH1  ARG  42          1HH1      ARG  42  -2.844   1.685  -3.069
  681   2HH1  ARG  42          2HH1      ARG  42  -3.149   3.389  -2.934
  682   1HH2  ARG  42          1HH2      ARG  42  -3.957   3.780  -6.335
  683   2HH2  ARG  42          2HH2      ARG  42  -3.768   4.586  -4.813
  684    H    LEU  43           H        LEU  43   2.984  -0.840  -3.776
  685    HA   LEU  43           HA       LEU  43   2.668   0.097  -1.102
  686   1HB   LEU  43          1HB       LEU  43   4.983   0.286  -3.026
  687   2HB   LEU  43          2HB       LEU  43   5.058   0.770  -1.342
  688    HG   LEU  43           HG       LEU  43   4.078  -1.938  -1.582
  689   1HD1  LEU  43          1HD1      LEU  43   6.153  -2.958  -2.379
  690   2HD1  LEU  43          2HD1      LEU  43   6.789  -1.359  -2.766
  691   3HD1  LEU  43          3HD1      LEU  43   5.388  -1.986  -3.635
  692   1HD2  LEU  43          1HD2      LEU  43   4.968  -0.914   0.455
  693   2HD2  LEU  43          2HD2      LEU  43   6.546  -0.762  -0.316
  694   3HD2  LEU  43          3HD2      LEU  43   5.873  -2.360   0.004
  695    H    ILE  44           H        ILE  44   2.055   2.033  -0.445
  696    HA   ILE  44           HA       ILE  44   2.461   4.327  -2.254
  697    HB   ILE  44           HB       ILE  44   0.116   4.101  -0.375
  698   1HG1  ILE  44          1HG1      ILE  44   0.076   2.252  -2.072
  699   2HG1  ILE  44          2HG1      ILE  44  -1.277   3.370  -2.196
  700   1HG2  ILE  44          1HG2      ILE  44   0.761   5.883  -2.716
  701   2HG2  ILE  44          2HG2      ILE  44   0.594   6.344  -1.023
  702   3HG2  ILE  44          3HG2      ILE  44  -0.819   5.818  -1.937
  703   1HD1  ILE  44          1HD1      ILE  44   1.138   3.203  -3.970
  704   2HD1  ILE  44          2HD1      ILE  44  -0.028   4.524  -4.028
  705   3HD1  ILE  44          3HD1      ILE  44  -0.544   2.878  -4.392
  706    H    PHE  45           H        PHE  45   3.115   6.233  -1.337
  707    HA   PHE  45           HA       PHE  45   3.737   6.133   1.541
  708   1HB   PHE  45          1HB       PHE  45   5.741   6.105   0.086
  709   2HB   PHE  45          2HB       PHE  45   5.218   7.621  -0.641
  710    HD1  PHE  45           HD1      PHE  45   5.443   6.426   2.892
  711    HD2  PHE  45           HD2      PHE  45   6.617   9.320   0.000
  712    HE1  PHE  45           HE1      PHE  45   6.663   7.664   4.631
  713    HE2  PHE  45           HE2      PHE  45   7.834  10.565   1.734
  714    HZ   PHE  45           HZ       PHE  45   7.862   9.737   4.056
  715    H    ALA  46           H        ALA  46   1.839   7.074   2.213
  716    HA   ALA  46           HA       ALA  46   0.356   8.702   2.748
  717   1HB   ALA  46          1HB       ALA  46   2.701  10.511   2.181
  718   2HB   ALA  46          2HB       ALA  46   2.384   9.675   3.702
  719   3HB   ALA  46          3HB       ALA  46   1.274  10.922   3.133
  720    H    GLY  47           H        GLY  47  -0.058   7.854   0.187
  721   1HA   GLY  47          1HA       GLY  47  -1.674   8.721  -1.340
  722   2HA   GLY  47          2HA       GLY  47  -1.045  10.331  -1.039
  723    H    LYS  48           H        LYS  48   1.763   9.289  -1.350
  724    HA   LYS  48           HA       LYS  48   1.851   9.606  -4.231
  725   1HB   LYS  48          1HB       LYS  48   3.920   9.561  -2.055
  726   2HB   LYS  48          2HB       LYS  48   4.399   9.407  -3.741
  727   1HG   LYS  48          1HG       LYS  48   3.185  11.557  -4.180
  728   2HG   LYS  48          2HG       LYS  48   2.981  11.718  -2.435
  729   1HD   LYS  48          2HD       LYS  48   5.688  11.310  -3.670
  730   2HD   LYS  48          1HD       LYS  48   4.969  12.914  -3.540
  731   1HE   LYS  48          2HE       LYS  48   5.162  11.124  -1.147
  732   2HE   LYS  48          1HE       LYS  48   6.548  12.086  -1.665
  733   1HZ   LYS  48          1HZ       LYS  48   3.875  13.261  -1.148
  734   2HZ   LYS  48          2HZ       LYS  48   5.349  14.070  -1.331
  735   3HZ   LYS  48          3HZ       LYS  48   5.067  13.131   0.045
  736    H    GLN  49           H        GLN  49   1.632   7.903  -5.503
  737    HA   GLN  49           HA       GLN  49   1.998   5.224  -4.568
  738   1HB   GLN  49          1HB       GLN  49   0.298   5.786  -6.250
  739   2HB   GLN  49          2HB       GLN  49   1.559   6.269  -7.372
  740   1HG   GLN  49          1HG       GLN  49   2.304   4.064  -7.660
  741   2HG   GLN  49          2HG       GLN  49   1.425   3.494  -6.244
  742   1HE2  GLN  49          1HE2      GLN  49  -0.993   4.956  -6.907
  743   2HE2  GLN  49          2HE2      GLN  49  -1.719   4.112  -8.232
  744    H    LEU  50           H        LEU  50   3.781   4.035  -4.588
  745    HA   LEU  50           HA       LEU  50   6.230   5.172  -5.569
  746   1HB   LEU  50          1HB       LEU  50   5.781   2.423  -4.411
  747   2HB   LEU  50          2HB       LEU  50   7.308   3.267  -4.553
  748    HG   LEU  50           HG       LEU  50   5.021   4.007  -2.731
  749   1HD1  LEU  50          1HD1      LEU  50   7.793   3.267  -1.894
  750   2HD1  LEU  50          2HD1      LEU  50   6.591   2.021  -2.226
  751   3HD1  LEU  50          3HD1      LEU  50   6.293   3.221  -0.968
  752   1HD2  LEU  50          1HD2      LEU  50   6.041   6.037  -3.464
  753   2HD2  LEU  50          2HD2      LEU  50   7.657   5.370  -3.239
  754   3HD2  LEU  50          3HD2      LEU  50   6.634   5.690  -1.840
  755    H    GLU  51           H        GLU  51   6.694   5.108  -7.633
  756    HA   GLU  51           HA       GLU  51   5.671   3.093  -9.411
  757   1HB   GLU  51          1HB       GLU  51   5.877   5.351 -10.210
  758   2HB   GLU  51          2HB       GLU  51   7.576   5.408  -9.779
  759   1HG   GLU  51          1HG       GLU  51   7.946   3.592 -11.488
  760   2HG   GLU  51          2HG       GLU  51   6.282   3.865 -12.008
  761    H    ASP  52           H        ASP  52   6.716   1.385 -10.277
  762    HA   ASP  52           HA       ASP  52   8.737   0.069  -8.949
  763   1HB   ASP  52          1HB       ASP  52   7.722  -0.141 -11.768
  764   2HB   ASP  52          2HB       ASP  52   9.037  -1.164 -11.206
  765    H    GLY  53           H        GLY  53   9.053   2.132 -11.824
  766   1HA   GLY  53          1HA       GLY  53  11.903   1.717 -11.981
  767   2HA   GLY  53          2HA       GLY  53  10.945   2.781 -12.990
  768    H    ARG  54           H        ARG  54  10.330   3.370  -9.736
  769    HA   ARG  54           HA       ARG  54  12.107   5.703  -9.836
  770   1HB   ARG  54          1HB       ARG  54   9.546   5.151  -8.360
  771   2HB   ARG  54          2HB       ARG  54  10.618   6.449  -7.858
  772   1HG   ARG  54          1HG       ARG  54   9.217   6.165 -10.500
  773   2HG   ARG  54          2HG       ARG  54   8.901   7.357  -9.237
  774   1HD   ARG  54          1HD       ARG  54  10.260   8.691 -10.399
  775   2HD   ARG  54          2HD       ARG  54  11.571   7.709  -9.747
  776    HE   ARG  54           HE       ARG  54  10.430   6.625 -12.149
  777   1HH1  ARG  54          1HH1      ARG  54  12.770   8.898 -10.869
  778   2HH1  ARG  54          2HH1      ARG  54  13.741   8.905 -12.304
  779   1HH2  ARG  54          1HH2      ARG  54  11.714   6.620 -14.034
  780   2HH2  ARG  54          2HH2      ARG  54  13.148   7.595 -14.104
  781    H    THR  55           H        THR  55  13.236   6.333  -7.931
  782    HA   THR  55           HA       THR  55  14.114   4.006  -6.376
  783    HB   THR  55           HB       THR  55  15.994   5.530  -5.665
  784    HG1  THR  55           HG1      THR  55  14.759   7.221  -7.614
  785   1HG2  THR  55          1HG2      THR  55  17.197   5.388  -7.806
  786   2HG2  THR  55          2HG2      THR  55  15.673   5.058  -8.632
  787   3HG2  THR  55          3HG2      THR  55  16.306   3.905  -7.457
  788    H    LEU  56           H        LEU  56  14.584   4.371  -4.051
  789    HA   LEU  56           HA       LEU  56  12.311   5.405  -2.727
  790   1HB   LEU  56          1HB       LEU  56  15.018   4.577  -1.690
  791   2HB   LEU  56          2HB       LEU  56  13.675   5.016  -0.652
  792    HG   LEU  56           HG       LEU  56  13.038   2.936  -2.629
  793   1HD1  LEU  56          1HD1      LEU  56  14.944   2.329  -0.376
  794   2HD1  LEU  56          2HD1      LEU  56  15.361   2.338  -2.090
  795   3HD1  LEU  56          3HD1      LEU  56  14.204   1.161  -1.469
  796   1HD2  LEU  56          1HD2      LEU  56  11.529   3.665  -0.821
  797   2HD2  LEU  56          2HD2      LEU  56  12.702   3.089   0.363
  798   3HD2  LEU  56          3HD2      LEU  56  11.917   1.948  -0.729
  799    H    SER  57           H        SER  57  15.297   6.808  -3.703
  800    HA   SER  57           HA       SER  57  15.175   9.054  -1.913
  801   1HB   SER  57          1HB       SER  57  16.920   9.818  -3.841
  802   2HB   SER  57          2HB       SER  57  17.367   8.779  -2.487
  803    HG   SER  57           HG       SER  57  17.590   7.152  -3.814
  804    H    ASP  58           H        ASP  58  13.711   8.188  -4.862
  805    HA   ASP  58           HA       ASP  58  13.426  10.750  -6.048
  806   1HB   ASP  58          1HB       ASP  58  12.166   8.079  -6.438
  807   2HB   ASP  58          2HB       ASP  58  11.321   9.480  -7.086
  808    H    TYR  59           H        TYR  59  11.558   8.969  -3.683
  809    HA   TYR  59           HA       TYR  59   9.556  11.113  -3.625
  810   1HB   TYR  59          1HB       TYR  59   9.527   8.404  -2.278
  811   2HB   TYR  59          2HB       TYR  59   8.207   9.569  -2.283
  812    HD1  TYR  59           HD1      TYR  59   9.831   6.896  -4.064
  813    HD2  TYR  59           HD2      TYR  59   7.076  10.111  -4.471
  814    HE1  TYR  59           HE1      TYR  59   8.978   5.896  -6.141
  815    HE2  TYR  59           HE2      TYR  59   6.214   9.120  -6.549
  816    HH   TYR  59           HH       TYR  59   6.844   7.598  -8.254
  817    H    ASN  60           H        ASN  60  12.414  10.857  -2.378
  818    HA   ASN  60           HA       ASN  60  13.506  11.550  -0.511
  819   1HB   ASN  60          1HB       ASN  60  12.068  13.573  -1.101
  820   2HB   ASN  60          2HB       ASN  60  10.979  13.055   0.180
  821   1HD2  ASN  60          1HD2      ASN  60  14.340  13.930  -0.462
  822   2HD2  ASN  60          2HD2      ASN  60  14.640  14.613   1.097
  823    H    ILE  61           H        ILE  61  12.497   9.062  -0.223
  824    HA   ILE  61           HA       ILE  61  11.048   8.892   2.284
  825    HB   ILE  61           HB       ILE  61  12.193   6.667   0.589
  826   1HG1  ILE  61          1HG1      ILE  61   9.330   7.632   0.735
  827   2HG1  ILE  61          2HG1      ILE  61  10.454   8.101  -0.534
  828   1HG2  ILE  61          1HG2      ILE  61  11.826   5.998   2.897
  829   2HG2  ILE  61          2HG2      ILE  61  10.636   5.237   1.839
  830   3HG2  ILE  61          3HG2      ILE  61  10.176   6.620   2.832
  831   1HD1  ILE  61          1HD1      ILE  61   9.545   5.298   0.067
  832   2HD1  ILE  61          2HD1      ILE  61  10.661   5.768  -1.213
  833   3HD1  ILE  61          3HD1      ILE  61   8.984   6.311  -1.263
  834    H    GLN  62           H        GLN  62  12.180   9.266   4.065
  835    HA   GLN  62           HA       GLN  62  15.000   8.653   4.227
  836   1HB   GLN  62          1HB       GLN  62  13.051   9.892   6.170
  837   2HB   GLN  62          2HB       GLN  62  14.744   9.610   6.552
  838   1HG   GLN  62          1HG       GLN  62  15.438  11.116   4.814
  839   2HG   GLN  62          2HG       GLN  62  13.774  11.307   4.266
  840   1HE2  GLN  62          1HE2      GLN  62  14.523  11.120   7.651
  841   2HE2  GLN  62          2HE2      GLN  62  14.225  12.786   8.015
  842    H    LYS  63           H        LYS  63  15.468   7.860   6.717
  843    HA   LYS  63           HA       LYS  63  14.724   5.097   6.670
  844   1HB   LYS  63          1HB       LYS  63  16.140   4.906   8.658
  845   2HB   LYS  63          2HB       LYS  63  16.956   5.814   7.393
  846   1HG   LYS  63          1HG       LYS  63  16.216   7.910   8.565
  847   2HG   LYS  63          2HG       LYS  63  15.681   6.883   9.896
  848   1HD   LYS  63          2HD       LYS  63  18.029   5.954   9.957
  849   2HD   LYS  63          1HD       LYS  63  18.478   7.249   8.847
  850   1HE   LYS  63          2HE       LYS  63  18.991   8.142  10.926
  851   2HE   LYS  63          1HE       LYS  63  17.396   8.811  10.588
  852   1HZ   LYS  63          1HZ       LYS  63  17.467   8.018  12.827
  853   2HZ   LYS  63          2HZ       LYS  63  18.002   6.494  12.336
  854   3HZ   LYS  63          3HZ       LYS  63  16.436   7.005  11.942
  855    H    GLU  64           H        GLU  64  13.735   3.964   8.446
  856    HA   GLU  64           HA       GLU  64  12.092   3.545   9.933
  857   1HB   GLU  64          1HB       GLU  64  12.775   6.349  10.784
  858   2HB   GLU  64          2HB       GLU  64  11.543   5.396  11.599
  859   1HG   GLU  64          1HG       GLU  64  13.151   4.592  12.881
  860   2HG   GLU  64          2HG       GLU  64  13.739   3.712  11.475
  861    H    SER  65           H        SER  65  11.551   5.087   7.279
  862    HA   SER  65           HA       SER  65   9.037   6.374   7.831
  863   1HB   SER  65          1HB       SER  65  10.201   5.569   5.155
  864   2HB   SER  65          2HB       SER  65   8.890   6.716   5.430
  865    HG   SER  65           HG       SER  65  11.604   7.064   5.614
  866    H    THR  66           H        THR  66   6.990   5.623   7.345
  867    HA   THR  66           HA       THR  66   6.774   2.712   7.131
  868    HB   THR  66           HB       THR  66   4.490   4.576   7.739
  869    HG1  THR  66           HG1      THR  66   6.700   4.034   9.282
  870   1HG2  THR  66          1HG2      THR  66   3.575   2.642   8.872
  871   2HG2  THR  66          2HG2      THR  66   5.059   1.732   8.584
  872   3HG2  THR  66          3HG2      THR  66   4.029   2.193   7.228
  873    H    LEU  67           H        LEU  67   6.235   1.834   5.272
  874    HA   LEU  67           HA       LEU  67   4.929   3.491   3.222
  875   1HB   LEU  67          1HB       LEU  67   6.374   0.851   2.918
  876   2HB   LEU  67          2HB       LEU  67   5.704   1.807   1.613
  877    HG   LEU  67           HG       LEU  67   8.011   2.626   3.381
  878   1HD1  LEU  67          1HD1      LEU  67   9.382   2.304   1.413
  879   2HD1  LEU  67          2HD1      LEU  67   7.971   1.804   0.482
  880   3HD1  LEU  67          3HD1      LEU  67   8.543   0.805   1.818
  881   1HD2  LEU  67          1HD2      LEU  67   6.760   3.988   1.000
  882   2HD2  LEU  67          2HD2      LEU  67   8.264   4.476   1.778
  883   3HD2  LEU  67          3HD2      LEU  67   6.747   4.559   2.668
  884    H    HIS  68           H        HIS  68   2.918   2.959   2.512
  885    HA   HIS  68           HA       HIS  68   1.531   0.889   4.004
  886   1HB   HIS  68          1HB       HIS  68   0.665   3.140   2.225
  887   2HB   HIS  68          2HB       HIS  68  -0.446   1.814   2.556
  888    HD1  HIS  68           HD1      HIS  68  -0.988   4.725   3.526
  889    HD2  HIS  68           HD2      HIS  68   0.767   1.730   5.819
  890    HE1  HIS  68           HE1      HIS  68  -1.396   5.373   5.922
  891    HE2  HIS  68           HE2      HIS  68  -0.415   3.499   7.288
  892    H    LEU  69           H        LEU  69   1.719  -1.099   3.298
  893    HA   LEU  69           HA       LEU  69   2.032  -1.648   0.459
  894   1HB   LEU  69          1HB       LEU  69   3.466  -2.836   2.027
  895   2HB   LEU  69          2HB       LEU  69   2.066  -3.472   2.867
  896    HG   LEU  69           HG       LEU  69   1.483  -4.854   0.968
  897   1HD1  LEU  69          1HD1      LEU  69   3.880  -3.665  -0.421
  898   2HD1  LEU  69          2HD1      LEU  69   2.194  -3.325  -0.816
  899   3HD1  LEU  69          3HD1      LEU  69   2.843  -4.949  -1.042
  900   1HD2  LEU  69          1HD2      LEU  69   3.378  -6.364   0.958
  901   2HD2  LEU  69          2HD2      LEU  69   3.128  -5.714   2.579
  902   3HD2  LEU  69          3HD2      LEU  69   4.427  -5.084   1.566
  903    H    VAL  70           H        VAL  70   0.022  -1.071  -0.317
  904    HA   VAL  70           HA       VAL  70  -2.378  -2.291   0.712
  905    HB   VAL  70           HB       VAL  70  -1.999  -0.743  -1.862
  906   1HG1  VAL  70          1HG1      VAL  70  -4.495  -1.300  -0.269
  907   2HG1  VAL  70          2HG1      VAL  70  -4.051  -2.079  -1.787
  908   3HG1  VAL  70          3HG1      VAL  70  -4.396  -0.350  -1.748
  909   1HG2  VAL  70          1HG2      VAL  70  -1.299   0.647  -0.030
  910   2HG2  VAL  70          2HG2      VAL  70  -2.743   0.231   0.891
  911   3HG2  VAL  70          3HG2      VAL  70  -2.883   1.191  -0.582
  912    H    LEU  71           H        LEU  71  -2.883  -4.338   0.273
  913    HA   LEU  71           HA       LEU  71  -1.587  -5.721  -1.891
  914   1HB   LEU  71          1HB       LEU  71  -3.076  -6.454   0.496
  915   2HB   LEU  71          2HB       LEU  71  -3.523  -7.429  -0.893
  916    HG   LEU  71           HG       LEU  71  -1.046  -7.881  -1.216
  917   1HD1  LEU  71          1HD1      LEU  71  -0.082  -6.124   0.066
  918   2HD1  LEU  71          2HD1      LEU  71   0.311  -7.646   0.867
  919   3HD1  LEU  71          3HD1      LEU  71  -0.965  -6.616   1.511
  920   1HD2  LEU  71          1HD2      LEU  71  -0.992  -9.593   0.557
  921   2HD2  LEU  71          2HD2      LEU  71  -2.520  -9.566  -0.324
  922   3HD2  LEU  71          3HD2      LEU  71  -2.417  -8.851   1.285
  923    H    ARG  72           H        ARG  72  -2.294  -5.083  -3.829
  924    HA   ARG  72           HA       ARG  72  -5.131  -4.793  -4.342
  925   1HB   ARG  72          1HB       ARG  72  -3.465  -3.255  -5.348
  926   2HB   ARG  72          2HB       ARG  72  -2.796  -4.603  -6.250
  927   1HG   ARG  72          1HG       ARG  72  -4.894  -4.872  -7.452
  928   2HG   ARG  72          2HG       ARG  72  -5.608  -3.555  -6.518
  929   1HD   ARG  72          1HD       ARG  72  -4.746  -2.963  -8.831
  930   2HD   ARG  72          2HD       ARG  72  -4.195  -1.953  -7.497
  931    HE   ARG  72           HE       ARG  72  -2.490  -4.169  -8.344
  932   1HH1  ARG  72          1HH1      ARG  72  -3.129  -0.722  -8.337
  933   2HH1  ARG  72          2HH1      ARG  72  -1.483  -0.292  -8.688
  934   1HH2  ARG  72          1HH2      ARG  72  -0.320  -3.607  -8.787
  935   2HH2  ARG  72          2HH2      ARG  72   0.114  -1.929  -8.932
  936    H    LEU  73           H        LEU  73  -5.572  -7.018  -3.759
  937    HA   LEU  73           HA       LEU  73  -4.614  -9.141  -5.430
  938   1HB   LEU  73          1HB       LEU  73  -5.682  -9.033  -2.930
  939   2HB   LEU  73          2HB       LEU  73  -7.067  -9.579  -3.855
  940    HG   LEU  73           HG       LEU  73  -4.414 -10.976  -4.075
  941   1HD1  LEU  73          1HD1      LEU  73  -6.578 -11.500  -2.039
  942   2HD1  LEU  73          2HD1      LEU  73  -4.944 -10.926  -1.705
  943   3HD1  LEU  73          3HD1      LEU  73  -5.194 -12.546  -2.358
  944   1HD2  LEU  73          1HD2      LEU  73  -7.277 -11.812  -4.532
  945   2HD2  LEU  73          2HD2      LEU  73  -5.881 -12.882  -4.652
  946   3HD2  LEU  73          3HD2      LEU  73  -6.048 -11.523  -5.766
  947    H    ARG  74           H        ARG  74  -5.221  -9.207  -7.476
  948    HA   ARG  74           HA       ARG  74  -7.599  -8.058  -8.486
  949   1HB   ARG  74          1HB       ARG  74  -5.443  -8.435  -9.745
  950   2HB   ARG  74          2HB       ARG  74  -5.881 -10.134  -9.841
  951   1HG   ARG  74          1HG       ARG  74  -7.621  -9.740 -11.307
  952   2HG   ARG  74          2HG       ARG  74  -7.778  -8.048 -10.822
  953   1HD   ARG  74          1HD       ARG  74  -6.780  -8.293 -13.062
  954   2HD   ARG  74          2HD       ARG  74  -5.699  -7.500 -11.922
  955    HE   ARG  74           HE       ARG  74  -5.447 -10.300 -12.814
  956   1HH1  ARG  74          1HH1      ARG  74  -4.031  -7.333 -11.606
  957   2HH1  ARG  74          2HH1      ARG  74  -2.401  -7.929 -11.649
  958   1HH2  ARG  74          1HH2      ARG  74  -3.307 -11.090 -12.905
  959   2HH2  ARG  74          2HH2      ARG  74  -1.988 -10.073 -12.417
  960    H    GLY  75           H        GLY  75  -9.588  -8.854  -8.594
  961   1HA   GLY  75          1HA       GLY  75 -10.816 -10.977  -9.297
  962   2HA   GLY  75          2HA       GLY  75  -9.956 -11.712  -7.949
  963    H    GLY  76           H        GLY  76 -10.286  -8.919  -6.654
  964   1HA   GLY  76          1HA       GLY  76 -12.559  -9.607  -5.081
  965   2HA   GLY  76          2HA       GLY  76 -11.641  -8.110  -4.983
  Start of MODEL   10
    1    H    GLY  63           H        GLY  63 -23.216  12.634  -5.588
    2   1HA   GLY  63          1HA       GLY  63 -22.434  11.586  -3.563
    3   2HA   GLY  63          2HA       GLY  63 -24.187  11.562  -3.680
    4    H    SER  64           H        SER  64 -22.500   9.828  -2.122
    5    HA   SER  64           HA       SER  64 -23.639   7.323  -2.931
    6   1HB   SER  64          1HB       SER  64 -21.692   7.133  -4.313
    7   2HB   SER  64          2HB       SER  64 -20.642   7.722  -3.032
    8    HG   SER  64           HG       SER  64 -21.776   5.199  -3.403
    9    H    GLN  65           H        GLN  65 -23.488   5.732  -1.277
   10    HA   GLN  65           HA       GLN  65 -23.631   6.818   1.340
   11   1HB   GLN  65          1HB       GLN  65 -23.526   3.944   0.419
   12   2HB   GLN  65          2HB       GLN  65 -23.960   4.471   2.038
   13   1HG   GLN  65          1HG       GLN  65 -26.009   5.250   1.388
   14   2HG   GLN  65          2HG       GLN  65 -25.488   5.553  -0.269
   15   1HE2  GLN  65          1HE2      GLN  65 -26.441   3.085   2.016
   16   2HE2  GLN  65          2HE2      GLN  65 -26.857   1.885   0.844
   17    H    TRP  66           H        TRP  66 -21.042   5.518  -0.509
   18    HA   TRP  66           HA       TRP  66 -19.385   5.403   1.925
   19   1HB   TRP  66          1HB       TRP  66 -18.925   3.848  -0.627
   20   2HB   TRP  66          2HB       TRP  66 -18.026   3.697   0.878
   21    HD1  TRP  66           HD1      TRP  66 -19.580   2.759   3.043
   22    HE1  TRP  66           HE1      TRP  66 -21.386   0.919   3.019
   23    HE3  TRP  66           HE3      TRP  66 -20.649   2.749  -1.955
   24    HZ2  TRP  66           HZ2      TRP  66 -23.038  -0.358   1.123
   25    HZ3  TRP  66           HZ3      TRP  66 -22.357   1.191  -2.792
   26    HH2  TRP  66           HH2      TRP  66 -23.529  -0.331  -1.283
   27    H    GLN  67           H        GLN  67 -20.012   7.587  -0.156
   28    HA   GLN  67           HA       GLN  67 -17.596   8.061  -1.563
   29   1HB   GLN  67          1HB       GLN  67 -19.912   9.103  -1.999
   30   2HB   GLN  67          2HB       GLN  67 -19.481  10.262  -0.753
   31   1HG   GLN  67          1HG       GLN  67 -18.829  11.372  -2.639
   32   2HG   GLN  67          2HG       GLN  67 -17.327  10.579  -2.174
   33   1HE2  GLN  67          1HE2      GLN  67 -18.284   7.941  -3.109
   34   2HE2  GLN  67          2HE2      GLN  67 -18.185   8.004  -4.833
   35    HA   PRO  68           HA       PRO  68 -16.527  11.106   2.115
   36   1HB   PRO  68          1HB       PRO  68 -17.919   9.722   4.344
   37   2HB   PRO  68          2HB       PRO  68 -17.733  11.452   4.038
   38   1HG   PRO  68          1HG       PRO  68 -20.076  10.252   3.653
   39   2HG   PRO  68          2HG       PRO  68 -19.508  11.517   2.546
   40   1HD   PRO  68          1HD       PRO  68 -19.499   8.541   2.192
   41   2HD   PRO  68          2HD       PRO  68 -19.898   9.816   1.022
   42    H    GLN  69           H        GLN  69 -17.136   7.688   2.562
   43    HA   GLN  69           HA       GLN  69 -14.956   7.125   4.268
   44   1HB   GLN  69          1HB       GLN  69 -16.676   5.456   2.453
   45   2HB   GLN  69          2HB       GLN  69 -15.290   4.748   3.267
   46   1HG   GLN  69          1HG       GLN  69 -17.254   4.290   4.545
   47   2HG   GLN  69          2HG       GLN  69 -16.263   5.441   5.435
   48   1HE2  GLN  69          1HE2      GLN  69 -17.967   6.202   6.639
   49   2HE2  GLN  69          2HE2      GLN  69 -19.229   7.174   5.967
   50    H    LEU  70           H        LEU  70 -15.339   7.226   0.767
   51    HA   LEU  70           HA       LEU  70 -12.852   6.101   0.076
   52   1HB   LEU  70          1HB       LEU  70 -14.528   8.144  -1.393
   53   2HB   LEU  70          2HB       LEU  70 -13.149   7.310  -2.082
   54    HG   LEU  70           HG       LEU  70 -15.713   6.005  -1.165
   55   1HD1  LEU  70          1HD1      LEU  70 -16.177   7.190  -3.152
   56   2HD1  LEU  70          2HD1      LEU  70 -15.901   5.517  -3.640
   57   3HD1  LEU  70          3HD1      LEU  70 -14.640   6.726  -3.879
   58   1HD2  LEU  70          1HD2      LEU  70 -14.768   4.005  -2.295
   59   2HD2  LEU  70          2HD2      LEU  70 -13.876   4.490  -0.854
   60   3HD2  LEU  70          3HD2      LEU  70 -13.237   4.866  -2.454
   61    H    GLN  71           H        GLN  71 -13.862   9.399   0.798
   62    HA   GLN  71           HA       GLN  71 -11.420  10.660   0.148
   63   1HB   GLN  71          1HB       GLN  71 -13.532  11.540   2.127
   64   2HB   GLN  71          2HB       GLN  71 -12.267  12.558   1.454
   65   1HG   GLN  71          1HG       GLN  71 -14.389  11.192  -0.181
   66   2HG   GLN  71          2HG       GLN  71 -14.496  12.851   0.401
   67   1HE2  GLN  71          1HE2      GLN  71 -14.642  13.589  -1.725
   68   2HE2  GLN  71          2HE2      GLN  71 -13.257  13.667  -2.756
   69    H    GLN  72           H        GLN  72 -12.619   9.094   3.036
   70    HA   GLN  72           HA       GLN  72 -10.570   9.935   4.809
   71   1HB   GLN  72          1HB       GLN  72 -12.915   8.640   5.129
   72   2HB   GLN  72          2HB       GLN  72 -11.830   7.263   5.173
   73   1HG   GLN  72          1HG       GLN  72 -11.510   9.673   6.937
   74   2HG   GLN  72          2HG       GLN  72 -12.447   8.252   7.393
   75   1HE2  GLN  72          1HE2      GLN  72  -9.344   9.641   7.129
   76   2HE2  GLN  72          2HE2      GLN  72  -8.436   8.280   7.691
   77    H    LEU  73           H        LEU  73 -11.023   7.124   2.719
   78    HA   LEU  73           HA       LEU  73  -8.617   5.813   3.442
   79   1HB   LEU  73          1HB       LEU  73 -10.449   5.568   1.067
   80   2HB   LEU  73          2HB       LEU  73  -9.018   4.573   1.256
   81    HG   LEU  73           HG       LEU  73 -11.239   4.669   3.294
   82   1HD1  LEU  73          1HD1      LEU  73 -10.807   2.742   1.021
   83   2HD1  LEU  73          2HD1      LEU  73 -12.164   3.850   1.222
   84   3HD1  LEU  73          3HD1      LEU  73 -11.949   2.507   2.345
   85   1HD2  LEU  73          1HD2      LEU  73 -10.223   2.527   4.010
   86   2HD2  LEU  73          2HD2      LEU  73  -9.137   3.904   4.198
   87   3HD2  LEU  73          3HD2      LEU  73  -8.922   2.790   2.849
   88    H    ARG  74           H        ARG  74  -9.456   8.124   0.908
   89    HA   ARG  74           HA       ARG  74  -7.113   7.972  -0.606
   90   1HB   ARG  74          1HB       ARG  74  -9.134  10.135  -0.141
   91   2HB   ARG  74          2HB       ARG  74  -7.667  10.509  -1.033
   92   1HG   ARG  74          1HG       ARG  74  -8.239   8.578  -2.552
   93   2HG   ARG  74          2HG       ARG  74  -9.811   8.528  -1.752
   94   1HD   ARG  74          1HD       ARG  74  -9.949   9.828  -3.798
   95   2HD   ARG  74          2HD       ARG  74 -10.196  10.868  -2.397
   96    HE   ARG  74           HE       ARG  74  -7.620  11.257  -2.775
   97   1HH1  ARG  74          1HH1      ARG  74 -10.170  11.092  -5.176
   98   2HH1  ARG  74          2HH1      ARG  74  -9.358  12.144  -6.288
   99   1HH2  ARG  74          1HH2      ARG  74  -6.548  12.622  -4.238
  100   2HH2  ARG  74          2HH2      ARG  74  -7.289  13.006  -5.762
  101    H    ASP  75           H        ASP  75  -7.781   9.559   2.418
  102    HA   ASP  75           HA       ASP  75  -5.467  11.201   2.522
  103   1HB   ASP  75          1HB       ASP  75  -7.428  11.609   3.936
  104   2HB   ASP  75          2HB       ASP  75  -7.165  10.076   4.761
  105    H    MET  76           H        MET  76  -6.108   7.867   3.302
  106    HA   MET  76           HA       MET  76  -3.668   7.453   4.771
  107   1HB   MET  76          1HB       MET  76  -5.682   6.091   5.200
  108   2HB   MET  76          2HB       MET  76  -5.607   5.464   3.561
  109   1HG   MET  76          1HG       MET  76  -3.346   4.523   4.141
  110   2HG   MET  76          2HG       MET  76  -3.681   4.965   5.813
  111   1HE   MET  76          1HE       MET  76  -6.746   4.348   6.218
  112   2HE   MET  76          2HE       MET  76  -5.462   3.865   7.322
  113   3HE   MET  76          3HE       MET  76  -6.651   2.679   6.780
  114    H    GLY  77           H        GLY  77  -4.564   7.637   1.509
  115   1HA   GLY  77          1HA       GLY  77  -2.775   7.805  -0.129
  116   2HA   GLY  77          2HA       GLY  77  -1.968   6.486   0.708
  117    H    ILE  78           H        ILE  78  -5.383   6.260   0.319
  118    HA   ILE  78           HA       ILE  78  -4.975   4.041  -1.520
  119    HB   ILE  78           HB       ILE  78  -7.604   4.876  -0.313
  120   1HG1  ILE  78          1HG1      ILE  78  -6.000   4.510   1.516
  121   2HG1  ILE  78          2HG1      ILE  78  -7.205   3.229   1.468
  122   1HG2  ILE  78          1HG2      ILE  78  -8.186   2.519  -0.692
  123   2HG2  ILE  78          2HG2      ILE  78  -6.600   2.257  -1.416
  124   3HG2  ILE  78          3HG2      ILE  78  -7.752   3.347  -2.187
  125   1HD1  ILE  78          1HD1      ILE  78  -5.596   1.764   0.364
  126   2HD1  ILE  78          2HD1      ILE  78  -4.998   2.343   1.919
  127   3HD1  ILE  78          3HD1      ILE  78  -4.389   3.050   0.422
  128    H    GLN  79           H        GLN  79  -4.621   4.912  -3.483
  129    HA   GLN  79           HA       GLN  79  -6.247   7.021  -4.556
  130   1HB   GLN  79          1HB       GLN  79  -3.808   6.589  -5.097
  131   2HB   GLN  79          2HB       GLN  79  -4.346   5.224  -6.061
  132   1HG   GLN  79          1HG       GLN  79  -5.641   6.719  -7.480
  133   2HG   GLN  79          2HG       GLN  79  -5.130   8.095  -6.501
  134   1HE2  GLN  79          1HE2      GLN  79  -2.417   7.090  -6.137
  135   2HE2  GLN  79          2HE2      GLN  79  -1.618   7.315  -7.654
  136    H    ASP  80           H        ASP  80  -6.378   3.595  -4.495
  137    HA   ASP  80           HA       ASP  80  -8.041   3.278  -6.814
  138   1HB   ASP  80          1HB       ASP  80  -7.096   1.438  -4.637
  139   2HB   ASP  80          2HB       ASP  80  -8.401   0.937  -5.705
  140    H    ASP  81           H        ASP  81  -9.636   4.890  -6.200
  141    HA   ASP  81           HA       ASP  81 -11.322   4.511  -3.939
  142   1HB   ASP  81          1HB       ASP  81 -12.703   6.254  -4.863
  143   2HB   ASP  81          2HB       ASP  81 -11.020   6.696  -5.124
  144    H    GLU  82           H        GLU  82 -11.271   3.217  -7.149
  145    HA   GLU  82           HA       GLU  82 -13.985   2.371  -7.256
  146   1HB   GLU  82          1HB       GLU  82 -12.659   2.614  -9.284
  147   2HB   GLU  82          2HB       GLU  82 -11.539   1.381  -8.731
  148   1HG   GLU  82          1HG       GLU  82 -14.170   0.294  -8.723
  149   2HG   GLU  82          2HG       GLU  82 -13.866   1.061 -10.283
  150    H    LEU  83           H        LEU  83 -10.948   0.654  -6.538
  151    HA   LEU  83           HA       LEU  83 -12.135  -1.803  -5.873
  152   1HB   LEU  83          1HB       LEU  83  -9.661  -1.218  -6.334
  153   2HB   LEU  83          2HB       LEU  83  -9.586  -0.799  -4.638
  154    HG   LEU  83           HG       LEU  83  -8.852  -3.176  -5.472
  155   1HD1  LEU  83          1HD1      LEU  83  -9.458  -4.110  -3.290
  156   2HD1  LEU  83          2HD1      LEU  83 -10.544  -2.749  -3.021
  157   3HD1  LEU  83          3HD1      LEU  83  -8.807  -2.476  -3.159
  158   1HD2  LEU  83          1HD2      LEU  83 -10.578  -4.841  -5.401
  159   2HD2  LEU  83          2HD2      LEU  83 -11.010  -3.630  -6.608
  160   3HD2  LEU  83          3HD2      LEU  83 -11.798  -3.625  -5.029
  161    H    SER  84           H        SER  84 -11.371   1.044  -3.942
  162    HA   SER  84           HA       SER  84 -11.940  -0.071  -1.423
  163   1HB   SER  84          1HB       SER  84 -12.166   2.813  -2.308
  164   2HB   SER  84          2HB       SER  84 -12.089   2.247  -0.639
  165    HG   SER  84           HG       SER  84 -10.083   2.256  -2.616
  166    H    LEU  85           H        LEU  85 -13.982   1.513  -3.829
  167    HA   LEU  85           HA       LEU  85 -16.306   1.772  -2.276
  168   1HB   LEU  85          1HB       LEU  85 -15.698   2.607  -4.699
  169   2HB   LEU  85          2HB       LEU  85 -16.444   1.101  -5.191
  170    HG   LEU  85           HG       LEU  85 -17.890   3.206  -5.216
  171   1HD1  LEU  85          1HD1      LEU  85 -18.810   0.754  -3.732
  172   2HD1  LEU  85          2HD1      LEU  85 -18.840   1.013  -5.477
  173   3HD1  LEU  85          3HD1      LEU  85 -19.872   1.981  -4.425
  174   1HD2  LEU  85          1HD2      LEU  85 -18.164   2.664  -2.274
  175   2HD2  LEU  85          2HD2      LEU  85 -18.824   4.004  -3.212
  176   3HD2  LEU  85          3HD2      LEU  85 -17.089   3.907  -2.913
  177    H    ARG  86           H        ARG  86 -15.087  -0.870  -4.272
  178    HA   ARG  86           HA       ARG  86 -17.296  -2.601  -3.956
  179   1HB   ARG  86          1HB       ARG  86 -14.390  -3.149  -4.591
  180   2HB   ARG  86          2HB       ARG  86 -15.649  -4.378  -4.649
  181   1HG   ARG  86          1HG       ARG  86 -16.642  -3.475  -6.518
  182   2HG   ARG  86          2HG       ARG  86 -16.004  -1.861  -6.207
  183   1HD   ARG  86          1HD       ARG  86 -14.864  -2.758  -8.106
  184   2HD   ARG  86          2HD       ARG  86 -13.734  -2.730  -6.756
  185    HE   ARG  86           HE       ARG  86 -14.914  -5.244  -6.772
  186   1HH1  ARG  86          1HH1      ARG  86 -12.868  -3.324  -8.883
  187   2HH1  ARG  86          2HH1      ARG  86 -12.098  -4.715  -9.590
  188   1HH2  ARG  86          1HH2      ARG  86 -13.921  -7.055  -7.710
  189   2HH2  ARG  86          2HH2      ARG  86 -12.701  -6.837  -8.933
  190    H    ALA  87           H        ALA  87 -14.237  -2.297  -2.185
  191    HA   ALA  87           HA       ALA  87 -14.682  -4.442  -0.401
  192   1HB   ALA  87          1HB       ALA  87 -13.005  -1.976   0.044
  193   2HB   ALA  87          2HB       ALA  87 -12.474  -3.427  -0.806
  194   3HB   ALA  87          3HB       ALA  87 -12.876  -3.505   0.910
  195    H    LEU  88           H        LEU  88 -15.466  -1.009  -0.249
  196    HA   LEU  88           HA       LEU  88 -16.395  -0.953   2.415
  197   1HB   LEU  88          1HB       LEU  88 -16.475   0.802   0.067
  198   2HB   LEU  88          2HB       LEU  88 -17.881   0.964   1.099
  199    HG   LEU  88           HG       LEU  88 -16.065   2.596   1.587
  200   1HD1  LEU  88          1HD1      LEU  88 -16.826   0.662   3.762
  201   2HD1  LEU  88          2HD1      LEU  88 -17.670   2.137   3.294
  202   3HD1  LEU  88          3HD1      LEU  88 -16.078   2.233   4.042
  203   1HD2  LEU  88          1HD2      LEU  88 -14.555   0.228   2.675
  204   2HD2  LEU  88          2HD2      LEU  88 -14.039   1.915   2.646
  205   3HD2  LEU  88          3HD2      LEU  88 -14.187   1.010   1.138
  206    H    GLN  89           H        GLN  89 -18.007  -1.527  -0.675
  207    HA   GLN  89           HA       GLN  89 -20.625  -1.761   0.370
  208   1HB   GLN  89          1HB       GLN  89 -20.252  -1.339  -1.987
  209   2HB   GLN  89          2HB       GLN  89 -19.384  -2.860  -2.158
  210   1HG   GLN  89          1HG       GLN  89 -21.418  -4.095  -1.685
  211   2HG   GLN  89          2HG       GLN  89 -22.301  -2.585  -1.463
  212   1HE2  GLN  89          1HE2      GLN  89 -20.705  -4.661  -3.762
  213   2HE2  GLN  89          2HE2      GLN  89 -21.431  -3.977  -5.175
  214    H    ALA  90           H        ALA  90 -18.019  -4.064  -0.161
  215    HA   ALA  90           HA       ALA  90 -19.469  -6.426   0.307
  216   1HB   ALA  90          1HB       ALA  90 -16.543  -5.901   0.810
  217   2HB   ALA  90          2HB       ALA  90 -17.250  -6.389  -0.730
  218   3HB   ALA  90          3HB       ALA  90 -17.308  -7.483   0.653
  219    H    THR  91           H        THR  91 -17.764  -4.242   2.499
  220    HA   THR  91           HA       THR  91 -18.339  -5.921   4.791
  221    HB   THR  91           HB       THR  91 -17.293  -3.964   6.055
  222    HG1  THR  91           HG1      THR  91 -16.244  -3.165   3.561
  223   1HG2  THR  91          1HG2      THR  91 -16.078  -6.015   5.498
  224   2HG2  THR  91          2HG2      THR  91 -15.026  -4.604   5.389
  225   3HG2  THR  91          3HG2      THR  91 -15.662  -5.346   3.921
  226    H    GLY  92           H        GLY  92 -19.885  -3.452   3.067
  227   1HA   GLY  92          1HA       GLY  92 -22.146  -2.854   3.502
  228   2HA   GLY  92          2HA       GLY  92 -21.878  -3.202   5.205
  229    H    GLY  93           H        GLY  93 -19.348  -1.738   5.254
  230   1HA   GLY  93          1HA       GLY  93 -19.226   0.810   4.464
  231   2HA   GLY  93          2HA       GLY  93 -20.477   0.896   5.696
  232    H    ASP  94           H        ASP  94 -17.448  -0.969   5.519
  233    HA   ASP  94           HA       ASP  94 -16.645   0.352   8.026
  234   1HB   ASP  94          1HB       ASP  94 -17.289  -2.137   8.166
  235   2HB   ASP  94          2HB       ASP  94 -15.789  -2.439   7.294
  236    H    ILE  95           H        ILE  95 -14.328   0.523   8.364
  237    HA   ILE  95           HA       ILE  95 -12.962   1.034   5.826
  238    HB   ILE  95           HB       ILE  95 -12.234   1.945   8.617
  239   1HG1  ILE  95          1HG1      ILE  95 -14.294   2.998   7.790
  240   2HG1  ILE  95          2HG1      ILE  95 -12.978   4.164   7.875
  241   1HG2  ILE  95          1HG2      ILE  95 -10.277   1.727   7.175
  242   2HG2  ILE  95          2HG2      ILE  95 -10.627   3.422   7.515
  243   3HG2  ILE  95          3HG2      ILE  95 -11.058   2.728   5.953
  244   1HD1  ILE  95          1HD1      ILE  95 -14.187   4.546   5.865
  245   2HD1  ILE  95          2HD1      ILE  95 -14.092   2.845   5.413
  246   3HD1  ILE  95          3HD1      ILE  95 -12.633   3.836   5.428
  247    H    GLN  96           H        GLN  96 -11.986  -0.115   9.062
  248    HA   GLN  96           HA       GLN  96  -9.615  -1.319   8.164
  249   1HB   GLN  96          1HB       GLN  96 -11.223  -1.612  10.680
  250   2HB   GLN  96          2HB       GLN  96  -9.768  -2.561  10.405
  251   1HG   GLN  96          1HG       GLN  96  -9.981   0.436  10.527
  252   2HG   GLN  96          2HG       GLN  96  -9.216  -0.629  11.704
  253   1HE2  GLN  96          1HE2      GLN  96  -7.897  -2.339   9.886
  254   2HE2  GLN  96          2HE2      GLN  96  -6.638  -1.435   9.118
  255    H    ALA  97           H        ALA  97 -12.845  -2.678   8.731
  256    HA   ALA  97           HA       ALA  97 -12.084  -5.373   8.281
  257   1HB   ALA  97          1HB       ALA  97 -14.781  -4.065   7.933
  258   2HB   ALA  97          2HB       ALA  97 -14.167  -4.822   9.403
  259   3HB   ALA  97          3HB       ALA  97 -14.483  -5.803   7.972
  260    H    ALA  98           H        ALA  98 -13.014  -2.748   6.169
  261    HA   ALA  98           HA       ALA  98 -13.391  -4.290   3.819
  262   1HB   ALA  98          1HB       ALA  98 -13.184  -2.160   2.624
  263   2HB   ALA  98          2HB       ALA  98 -12.612  -1.386   4.101
  264   3HB   ALA  98          3HB       ALA  98 -14.259  -2.013   4.014
  265    H    LEU  99           H        LEU  99 -10.632  -2.661   5.269
  266    HA   LEU  99           HA       LEU  99  -8.793  -3.046   3.181
  267   1HB   LEU  99          1HB       LEU  99  -8.185  -2.936   6.136
  268   2HB   LEU  99          2HB       LEU  99  -7.077  -2.583   4.825
  269    HG   LEU  99           HG       LEU  99  -9.528  -0.959   5.523
  270   1HD1  LEU  99          1HD1      LEU  99  -6.608  -0.343   5.930
  271   2HD1  LEU  99          2HD1      LEU  99  -7.756  -0.765   7.199
  272   3HD1  LEU  99          3HD1      LEU  99  -7.959   0.731   6.287
  273   1HD2  LEU  99          1HD2      LEU  99  -7.322  -0.296   3.590
  274   2HD2  LEU  99          2HD2      LEU  99  -8.805   0.608   3.881
  275   3HD2  LEU  99          3HD2      LEU  99  -8.875  -0.974   3.107
  276    H    GLU 100           H        GLU 100  -9.939  -5.139   5.720
  277    HA   GLU 100           HA       GLU 100  -7.913  -7.115   5.510
  278   1HB   GLU 100          1HB       GLU 100 -10.761  -7.326   6.496
  279   2HB   GLU 100          2HB       GLU 100  -9.543  -8.579   6.684
  280   1HG   GLU 100          1HG       GLU 100  -8.167  -6.867   7.930
  281   2HG   GLU 100          2HG       GLU 100  -9.611  -5.856   7.944
  282    H    LEU 101           H        LEU 101 -11.088  -6.684   4.004
  283    HA   LEU 101           HA       LEU 101 -11.099  -9.131   2.583
  284   1HB   LEU 101          1HB       LEU 101 -12.619  -6.582   2.448
  285   2HB   LEU 101          2HB       LEU 101 -12.630  -7.580   1.008
  286    HG   LEU 101           HG       LEU 101 -14.578  -8.143   2.223
  287   1HD1  LEU 101          1HD1      LEU 101 -13.141 -10.034   1.341
  288   2HD1  LEU 101          2HD1      LEU 101 -14.349 -10.454   2.555
  289   3HD1  LEU 101          3HD1      LEU 101 -12.653 -10.308   3.014
  290   1HD2  LEU 101          1HD2      LEU 101 -14.046  -7.192   4.364
  291   2HD2  LEU 101          2HD2      LEU 101 -12.804  -8.413   4.642
  292   3HD2  LEU 101          3HD2      LEU 101 -14.504  -8.879   4.584
  293    H    ILE 102           H        ILE 102  -9.801  -5.952   1.937
  294    HA   ILE 102           HA       ILE 102  -9.134  -6.349  -0.787
  295    HB   ILE 102           HB       ILE 102  -7.859  -4.507   1.252
  296   1HG1  ILE 102          1HG1      ILE 102  -9.949  -3.951  -0.866
  297   2HG1  ILE 102          2HG1      ILE 102 -10.272  -4.112   0.858
  298   1HG2  ILE 102          1HG2      ILE 102  -6.353  -4.894  -0.613
  299   2HG2  ILE 102          2HG2      ILE 102  -7.005  -3.256  -0.682
  300   3HG2  ILE 102          3HG2      ILE 102  -7.637  -4.503  -1.758
  301   1HD1  ILE 102          1HD1      ILE 102  -8.866  -2.158   1.294
  302   2HD1  ILE 102          2HD1      ILE 102 -10.202  -1.784   0.205
  303   3HD1  ILE 102          3HD1      ILE 102  -8.573  -1.994  -0.437
  304    H    PHE 103           H        PHE 103  -7.378  -6.796   2.235
  305    HA   PHE 103           HA       PHE 103  -4.877  -7.519   1.227
  306   1HB   PHE 103          1HB       PHE 103  -5.622  -7.019   3.641
  307   2HB   PHE 103          2HB       PHE 103  -6.087  -8.713   3.715
  308    HD1  PHE 103           HD1      PHE 103  -3.226  -6.424   3.221
  309    HD2  PHE 103           HD2      PHE 103  -4.484 -10.395   4.095
  310    HE1  PHE 103           HE1      PHE 103  -0.925  -7.010   3.858
  311    HE2  PHE 103           HE2      PHE 103  -2.182 -10.986   4.736
  312    HZ   PHE 103           HZ       PHE 103  -0.399  -9.292   4.619
  313    H    ALA 104           H        ALA 104  -7.749  -9.469   1.889
  314    HA   ALA 104           HA       ALA 104  -6.496 -11.960   1.230
  315   1HB   ALA 104          1HB       ALA 104  -9.426 -11.265   1.448
  316   2HB   ALA 104          2HB       ALA 104  -8.401 -11.851   2.759
  317   3HB   ALA 104          3HB       ALA 104  -8.748 -12.893   1.379
  318    H    GLY 105           H        GLY 105  -8.579  -9.655  -0.458
  319   1HA   GLY 105          1HA       GLY 105  -8.136  -9.338  -2.847
  320   2HA   GLY 105          2HA       GLY 105  -7.963 -11.082  -2.974
  321    H    GLY 106           H        GLY 106 -10.429  -9.136  -1.338
  322   1HA   GLY 106          1HA       GLY 106 -12.630  -8.729  -2.126
  323   2HA   GLY 106          2HA       GLY 106 -12.422 -10.019  -3.304
  324    H    ALA 107           H        ALA 107 -11.421 -11.979  -1.577
  325    HA   ALA 107           HA       ALA 107 -13.097 -12.399   0.681
  326   1HB   ALA 107          1HB       ALA 107 -14.369 -14.315  -0.201
  327   2HB   ALA 107          2HB       ALA 107 -13.733 -13.985  -1.813
  328   3HB   ALA 107          3HB       ALA 107 -14.789 -12.813  -1.027
  329    HA   PRO 108           HA       PRO 108  -9.533 -15.006   1.220
  330   1HB   PRO 108          1HB       PRO 108 -10.163 -16.027   3.649
  331   2HB   PRO 108          2HB       PRO 108  -9.586 -14.372   3.427
  332   1HG   PRO 108          1HG       PRO 108 -12.365 -15.368   3.853
  333   2HG   PRO 108          2HG       PRO 108 -11.585 -13.909   4.488
  334   1HD   PRO 108          1HD       PRO 108 -13.312 -13.940   2.350
  335   2HD   PRO 108          2HD       PRO 108 -12.072 -12.700   2.613
  336   1H    MET   1          1H        MET   1  18.833   1.468   4.009
  337   2H    MET   1          2H        MET   1  19.933   0.833   5.124
  338   3H    MET   1          3H        MET   1  20.197   2.362   4.466
  339    HA   MET   1           HA       MET   1  19.345   2.360   6.777
  340   1HB   MET   1          1HB       MET   1  17.858   4.204   6.438
  341   2HB   MET   1          2HB       MET   1  19.079   4.282   5.177
  342   1HG   MET   1          1HG       MET   1  17.499   3.267   3.603
  343   2HG   MET   1          2HG       MET   1  16.274   3.242   4.871
  344   1HE   MET   1          1HE       MET   1  15.593   4.554   2.139
  345   2HE   MET   1          2HE       MET   1  14.869   6.081   2.640
  346   3HE   MET   1          3HE       MET   1  14.506   4.601   3.527
  347    H    GLN   2           H        GLN   2  17.385   2.243   8.066
  348    HA   GLN   2           HA       GLN   2  15.932  -0.184   7.433
  349   1HB   GLN   2          1HB       GLN   2  16.869   0.099   9.670
  350   2HB   GLN   2          2HB       GLN   2  15.911   1.556   9.900
  351   1HG   GLN   2          1HG       GLN   2  13.867   0.122   9.598
  352   2HG   GLN   2          2HG       GLN   2  14.935  -1.278   9.676
  353   1HE2  GLN   2          1HE2      GLN   2  15.323   1.688  11.505
  354   2HE2  GLN   2          2HE2      GLN   2  15.034   0.981  13.059
  355    H    ILE   3           H        ILE   3  13.867  -0.302   6.801
  356    HA   ILE   3           HA       ILE   3  12.185   2.100   7.032
  357    HB   ILE   3           HB       ILE   3  11.121   1.491   4.848
  358   1HG1  ILE   3          1HG1      ILE   3  13.592  -0.069   4.184
  359   2HG1  ILE   3          2HG1      ILE   3  12.239  -0.872   4.974
  360   1HG2  ILE   3          1HG2      ILE   3  12.893   2.475   3.446
  361   2HG2  ILE   3          2HG2      ILE   3  14.035   2.253   4.772
  362   3HG2  ILE   3          3HG2      ILE   3  12.663   3.344   4.964
  363   1HD1  ILE   3          1HD1      ILE   3  12.263  -1.076   2.501
  364   2HD1  ILE   3          2HD1      ILE   3  12.009   0.667   2.402
  365   3HD1  ILE   3          3HD1      ILE   3  10.788  -0.362   3.151
  366    H    PHE   4           H        PHE   4   9.895   1.651   7.128
  367    HA   PHE   4           HA       PHE   4   9.350  -1.108   8.006
  368   1HB   PHE   4          1HB       PHE   4   8.100   1.466   8.990
  369   2HB   PHE   4          2HB       PHE   4   7.601  -0.147   9.482
  370    HD1  PHE   4           HD1      PHE   4   9.593   2.606  10.304
  371    HD2  PHE   4           HD2      PHE   4   9.541  -1.646  10.446
  372    HE1  PHE   4           HE1      PHE   4  11.262   2.648  12.109
  373    HE2  PHE   4           HE2      PHE   4  11.210  -1.609  12.251
  374    HZ   PHE   4           HZ       PHE   4  12.073   0.540  13.083
  375    H    VAL   5           H        VAL   5   8.149  -2.152   6.582
  376    HA   VAL   5           HA       VAL   5   6.300  -0.631   4.892
  377    HB   VAL   5           HB       VAL   5   7.062  -3.544   4.629
  378   1HG1  VAL   5          1HG1      VAL   5   6.266  -3.254   2.315
  379   2HG1  VAL   5          2HG1      VAL   5   5.771  -1.608   2.714
  380   3HG1  VAL   5          3HG1      VAL   5   4.997  -2.981   3.508
  381   1HG2  VAL   5          1HG2      VAL   5   8.247  -1.182   3.178
  382   2HG2  VAL   5          2HG2      VAL   5   8.639  -2.879   2.910
  383   3HG2  VAL   5          3HG2      VAL   5   9.052  -2.111   4.443
  384    H    LYS   6           H        LYS   6   4.399  -0.358   5.860
  385    HA   LYS   6           HA       LYS   6   3.274  -2.553   7.458
  386   1HB   LYS   6          1HB       LYS   6   3.694  -0.233   8.447
  387   2HB   LYS   6          2HB       LYS   6   2.366   0.318   7.442
  388   1HG   LYS   6          1HG       LYS   6   0.822  -1.105   8.587
  389   2HG   LYS   6          2HG       LYS   6   2.133  -1.867   9.494
  390   1HD   LYS   6          2HD       LYS   6   2.651   0.294  10.544
  391   2HD   LYS   6          1HD       LYS   6   1.316   1.034   9.658
  392   1HE   LYS   6          2HE       LYS   6  -0.249  -0.481  10.777
  393   2HE   LYS   6          1HE       LYS   6   1.091  -1.193  11.676
  394   1HZ   LYS   6          1HZ       LYS   6   1.428   0.799  12.854
  395   2HZ   LYS   6          2HZ       LYS   6  -0.250   0.575  12.850
  396   3HZ   LYS   6          3HZ       LYS   6   0.456   1.696  11.802
  397    H    THR   7           H        THR   7   1.487  -3.561   6.798
  398    HA   THR   7           HA       THR   7   0.277  -2.770   4.289
  399    HB   THR   7           HB       THR   7  -0.954  -4.844   4.400
  400    HG1  THR   7           HG1      THR   7  -1.313  -5.862   6.243
  401   1HG2  THR   7          1HG2      THR   7   1.905  -5.176   5.315
  402   2HG2  THR   7          2HG2      THR   7   1.325  -5.089   3.652
  403   3HG2  THR   7          3HG2      THR   7   0.910  -6.477   4.657
  404    H    LEU   8           H        LEU   8  -2.191  -2.914   4.178
  405    HA   LEU   8           HA       LEU   8  -3.293  -0.887   5.795
  406   1HB   LEU   8          1HB       LEU   8  -4.703  -2.911   4.061
  407   2HB   LEU   8          2HB       LEU   8  -5.407  -1.435   4.691
  408    HG   LEU   8           HG       LEU   8  -3.106  -1.571   2.744
  409   1HD1  LEU   8          1HD1      LEU   8  -6.042  -1.049   2.385
  410   2HD1  LEU   8          2HD1      LEU   8  -5.039  -2.257   1.586
  411   3HD1  LEU   8          3HD1      LEU   8  -4.834  -0.548   1.205
  412   1HD2  LEU   8          1HD2      LEU   8  -4.622   0.743   3.937
  413   2HD2  LEU   8          2HD2      LEU   8  -3.575   0.876   2.524
  414   3HD2  LEU   8          3HD2      LEU   8  -2.899   0.395   4.078
  415    H    THR   9           H        THR   9  -3.131  -4.317   6.179
  416    HA   THR   9           HA       THR   9  -5.292  -4.464   8.067
  417    HB   THR   9           HB       THR   9  -4.208  -6.812   8.449
  418    HG1  THR   9           HG1      THR   9  -2.945  -7.472   6.668
  419   1HG2  THR   9          1HG2      THR   9  -5.381  -7.669   6.479
  420   2HG2  THR   9          2HG2      THR   9  -5.438  -6.042   5.800
  421   3HG2  THR   9          3HG2      THR   9  -6.324  -6.411   7.278
  422    H    GLY  10           H        GLY  10  -1.968  -3.661   8.189
  423   1HA   GLY  10          1HA       GLY  10  -1.232  -2.591  10.264
  424   2HA   GLY  10          2HA       GLY  10  -2.066  -3.867  11.134
  425    H    LYS  11           H        LYS  11  -0.721  -5.418   8.618
  426    HA   LYS  11           HA       LYS  11   1.317  -6.598  10.226
  427   1HB   LYS  11          1HB       LYS  11  -0.004  -7.770   8.409
  428   2HB   LYS  11          2HB       LYS  11   0.958  -6.885   7.236
  429   1HG   LYS  11          1HG       LYS  11   2.995  -7.922   8.182
  430   2HG   LYS  11          2HG       LYS  11   1.970  -8.874   9.255
  431   1HD   LYS  11          2HD       LYS  11   0.782  -9.550   7.016
  432   2HD   LYS  11          1HD       LYS  11   2.317  -9.064   6.298
  433   1HE   LYS  11          2HE       LYS  11   2.034 -11.067   8.536
  434   2HE   LYS  11          1HE       LYS  11   2.174 -11.488   6.831
  435   1HZ   LYS  11          1HZ       LYS  11   4.215  -9.886   8.266
  436   2HZ   LYS  11          2HZ       LYS  11   4.353 -10.620   6.741
  437   3HZ   LYS  11          3HZ       LYS  11   4.285 -11.572   8.140
  438    H    THR  12           H        THR  12   3.117  -5.521  10.697
  439    HA   THR  12           HA       THR  12   4.277  -3.735   8.682
  440    HB   THR  12           HB       THR  12   5.200  -3.915  11.535
  441    HG1  THR  12           HG1      THR  12   2.821  -3.577  11.306
  442   1HG2  THR  12          1HG2      THR  12   5.094  -1.622   9.569
  443   2HG2  THR  12          2HG2      THR  12   6.519  -2.604   9.906
  444   3HG2  THR  12          3HG2      THR  12   5.825  -1.594  11.175
  445    H    ILE  13           H        ILE  13   5.814  -4.601   7.458
  446    HA   ILE  13           HA       ILE  13   7.505  -6.712   8.624
  447    HB   ILE  13           HB       ILE  13   8.014  -7.466   6.406
  448   1HG1  ILE  13          1HG1      ILE  13   6.296  -5.260   5.275
  449   2HG1  ILE  13          2HG1      ILE  13   8.045  -5.112   5.435
  450   1HG2  ILE  13          1HG2      ILE  13   5.954  -8.322   7.267
  451   2HG2  ILE  13          2HG2      ILE  13   5.746  -8.014   5.544
  452   3HG2  ILE  13          3HG2      ILE  13   5.076  -6.892   6.729
  453   1HD1  ILE  13          1HD1      ILE  13   7.472  -5.756   3.190
  454   2HD1  ILE  13          2HD1      ILE  13   6.556  -7.142   3.782
  455   3HD1  ILE  13          3HD1      ILE  13   8.306  -7.087   3.989
  456    H    THR  14           H        THR  14   9.752  -6.590   8.419
  457    HA   THR  14           HA       THR  14  10.757  -3.866   8.166
  458    HB   THR  14           HB       THR  14  12.900  -5.461   8.878
  459    HG1  THR  14           HG1      THR  14  12.106  -7.223   9.733
  460   1HG2  THR  14          1HG2      THR  14  12.540  -4.543  11.133
  461   2HG2  THR  14          2HG2      THR  14  10.913  -4.051  10.663
  462   3HG2  THR  14          3HG2      THR  14  12.317  -3.319   9.886
  463    H    LEU  15           H        LEU  15  12.691  -3.417   6.961
  464    HA   LEU  15           HA       LEU  15  13.664  -5.352   5.072
  465   1HB   LEU  15          1HB       LEU  15  11.476  -4.144   4.177
  466   2HB   LEU  15          2HB       LEU  15  12.615  -2.864   3.810
  467    HG   LEU  15           HG       LEU  15  13.964  -4.625   2.550
  468   1HD1  LEU  15          1HD1      LEU  15  12.761  -6.576   1.780
  469   2HD1  LEU  15          2HD1      LEU  15  11.348  -6.112   2.727
  470   3HD1  LEU  15          3HD1      LEU  15  12.840  -6.578   3.541
  471   1HD2  LEU  15          1HD2      LEU  15  12.515  -4.445   0.561
  472   2HD2  LEU  15          2HD2      LEU  15  12.713  -2.908   1.402
  473   3HD2  LEU  15          3HD2      LEU  15  11.221  -3.827   1.586
  474    H    GLU  16           H        GLU  16  15.743  -4.924   4.589
  475    HA   GLU  16           HA       GLU  16  16.817  -2.344   5.489
  476   1HB   GLU  16          1HB       GLU  16  18.361  -4.896   5.008
  477   2HB   GLU  16          2HB       GLU  16  18.925  -3.447   5.829
  478   1HG   GLU  16          1HG       GLU  16  16.855  -4.004   7.399
  479   2HG   GLU  16          2HG       GLU  16  17.191  -5.632   6.812
  480    H    VAL  17           H        VAL  17  16.668  -1.069   3.701
  481    HA   VAL  17           HA       VAL  17  18.209  -1.939   1.355
  482    HB   VAL  17           HB       VAL  17  16.573  -0.625  -0.066
  483   1HG1  VAL  17          1HG1      VAL  17  16.635  -3.071  -0.049
  484   2HG1  VAL  17          2HG1      VAL  17  14.991  -2.466  -0.257
  485   3HG1  VAL  17          3HG1      VAL  17  15.511  -3.088   1.309
  486   1HG2  VAL  17          1HG2      VAL  17  14.859  -0.889   2.403
  487   2HG2  VAL  17          2HG2      VAL  17  14.299  -0.355   0.819
  488   3HG2  VAL  17          3HG2      VAL  17  15.469   0.616   1.712
  489    H    GLU  18           H        GLU  18  19.062  -0.176   0.065
  490    HA   GLU  18           HA       GLU  18  19.844   2.050   1.775
  491   1HB   GLU  18          1HB       GLU  18  20.797   1.046  -0.904
  492   2HB   GLU  18          2HB       GLU  18  21.323   2.593  -0.257
  493   1HG   GLU  18          1HG       GLU  18  21.856  -0.155   0.803
  494   2HG   GLU  18          2HG       GLU  18  23.013   1.077   0.305
  495    HA   PRO  19           HA       PRO  19  17.150   5.076  -0.021
  496   1HB   PRO  19          1HB       PRO  19  19.505   6.842  -0.363
  497   2HB   PRO  19          2HB       PRO  19  18.017   7.127   0.544
  498   1HG   PRO  19          1HG       PRO  19  20.312   6.625   1.806
  499   2HG   PRO  19          2HG       PRO  19  18.776   5.965   2.405
  500   1HD   PRO  19          1HD       PRO  19  20.953   4.608   0.867
  501   2HD   PRO  19          2HD       PRO  19  19.977   3.997   2.219
  502    H    SER  20           H        SER  20  20.027   4.057  -1.609
  503    HA   SER  20           HA       SER  20  19.402   5.277  -4.153
  504   1HB   SER  20          1HB       SER  20  21.433   3.444  -4.559
  505   2HB   SER  20          2HB       SER  20  21.646   5.151  -4.174
  506    HG   SER  20           HG       SER  20  22.572   3.263  -2.767
  507    H    ASP  21           H        ASP  21  18.399   2.536  -2.507
  508    HA   ASP  21           HA       ASP  21  18.280   0.681  -4.678
  509   1HB   ASP  21          1HB       ASP  21  17.333   0.760  -1.880
  510   2HB   ASP  21          2HB       ASP  21  16.361  -0.216  -2.974
  511    H    THR  22           H        THR  22  16.827   0.535  -6.249
  512    HA   THR  22           HA       THR  22  14.787   2.511  -6.516
  513    HB   THR  22           HB       THR  22  14.193   0.697  -8.452
  514    HG1  THR  22           HG1      THR  22  16.092  -0.296  -9.112
  515   1HG2  THR  22          1HG2      THR  22  15.609   2.035  -9.942
  516   2HG2  THR  22          2HG2      THR  22  16.438   2.721  -8.544
  517   3HG2  THR  22          3HG2      THR  22  14.727   3.061  -8.809
  518    H    ILE  23           H        ILE  23  12.535   2.169  -6.617
  519    HA   ILE  23           HA       ILE  23  11.428   0.594  -4.604
  520    HB   ILE  23           HB       ILE  23  10.064   1.689  -7.069
  521   1HG1  ILE  23          1HG1      ILE  23  11.155   3.438  -5.774
  522   2HG1  ILE  23          2HG1      ILE  23   9.411   3.555  -5.583
  523   1HG2  ILE  23          1HG2      ILE  23   8.845   0.832  -4.448
  524   2HG2  ILE  23          2HG2      ILE  23   8.744  -0.063  -5.964
  525   3HG2  ILE  23          3HG2      ILE  23   7.988   1.524  -5.827
  526   1HD1  ILE  23          1HD1      ILE  23  10.406   3.934  -3.463
  527   2HD1  ILE  23          2HD1      ILE  23  11.403   2.486  -3.604
  528   3HD1  ILE  23          3HD1      ILE  23   9.657   2.339  -3.415
  529    H    GLU  24           H        GLU  24  12.120  -0.165  -7.937
  530    HA   GLU  24           HA       GLU  24  10.555  -2.449  -8.279
  531   1HB   GLU  24          1HB       GLU  24  11.900  -1.250 -10.039
  532   2HB   GLU  24          2HB       GLU  24  13.335  -2.022  -9.381
  533   1HG   GLU  24          1HG       GLU  24  12.415  -4.208  -9.887
  534   2HG   GLU  24          2HG       GLU  24  10.948  -3.459 -10.511
  535    H    ASN  25           H        ASN  25  13.870  -2.124  -7.012
  536    HA   ASN  25           HA       ASN  25  14.209  -4.907  -6.520
  537   1HB   ASN  25          1HB       ASN  25  16.070  -3.187  -6.773
  538   2HB   ASN  25          2HB       ASN  25  15.700  -2.682  -5.126
  539   1HD2  ASN  25          1HD2      ASN  25  17.586  -3.313  -4.185
  540   2HD2  ASN  25          2HD2      ASN  25  18.085  -4.968  -4.070
  541    H    VAL  26           H        VAL  26  12.999  -2.197  -4.672
  542    HA   VAL  26           HA       VAL  26  12.964  -3.362  -2.120
  543    HB   VAL  26           HB       VAL  26  11.076  -1.309  -3.301
  544   1HG1  VAL  26          1HG1      VAL  26  10.623  -0.695  -0.927
  545   2HG1  VAL  26          2HG1      VAL  26  11.497  -2.146  -0.434
  546   3HG1  VAL  26          3HG1      VAL  26  10.016  -2.289  -1.379
  547   1HG2  VAL  26          1HG2      VAL  26  13.522  -0.970  -1.566
  548   2HG2  VAL  26          2HG2      VAL  26  12.471   0.324  -2.141
  549   3HG2  VAL  26          3HG2      VAL  26  13.424  -0.614  -3.291
  550    H    LYS  27           H        LYS  27  10.491  -3.284  -4.664
  551    HA   LYS  27           HA       LYS  27   8.547  -4.799  -3.310
  552   1HB   LYS  27          1HB       LYS  27   9.083  -4.407  -6.254
  553   2HB   LYS  27          2HB       LYS  27   7.695  -5.296  -5.647
  554   1HG   LYS  27          1HG       LYS  27   6.988  -3.251  -4.426
  555   2HG   LYS  27          2HG       LYS  27   8.318  -2.384  -5.200
  556   1HD   LYS  27          2HD       LYS  27   7.359  -2.991  -7.409
  557   2HD   LYS  27          1HD       LYS  27   5.988  -3.730  -6.576
  558   1HE   LYS  27          2HE       LYS  27   5.370  -1.598  -5.625
  559   2HE   LYS  27          1HE       LYS  27   6.807  -0.839  -6.306
  560   1HZ   LYS  27          1HZ       LYS  27   4.851  -0.365  -7.636
  561   2HZ   LYS  27          2HZ       LYS  27   4.572  -2.014  -7.864
  562   3HZ   LYS  27          3HZ       LYS  27   5.956  -1.293  -8.526
  563    H    ALA  28           H        ALA  28  11.242  -5.727  -5.375
  564    HA   ALA  28           HA       ALA  28  10.646  -8.448  -5.666
  565   1HB   ALA  28          1HB       ALA  28  13.028  -8.723  -6.207
  566   2HB   ALA  28          2HB       ALA  28  13.341  -7.091  -5.613
  567   3HB   ALA  28          3HB       ALA  28  12.322  -7.333  -7.031
  568    H    LYS  29           H        LYS  29  12.479  -6.713  -3.185
  569    HA   LYS  29           HA       LYS  29  13.324  -9.022  -1.778
  570   1HB   LYS  29          1HB       LYS  29  13.048  -6.135  -0.952
  571   2HB   LYS  29          2HB       LYS  29  13.683  -7.378   0.118
  572   1HG   LYS  29          1HG       LYS  29  15.487  -7.823  -1.445
  573   2HG   LYS  29          2HG       LYS  29  14.846  -6.606  -2.548
  574   1HD   LYS  29          2HD       LYS  29  15.283  -4.855  -0.988
  575   2HD   LYS  29          1HD       LYS  29  15.671  -6.010   0.286
  576   1HE   LYS  29          2HE       LYS  29  17.236  -5.591  -2.257
  577   2HE   LYS  29          1HE       LYS  29  17.688  -4.994  -0.662
  578   1HZ   LYS  29          1HZ       LYS  29  17.500  -7.825  -1.524
  579   2HZ   LYS  29          2HZ       LYS  29  17.727  -7.349   0.080
  580   3HZ   LYS  29          3HZ       LYS  29  18.897  -6.979  -1.086
  581    H    ILE  30           H        ILE  30  10.524  -6.886  -1.461
  582    HA   ILE  30           HA       ILE  30   9.483  -8.027   0.898
  583    HB   ILE  30           HB       ILE  30   8.055  -6.641  -1.380
  584   1HG1  ILE  30          1HG1      ILE  30   8.835  -5.605   1.356
  585   2HG1  ILE  30          2HG1      ILE  30   9.770  -5.325  -0.110
  586   1HG2  ILE  30          1HG2      ILE  30   7.033  -7.352   1.368
  587   2HG2  ILE  30          2HG2      ILE  30   6.476  -8.026  -0.164
  588   3HG2  ILE  30          3HG2      ILE  30   6.197  -6.323   0.205
  589   1HD1  ILE  30          1HD1      ILE  30   6.947  -4.408   0.385
  590   2HD1  ILE  30          2HD1      ILE  30   7.885  -4.118  -1.080
  591   3HD1  ILE  30          3HD1      ILE  30   8.395  -3.404   0.452
  592    H    GLN  31           H        GLN  31   9.114  -8.828  -2.507
  593    HA   GLN  31           HA       GLN  31   7.121 -10.819  -2.169
  594   1HB   GLN  31          1HB       GLN  31   7.583  -9.721  -4.327
  595   2HB   GLN  31          2HB       GLN  31   9.166 -10.487  -4.371
  596   1HG   GLN  31          1HG       GLN  31   7.912 -12.699  -4.260
  597   2HG   GLN  31          2HG       GLN  31   6.467 -11.763  -4.634
  598   1HE2  GLN  31          1HE2      GLN  31   6.178 -12.782  -6.602
  599   2HE2  GLN  31          2HE2      GLN  31   7.205 -12.475  -7.961
  600    H    ASP  32           H        ASP  32  10.616 -10.818  -2.066
  601    HA   ASP  32           HA       ASP  32  10.991 -13.618  -2.173
  602   1HB   ASP  32          1HB       ASP  32  12.814 -12.112  -2.672
  603   2HB   ASP  32          2HB       ASP  32  12.739 -11.419  -1.056
  604    H    LYS  33           H        LYS  33  10.333 -11.425   0.504
  605    HA   LYS  33           HA       LYS  33  10.723 -13.645   2.371
  606   1HB   LYS  33          1HB       LYS  33  10.502 -11.922   4.154
  607   2HB   LYS  33          2HB       LYS  33  11.853 -11.673   3.061
  608   1HG   LYS  33          1HG       LYS  33  10.976  -9.762   2.185
  609   2HG   LYS  33          2HG       LYS  33   9.309 -10.275   2.450
  610   1HD   LYS  33          2HD       LYS  33   9.977  -8.404   3.921
  611   2HD   LYS  33          1HD       LYS  33   9.509  -9.846   4.825
  612   1HE   LYS  33          2HE       LYS  33  11.989 -10.414   4.901
  613   2HE   LYS  33          1HE       LYS  33  12.276  -8.778   4.318
  614   1HZ   LYS  33          1HZ       LYS  33  11.309  -7.869   6.261
  615   2HZ   LYS  33          2HZ       LYS  33  12.384  -9.070   6.780
  616   3HZ   LYS  33          3HZ       LYS  33  10.723  -9.375   6.771
  617    H    GLU  34           H        GLU  34   8.165 -11.347   1.417
  618    HA   GLU  34           HA       GLU  34   6.318 -12.680   3.230
  619   1HB   GLU  34          1HB       GLU  34   5.998 -10.297   1.413
  620   2HB   GLU  34          2HB       GLU  34   4.695 -10.955   2.392
  621   1HG   GLU  34          1HG       GLU  34   7.275  -9.773   3.381
  622   2HG   GLU  34          2HG       GLU  34   5.663  -9.069   3.507
  623    H    GLY  35           H        GLY  35   7.075 -12.643  -0.156
  624   1HA   GLY  35          1HA       GLY  35   6.363 -14.144  -1.775
  625   2HA   GLY  35          2HA       GLY  35   5.256 -14.837  -0.599
  626    H    ILE  36           H        ILE  36   5.390 -11.439  -1.424
  627    HA   ILE  36           HA       ILE  36   2.665 -11.637  -2.518
  628    HB   ILE  36           HB       ILE  36   4.081  -9.183  -1.449
  629   1HG1  ILE  36          1HG1      ILE  36   1.857 -10.729  -0.114
  630   2HG1  ILE  36          2HG1      ILE  36   3.558 -10.987   0.258
  631   1HG2  ILE  36          1HG2      ILE  36   1.193  -9.626  -2.199
  632   2HG2  ILE  36          2HG2      ILE  36   2.368  -8.674  -3.105
  633   3HG2  ILE  36          3HG2      ILE  36   1.863  -8.155  -1.496
  634   1HD1  ILE  36          1HD1      ILE  36   2.382  -9.494   1.846
  635   2HD1  ILE  36          2HD1      ILE  36   2.153  -8.342   0.529
  636   3HD1  ILE  36          3HD1      ILE  36   3.782  -8.752   1.071
  637    HA   PRO  37           HA       PRO  37   4.635 -10.913  -6.505
  638   1HB   PRO  37          1HB       PRO  37   1.824 -10.256  -7.227
  639   2HB   PRO  37          2HB       PRO  37   2.956 -11.367  -8.007
  640   1HG   PRO  37          1HG       PRO  37   0.948 -12.288  -6.517
  641   2HG   PRO  37          2HG       PRO  37   2.540 -13.068  -6.488
  642   1HD   PRO  37          1HD       PRO  37   1.282 -11.248  -4.479
  643   2HD   PRO  37          2HD       PRO  37   2.325 -12.661  -4.227
  644    HA   PRO  38           HA       PRO  38   5.272  -6.491  -6.167
  645   1HB   PRO  38          1HB       PRO  38   5.949  -6.844  -9.052
  646   2HB   PRO  38          2HB       PRO  38   6.855  -6.026  -7.775
  647   1HG   PRO  38          1HG       PRO  38   7.606  -8.425  -8.621
  648   2HG   PRO  38          2HG       PRO  38   7.672  -8.010  -6.898
  649   1HD   PRO  38          1HD       PRO  38   5.713  -9.722  -8.360
  650   2HD   PRO  38          2HD       PRO  38   6.365  -9.899  -6.720
  651    H    ASP  39           H        ASP  39   3.457  -7.945  -8.814
  652    HA   ASP  39           HA       ASP  39   2.267  -5.620  -9.849
  653   1HB   ASP  39          1HB       ASP  39   2.074  -7.501 -11.217
  654   2HB   ASP  39          2HB       ASP  39   1.570  -8.536  -9.888
  655    H    GLN  40           H        GLN  40   1.518  -7.579  -7.067
  656    HA   GLN  40           HA       GLN  40  -1.011  -6.176  -6.637
  657   1HB   GLN  40          1HB       GLN  40   0.271  -8.486  -5.163
  658   2HB   GLN  40          2HB       GLN  40  -1.279  -7.772  -4.741
  659   1HG   GLN  40          1HG       GLN  40  -2.317  -8.577  -6.656
  660   2HG   GLN  40          2HG       GLN  40  -0.785  -8.849  -7.485
  661   1HE2  GLN  40          1HE2      GLN  40  -1.337  -9.783  -4.175
  662   2HE2  GLN  40          2HE2      GLN  40  -1.333 -11.488  -4.448
  663    H    GLN  41           H        GLN  41   2.158  -5.625  -6.009
  664    HA   GLN  41           HA       GLN  41   1.823  -4.628  -3.294
  665   1HB   GLN  41          1HB       GLN  41   4.207  -4.720  -5.139
  666   2HB   GLN  41          2HB       GLN  41   4.241  -3.980  -3.548
  667   1HG   GLN  41          1HG       GLN  41   3.566  -6.207  -2.610
  668   2HG   GLN  41          2HG       GLN  41   3.837  -6.879  -4.219
  669   1HE2  GLN  41          1HE2      GLN  41   5.559  -8.170  -3.604
  670   2HE2  GLN  41          2HE2      GLN  41   7.095  -7.507  -3.157
  671    H    ARG  42           H        ARG  42   0.326  -2.912  -3.721
  672    HA   ARG  42           HA       ARG  42   1.293  -0.741  -5.412
  673   1HB   ARG  42          1HB       ARG  42  -1.178  -1.567  -5.222
  674   2HB   ARG  42          2HB       ARG  42  -1.207  -0.601  -3.755
  675   1HG   ARG  42          1HG       ARG  42  -0.292   1.287  -5.285
  676   2HG   ARG  42          2HG       ARG  42  -0.925   0.283  -6.590
  677   1HD   ARG  42          1HD       ARG  42  -2.647   1.806  -6.039
  678   2HD   ARG  42          2HD       ARG  42  -3.120   0.261  -5.332
  679    HE   ARG  42           HE       ARG  42  -1.672   2.059  -3.579
  680   1HH1  ARG  42          1HH1      ARG  42  -4.813   0.986  -4.711
  681   2HH1  ARG  42          2HH1      ARG  42  -5.629   1.466  -3.251
  682   1HH2  ARG  42          1HH2      ARG  42  -2.765   2.745  -1.690
  683   2HH2  ARG  42          2HH2      ARG  42  -4.468   2.472  -1.546
  684    H    LEU  43           H        LEU  43   3.149  -0.422  -4.045
  685    HA   LEU  43           HA       LEU  43   2.959   0.398  -1.342
  686   1HB   LEU  43          1HB       LEU  43   5.075   0.530  -3.450
  687   2HB   LEU  43          2HB       LEU  43   5.298   1.403  -1.948
  688    HG   LEU  43           HG       LEU  43   4.704  -1.544  -1.992
  689   1HD1  LEU  43          1HD1      LEU  43   7.115  -1.923  -1.784
  690   2HD1  LEU  43          2HD1      LEU  43   7.404  -0.204  -2.061
  691   3HD1  LEU  43          3HD1      LEU  43   6.696  -1.197  -3.334
  692   1HD2  LEU  43          1HD2      LEU  43   5.980   0.284   0.039
  693   2HD2  LEU  43          2HD2      LEU  43   5.782  -1.460   0.213
  694   3HD2  LEU  43          3HD2      LEU  43   4.364  -0.418   0.128
  695    H    ILE  44           H        ILE  44   2.269   2.247  -0.534
  696    HA   ILE  44           HA       ILE  44   2.448   4.677  -2.196
  697    HB   ILE  44           HB       ILE  44   0.240   4.113  -0.215
  698   1HG1  ILE  44          1HG1      ILE  44   0.141   2.573  -2.184
  699   2HG1  ILE  44          2HG1      ILE  44  -1.240   3.654  -2.060
  700   1HG2  ILE  44          1HG2      ILE  44  -0.827   6.057  -1.182
  701   2HG2  ILE  44          2HG2      ILE  44   0.493   6.239  -2.338
  702   3HG2  ILE  44          3HG2      ILE  44   0.789   6.478  -0.616
  703   1HD1  ILE  44          1HD1      ILE  44   0.028   5.137  -3.717
  704   2HD1  ILE  44          2HD1      ILE  44  -0.715   3.654  -4.317
  705   3HD1  ILE  44          3HD1      ILE  44   1.021   3.709  -4.011
  706    H    PHE  45           H        PHE  45   3.542   6.297  -1.272
  707    HA   PHE  45           HA       PHE  45   4.050   6.130   1.617
  708   1HB   PHE  45          1HB       PHE  45   6.078   6.192   0.226
  709   2HB   PHE  45          2HB       PHE  45   5.538   7.700  -0.505
  710    HD1  PHE  45           HD1      PHE  45   5.860   6.397   2.982
  711    HD2  PHE  45           HD2      PHE  45   6.727   9.520   0.225
  712    HE1  PHE  45           HE1      PHE  45   6.999   7.646   4.767
  713    HE2  PHE  45           HE2      PHE  45   7.869  10.776   2.008
  714    HZ   PHE  45           HZ       PHE  45   8.006   9.841   4.280
  715    H    ALA  46           H        ALA  46   2.436   7.140   2.584
  716    HA   ALA  46           HA       ALA  46   1.136   8.798   3.394
  717   1HB   ALA  46          1HB       ALA  46   2.680  10.730   1.674
  718   2HB   ALA  46          2HB       ALA  46   3.234  10.148   3.243
  719   3HB   ALA  46          3HB       ALA  46   1.746  11.085   3.127
  720    H    GLY  47           H        GLY  47   1.730   9.851   0.049
  721   1HA   GLY  47          1HA       GLY  47  -0.977   9.140  -0.717
  722   2HA   GLY  47          2HA       GLY  47  -0.652  10.870  -0.665
  723    H    LYS  48           H        LYS  48   2.045   8.953  -1.436
  724    HA   LYS  48           HA       LYS  48   1.691   9.569  -4.296
  725   1HB   LYS  48          1HB       LYS  48   4.210   9.629  -2.626
  726   2HB   LYS  48          2HB       LYS  48   4.185   9.769  -4.378
  727   1HG   LYS  48          1HG       LYS  48   3.069  11.848  -4.292
  728   2HG   LYS  48          2HG       LYS  48   2.697  11.657  -2.578
  729   1HD   LYS  48          2HD       LYS  48   5.024  11.870  -1.996
  730   2HD   LYS  48          1HD       LYS  48   5.488  11.882  -3.697
  731   1HE   LYS  48          2HE       LYS  48   3.698  13.949  -2.438
  732   2HE   LYS  48          1HE       LYS  48   5.444  14.130  -2.585
  733   1HZ   LYS  48          1HZ       LYS  48   5.117  13.782  -5.031
  734   2HZ   LYS  48          2HZ       LYS  48   4.487  15.227  -4.421
  735   3HZ   LYS  48          3HZ       LYS  48   3.453  13.938  -4.769
  736    H    GLN  49           H        GLN  49   1.788   7.882  -5.636
  737    HA   GLN  49           HA       GLN  49   2.208   5.243  -4.622
  738   1HB   GLN  49          1HB       GLN  49   0.596   5.760  -6.444
  739   2HB   GLN  49          2HB       GLN  49   1.949   6.164  -7.495
  740   1HG   GLN  49          1HG       GLN  49   2.768   3.774  -6.934
  741   2HG   GLN  49          2HG       GLN  49   1.095   3.504  -6.451
  742   1HE2  GLN  49          1HE2      GLN  49  -0.025   5.276  -8.446
  743   2HE2  GLN  49          2HE2      GLN  49   0.140   4.466  -9.968
  744    H    LEU  50           H        LEU  50   4.050   4.110  -4.547
  745    HA   LEU  50           HA       LEU  50   6.498   5.366  -5.388
  746   1HB   LEU  50          1HB       LEU  50   6.114   2.581  -4.292
  747   2HB   LEU  50          2HB       LEU  50   7.616   3.481  -4.372
  748    HG   LEU  50           HG       LEU  50   5.263   3.960  -2.556
  749   1HD1  LEU  50          1HD1      LEU  50   6.785   3.561  -0.806
  750   2HD1  LEU  50          2HD1      LEU  50   8.177   3.688  -1.882
  751   3HD1  LEU  50          3HD1      LEU  50   7.096   2.299  -2.000
  752   1HD2  LEU  50          1HD2      LEU  50   7.612   5.785  -3.064
  753   2HD2  LEU  50          2HD2      LEU  50   6.476   5.947  -1.727
  754   3HD2  LEU  50          3HD2      LEU  50   5.914   6.139  -3.387
  755    H    GLU  51           H        GLU  51   6.938   5.399  -7.491
  756    HA   GLU  51           HA       GLU  51   6.158   3.274  -9.260
  757   1HB   GLU  51          1HB       GLU  51   6.181   5.615 -10.008
  758   2HB   GLU  51          2HB       GLU  51   7.914   5.687  -9.743
  759   1HG   GLU  51          1HG       GLU  51   8.271   4.023 -11.477
  760   2HG   GLU  51          2HG       GLU  51   6.531   3.896 -11.726
  761    H    ASP  52           H        ASP  52   7.358   1.637  -9.992
  762    HA   ASP  52           HA       ASP  52   9.496   0.609  -8.586
  763   1HB   ASP  52          1HB       ASP  52   8.619   0.094 -11.426
  764   2HB   ASP  52          2HB       ASP  52   9.857  -0.856 -10.614
  765    H    GLY  53           H        GLY  53   9.588   2.812 -11.315
  766   1HA   GLY  53          1HA       GLY  53  12.402   2.418 -11.791
  767   2HA   GLY  53          2HA       GLY  53  11.368   3.601 -12.564
  768    H    ARG  54           H        ARG  54  10.856   4.074  -9.349
  769    HA   ARG  54           HA       ARG  54  12.925   6.175  -9.295
  770   1HB   ARG  54          1HB       ARG  54  10.423   6.049  -7.604
  771   2HB   ARG  54          2HB       ARG  54  11.511   7.414  -7.796
  772   1HG   ARG  54          1HG       ARG  54   9.742   6.251  -9.932
  773   2HG   ARG  54          2HG       ARG  54   9.452   7.745  -9.040
  774   1HD   ARG  54          1HD       ARG  54  10.776   8.901 -10.411
  775   2HD   ARG  54          2HD       ARG  54  12.082   7.729 -10.236
  776    HE   ARG  54           HE       ARG  54   9.877   7.003 -12.010
  777   1HH1  ARG  54          1HH1      ARG  54  13.114   8.323 -11.716
  778   2HH1  ARG  54          2HH1      ARG  54  13.566   7.912 -13.339
  779   1HH2  ARG  54          1HH2      ARG  54  10.472   6.471 -14.150
  780   2HH2  ARG  54          2HH2      ARG  54  12.060   6.859 -14.729
  781    H    THR  55           H        THR  55  13.759   6.747  -7.098
  782    HA   THR  55           HA       THR  55  14.271   4.274  -5.590
  783    HB   THR  55           HB       THR  55  16.224   5.426  -4.650
  784    HG1  THR  55           HG1      THR  55  15.423   7.591  -6.347
  785   1HG2  THR  55          1HG2      THR  55  17.574   5.614  -6.699
  786   2HG2  THR  55          2HG2      THR  55  16.098   5.595  -7.664
  787   3HG2  THR  55          3HG2      THR  55  16.548   4.180  -6.711
  788    H    LEU  56           H        LEU  56  14.768   4.805  -3.169
  789    HA   LEU  56           HA       LEU  56  12.372   5.748  -2.000
  790   1HB   LEU  56          1HB       LEU  56  15.080   5.255  -0.750
  791   2HB   LEU  56          2HB       LEU  56  13.591   5.502   0.144
  792    HG   LEU  56           HG       LEU  56  13.935   3.238  -1.813
  793   1HD1  LEU  56          1HD1      LEU  56  14.349   3.123   1.166
  794   2HD1  LEU  56          2HD1      LEU  56  15.653   3.143  -0.022
  795   3HD1  LEU  56          3HD1      LEU  56  14.509   1.802   0.010
  796   1HD2  LEU  56          1HD2      LEU  56  11.642   3.802  -1.253
  797   2HD2  LEU  56          2HD2      LEU  56  12.022   3.719   0.468
  798   3HD2  LEU  56          3HD2      LEU  56  12.092   2.260  -0.523
  799    H    SER  57           H        SER  57  15.462   7.223  -2.684
  800    HA   SER  57           HA       SER  57  15.098   9.555  -1.105
  801   1HB   SER  57          1HB       SER  57  16.804   9.324  -3.589
  802   2HB   SER  57          2HB       SER  57  17.037  10.406  -2.216
  803    HG   SER  57           HG       SER  57  17.514   7.637  -2.416
  804    H    ASP  58           H        ASP  58  14.126   8.611  -4.324
  805    HA   ASP  58           HA       ASP  58  13.554  11.150  -5.402
  806   1HB   ASP  58          1HB       ASP  58  12.589   8.374  -6.009
  807   2HB   ASP  58          2HB       ASP  58  11.855   9.757  -6.810
  808    H    TYR  59           H        TYR  59  11.910   9.279  -3.032
  809    HA   TYR  59           HA       TYR  59   9.532  10.989  -3.308
  810   1HB   TYR  59          1HB       TYR  59   9.875   8.217  -2.187
  811   2HB   TYR  59          2HB       TYR  59   8.450   9.194  -1.844
  812    HD1  TYR  59           HD1      TYR  59   9.844   6.819  -4.026
  813    HD2  TYR  59           HD2      TYR  59   7.260  10.196  -3.961
  814    HE1  TYR  59           HE1      TYR  59   8.821   6.070  -6.132
  815    HE2  TYR  59           HE2      TYR  59   6.229   9.460  -6.066
  816    HH   TYR  59           HH       TYR  59   5.979   6.996  -7.216
  817    H    ASN  60           H        ASN  60  12.263  11.142  -1.761
  818    HA   ASN  60           HA       ASN  60  13.033  12.061   0.166
  819   1HB   ASN  60          1HB       ASN  60  11.300  13.788  -0.559
  820   2HB   ASN  60          2HB       ASN  60  10.226  13.074   0.636
  821   1HD2  ASN  60          1HD2      ASN  60  13.377  14.594   0.224
  822   2HD2  ASN  60          2HD2      ASN  60  13.458  15.280   1.809
  823    H    ILE  61           H        ILE  61  12.210   9.377   0.282
  824    HA   ILE  61           HA       ILE  61  10.784   9.026   2.782
  825    HB   ILE  61           HB       ILE  61  12.116   6.959   1.016
  826   1HG1  ILE  61          1HG1      ILE  61   9.175   7.617   1.275
  827   2HG1  ILE  61          2HG1      ILE  61  10.205   8.238  -0.008
  828   1HG2  ILE  61          1HG2      ILE  61  11.869   6.232   3.348
  829   2HG2  ILE  61          2HG2      ILE  61  10.822   5.318   2.261
  830   3HG2  ILE  61          3HG2      ILE  61  10.144   6.596   3.270
  831   1HD1  ILE  61          1HD1      ILE  61   9.616   5.334   0.514
  832   2HD1  ILE  61          2HD1      ILE  61  10.620   5.972  -0.788
  833   3HD1  ILE  61          3HD1      ILE  61   8.893   6.329  -0.750
  834    H    GLN  62           H        GLN  62  11.873   9.463   4.575
  835    HA   GLN  62           HA       GLN  62  14.736   9.127   4.744
  836   1HB   GLN  62          1HB       GLN  62  12.644  10.098   6.686
  837   2HB   GLN  62          2HB       GLN  62  14.330   9.894   7.141
  838   1HG   GLN  62          1HG       GLN  62  15.007  11.518   5.483
  839   2HG   GLN  62          2HG       GLN  62  13.340  11.690   4.937
  840   1HE2  GLN  62          1HE2      GLN  62  15.613  12.366   7.472
  841   2HE2  GLN  62          2HE2      GLN  62  14.653  13.543   8.298
  842    H    LYS  63           H        LYS  63  15.416   8.195   7.054
  843    HA   LYS  63           HA       LYS  63  14.841   5.409   6.919
  844   1HB   LYS  63          1HB       LYS  63  16.315   5.241   8.897
  845   2HB   LYS  63          2HB       LYS  63  17.045   6.170   7.595
  846   1HG   LYS  63          1HG       LYS  63  16.669   8.218   8.723
  847   2HG   LYS  63          2HG       LYS  63  15.619   7.443   9.910
  848   1HD   LYS  63          2HD       LYS  63  17.616   6.074  10.611
  849   2HD   LYS  63          1HD       LYS  63  18.598   7.136   9.598
  850   1HE   LYS  63          2HE       LYS  63  18.558   7.799  11.991
  851   2HE   LYS  63          1HE       LYS  63  17.972   9.051  10.899
  852   1HZ   LYS  63          1HZ       LYS  63  16.111   7.189  12.249
  853   2HZ   LYS  63          2HZ       LYS  63  15.781   8.698  11.551
  854   3HZ   LYS  63          3HZ       LYS  63  16.646   8.613  12.997
  855    H    GLU  64           H        GLU  64  13.831   4.101   8.434
  856    HA   GLU  64           HA       GLU  64  12.273   3.450   9.930
  857   1HB   GLU  64          1HB       GLU  64  13.147   6.037  11.145
  858   2HB   GLU  64          2HB       GLU  64  11.756   5.201  11.816
  859   1HG   GLU  64          1HG       GLU  64  13.374   4.293  13.114
  860   2HG   GLU  64          2HG       GLU  64  13.434   3.154  11.774
  861    H    SER  65           H        SER  65  11.598   5.253   7.524
  862    HA   SER  65           HA       SER  65   9.137   6.510   8.310
  863   1HB   SER  65          1HB       SER  65  10.205   5.885   5.543
  864   2HB   SER  65          2HB       SER  65   8.806   6.899   5.891
  865    HG   SER  65           HG       SER  65  11.530   7.404   6.279
  866    H    THR  66           H        THR  66   7.029   5.825   7.791
  867    HA   THR  66           HA       THR  66   6.785   2.921   7.570
  868    HB   THR  66           HB       THR  66   4.564   4.853   8.213
  869    HG1  THR  66           HG1      THR  66   6.052   3.479  10.190
  870   1HG2  THR  66          1HG2      THR  66   4.979   1.938   8.899
  871   2HG2  THR  66          2HG2      THR  66   3.932   2.546   7.617
  872   3HG2  THR  66          3HG2      THR  66   3.565   2.912   9.301
  873    H    LEU  67           H        LEU  67   6.514   2.154   5.592
  874    HA   LEU  67           HA       LEU  67   5.195   3.768   3.543
  875   1HB   LEU  67          1HB       LEU  67   6.491   1.048   3.301
  876   2HB   LEU  67          2HB       LEU  67   5.971   2.076   1.978
  877    HG   LEU  67           HG       LEU  67   8.185   2.769   3.915
  878   1HD1  LEU  67          1HD1      LEU  67   9.693   2.291   2.042
  879   2HD1  LEU  67          2HD1      LEU  67   8.323   1.713   1.095
  880   3HD1  LEU  67          3HD1      LEU  67   8.806   0.857   2.558
  881   1HD2  LEU  67          1HD2      LEU  67   7.083   4.720   2.958
  882   2HD2  LEU  67          2HD2      LEU  67   7.298   4.063   1.336
  883   3HD2  LEU  67          3HD2      LEU  67   8.704   4.531   2.292
  884    H    HIS  68           H        HIS  68   3.272   3.154   2.551
  885    HA   HIS  68           HA       HIS  68   1.718   1.180   4.056
  886   1HB   HIS  68          1HB       HIS  68   1.007   3.499   2.299
  887   2HB   HIS  68          2HB       HIS  68  -0.163   2.202   2.520
  888    HD1  HIS  68           HD1      HIS  68   1.446   5.056   4.286
  889    HD2  HIS  68           HD2      HIS  68  -1.262   2.019   5.113
  890    HE1  HIS  68           HE1      HIS  68   0.412   5.662   6.487
  891    HE2  HIS  68           HE2      HIS  68  -1.052   3.699   7.068
  892    H    LEU  69           H        LEU  69   1.873  -0.818   3.314
  893    HA   LEU  69           HA       LEU  69   2.198  -1.288   0.450
  894   1HB   LEU  69          1HB       LEU  69   3.649  -2.508   2.001
  895   2HB   LEU  69          2HB       LEU  69   2.244  -3.203   2.784
  896    HG   LEU  69           HG       LEU  69   1.689  -4.435   0.745
  897   1HD1  LEU  69          1HD1      LEU  69   4.129  -3.068  -0.369
  898   2HD1  LEU  69          2HD1      LEU  69   2.471  -2.969  -0.965
  899   3HD1  LEU  69          3HD1      LEU  69   3.371  -4.480  -1.104
  900   1HD2  LEU  69          1HD2      LEU  69   4.562  -4.782   1.591
  901   2HD2  LEU  69          2HD2      LEU  69   3.586  -5.980   0.743
  902   3HD2  LEU  69          3HD2      LEU  69   3.154  -5.490   2.381
  903    H    VAL  70           H        VAL  70   0.344  -1.149  -0.610
  904    HA   VAL  70           HA       VAL  70  -2.072  -2.295   0.571
  905    HB   VAL  70           HB       VAL  70  -1.755  -0.589  -1.900
  906   1HG1  VAL  70          1HG1      VAL  70  -4.209  -1.597  -0.472
  907   2HG1  VAL  70          2HG1      VAL  70  -3.706  -1.961  -2.122
  908   3HG1  VAL  70          3HG1      VAL  70  -4.228  -0.330  -1.699
  909   1HG2  VAL  70          1HG2      VAL  70  -2.699   0.114   0.873
  910   2HG2  VAL  70          2HG2      VAL  70  -2.766   1.187  -0.523
  911   3HG2  VAL  70          3HG2      VAL  70  -1.207   0.652   0.107
  912    H    LEU  71           H        LEU  71  -2.401  -4.358   0.144
  913    HA   LEU  71           HA       LEU  71  -1.337  -5.625  -2.214
  914   1HB   LEU  71          1HB       LEU  71  -2.847  -6.539   0.202
  915   2HB   LEU  71          2HB       LEU  71  -2.815  -7.570  -1.216
  916    HG   LEU  71           HG       LEU  71  -0.286  -7.459  -1.099
  917   1HD1  LEU  71          1HD1      LEU  71   0.720  -6.829   1.014
  918   2HD1  LEU  71          2HD1      LEU  71  -0.856  -6.360   1.650
  919   3HD1  LEU  71          3HD1      LEU  71  -0.139  -5.456   0.317
  920   1HD2  LEU  71          1HD2      LEU  71  -1.793  -8.687   1.204
  921   2HD2  LEU  71          2HD2      LEU  71  -0.162  -9.128   0.697
  922   3HD2  LEU  71          3HD2      LEU  71  -1.526  -9.413  -0.382
  923    H    ARG  72           H        ARG  72  -2.366  -4.805  -3.988
  924    HA   ARG  72           HA       ARG  72  -5.282  -4.792  -4.010
  925   1HB   ARG  72          1HB       ARG  72  -4.047  -2.805  -4.835
  926   2HB   ARG  72          2HB       ARG  72  -3.357  -3.798  -6.113
  927   1HG   ARG  72          1HG       ARG  72  -5.598  -4.208  -7.003
  928   2HG   ARG  72          2HG       ARG  72  -6.283  -3.202  -5.722
  929   1HD   ARG  72          1HD       ARG  72  -6.101  -1.922  -7.759
  930   2HD   ARG  72          2HD       ARG  72  -4.971  -1.294  -6.563
  931    HE   ARG  72           HE       ARG  72  -3.874  -3.233  -8.416
  932   1HH1  ARG  72          1HH1      ARG  72  -4.406   0.156  -7.676
  933   2HH1  ARG  72          2HH1      ARG  72  -3.132   0.709  -8.724
  934   1HH2  ARG  72          1HH2      ARG  72  -2.210  -2.519  -9.787
  935   2HH2  ARG  72          2HH2      ARG  72  -1.878  -0.822  -9.926
  936    H    LEU  73           H        LEU  73  -6.053  -6.772  -4.341
  937    HA   LEU  73           HA       LEU  73  -4.902  -8.416  -6.473
  938   1HB   LEU  73          1HB       LEU  73  -6.781  -9.030  -4.202
  939   2HB   LEU  73          2HB       LEU  73  -6.507 -10.159  -5.511
  940    HG   LEU  73           HG       LEU  73  -3.972  -9.814  -4.813
  941   1HD1  LEU  73          1HD1      LEU  73  -4.451  -8.124  -3.108
  942   2HD1  LEU  73          2HD1      LEU  73  -3.725  -9.571  -2.403
  943   3HD1  LEU  73          3HD1      LEU  73  -5.459  -9.284  -2.244
  944   1HD2  LEU  73          1HD2      LEU  73  -5.182 -11.940  -4.844
  945   2HD2  LEU  73          2HD2      LEU  73  -5.901 -11.555  -3.279
  946   3HD2  LEU  73          3HD2      LEU  73  -4.159 -11.798  -3.416
  947    H    ARG  74           H        ARG  74  -6.947  -9.884  -7.362
  948    HA   ARG  74           HA       ARG  74  -8.710  -7.872  -8.584
  949   1HB   ARG  74          1HB       ARG  74  -7.399 -10.332  -9.601
  950   2HB   ARG  74          2HB       ARG  74  -9.025 -10.021 -10.187
  951   1HG   ARG  74          1HG       ARG  74  -7.371  -9.129 -11.712
  952   2HG   ARG  74          2HG       ARG  74  -8.324  -7.828 -10.998
  953   1HD   ARG  74          1HD       ARG  74  -5.952  -7.248 -11.093
  954   2HD   ARG  74          2HD       ARG  74  -6.521  -7.354  -9.429
  955    HE   ARG  74           HE       ARG  74  -5.520  -9.807  -9.813
  956   1HH1  ARG  74          1HH1      ARG  74  -4.195  -6.637 -10.517
  957   2HH1  ARG  74          2HH1      ARG  74  -2.547  -7.150 -10.315
  958   1HH2  ARG  74          1HH2      ARG  74  -3.344 -10.466  -9.530
  959   2HH2  ARG  74          2HH2      ARG  74  -2.063  -9.306  -9.757
  960    H    GLY  75           H        GLY  75 -10.114  -7.973  -6.729
  961   1HA   GLY  75          1HA       GLY  75 -12.257  -9.820  -7.108
  962   2HA   GLY  75          2HA       GLY  75 -11.347 -10.173  -5.644
  963    H    GLY  76           H        GLY  76 -13.989  -9.500  -5.440
  964   1HA   GLY  76          1HA       GLY  76 -14.849  -8.109  -3.643
  965   2HA   GLY  76          2HA       GLY  76 -13.807  -6.817  -4.222