*HEADER    ANTIMICROBIAL PROTEIN                   10-SEP-14   2MUH              
*TITLE     HIGH-RESOLUTION NMR STRUCTURE OF THE PROTEGRIN-2 DOCKED TO DPC        
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEGRIN-2;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 131-146;                                      
*COMPND   5 SYNONYM: PG-2;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   4 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR;                               
*SOURCE   5 ORGANISM_TAXID: 9823;                                                
*SOURCE   6 OTHER_DETAILS: SOLID-PHASE PEPTIDE SYNTHESIS USING AMINO ACIDS       
*SOURCE   7 PROTECTED BY THE 9-UORENYLMETHOXYCARBONYL GROUP AND WITH REACTION    
*SOURCE   8 MIXTURE CONDUCTIVITY CONTROL.                                        
*KEYWDS    PROTEGRIN, ANTIMICROBIAL PROTEIN                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.V.FILIPPOV, S.V.EFIMOV, V.V.KLOCHKOV, O.N.ANTZUTKIN                 
*REVDAT   1   10-DEC-14 2MUH    0                                                


!-----------------------NH-HA----------------------------------------
assign (resid    1 and  name HA   )(resid    2 and  name HN   ) 2.50 2.50 1.00
assign (resid    2 and  name HA#  )(resid    3 and  name HN   ) 2.50 2.50 1.00
assign (resid    3 and  name HA#  )(resid    4 and  name HN   ) 2.50 2.50 1.00
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 2.50 2.50 1.00
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 2.50 0.50 0.50
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.50 0.50 0.50
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 4.00 4.00 0.00
assign (resid    8 and  name HA   )(resid    7 and  name HN   ) 4.50 4.50 1.00
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.50 2.50 1.00
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 2.50 0.50 0.50
assign (resid   14 and  name HA   )(resid   15 and  name HN   ) 2.50 0.50 0.50
assign (resid    8 and  name HA   )(resid   14 and  name HN   ) 3.50 3.50 1.00
assign (resid   15 and  name HA   )(resid   14 and  name HN   ) 5.00 5.00 0.00
assign (resid    3 and  name HN   )(resid    2 and  name HN   ) 4.50 4.50 1.00
assign (resid    5 and  name HN   )(resid   16 and  name HN   ) 2.50 0.50 0.50
assign (resid    7 and  name HN   )(resid   14 and  name HN   ) 2.50 2.50 1.00
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.50 4.50 1.00
assign (resid    1 and  name HB#  )(resid    2 and  name HN   ) 3.50 3.50 1.00
assign (resid    6 and  name HB2  )(resid    7 and  name HN   ) 3.50 3.50 1.00
assign (resid   11 and  name HB1  )(resid    12 and  name HN  ) 4.50 4.50 1.00
assign (resid    6 and  name HB1  )(resid    14 and  name HN  ) 5.00 5.00 0.00
assign (resid    6 and  name HB2  )(resid    14 and  name HN  ) 4.50 4.50 1.00
assign (resid    1 and  name HG#  )(resid    2 and  name HN   ) 2.50 2.50 1.00
assign (resid    3 and  name HN   )(resid    4 and  name HE   ) 5.00 5.00 0.00
assign (resid    4 and  name HD#  )(resid    3 and  name HN   ) 4.50 4.50 1.00
assign (resid    5 and  name HN   )(resid   16 and  name HG#  ) 5.00 5.00 0.00
assign (resid    8 and  name HN   )(resid    7 and  name HD#  ) 5.00 5.00 0.00
assign (resid   11 and  name HN   )(resid   10 and  name HG#  ) 3.50 3.50 1.00
assign (resid   14 and  name HG#  )(resid   12 and  name HN   ) 5.00 5.00 0.00
assign (resid   16 and  name HN   )(resid    5 and  name HG#  ) 3.50 3.50 1.00
assign (resid    3 and  name HA#  )(resid    4 and  name HD#  ) 4.50 4.50 1.00
assign (resid    5 and  name HD#  )(resid    7 and  name HE#  ) 2.50 2.50 1.00
assign (resid    5 and  name HG#  )(resid    7 and  name HD#  ) 3.50 3.50 1.00
assign (resid    5 and  name HG#  )(resid    7 and  name HE#  ) 3.50 3.50 1.00
assign (resid   12 and  name HB#  )(resid   14 and  name HG#  ) 3.50 3.50 1.00
assign (resid    7 and  name HB#  )(resid   14 and  name HG#  ) 3.50 3.50 1.00
assign (resid    7 and  name HA   )(resid    6 and  name HB#  ) 4.50 4.50 1.00
assign (resid    6 and  name HA   )(resid    7 and  name HD#  ) 3.50 3.50 1.00
assign (resid   16 and  name HA   )(resid    7 and  name HE#  ) 2.50 2.50 1.00
assign (resid    7 and  name HE#  )(resid    9 and  name HG#  ) 5.00 5.00 0.00
assign (resid    7 and  name HE#  )(resid    9 and  name HD#  ) 2.50 2.50 1.00
assign (resid    7 and  name HD#  )(resid    9 and  name HD#  ) 2.50 2.50 1.00
assign (resid    7 and  name HD#  )(resid   14 and  name HG#  ) 3.50 3.50 1.00
assign (resid    7 and  name HE#  )(resid   16 and  name HG#  ) 2.50 2.50 1.00
assign (resid    6 and  name HA   )(resid    7 and  name HE#  ) 4.00 4.00 1.00
assign (resid   13 and  name HA#  )(resid   14 and  name HG#  ) 3.50 3.50 1.00
assign (resid   14 and  name HA   )(resid   13 and  name HB2  ) 4.50 4.50 1.00
assign (resid   14 and  name HA   )(resid   13 and  name HB1  ) 3.50 3.50 1.00
assign (resid    1 and  name HA   )(resid    1 and  name HD#  ) 3.50 3.50 1.00
assign (resid    1 and  name HE   )(resid    1 and  name HD#  ) 3.50 3.50 1.00
assign (resid    1 and  name HB#  )(resid    1 and  name HE   ) 2.50 2.50 1.00
assign (resid    1 and  name HA   )(resid    1 and  name HG#  ) 3.50 3.50 1.00
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 4.50 4.50 1.00
assign (resid    1 and  name HB#  )(resid    1 and  name HG#  ) 4.50 4.50 1.00
assign (resid    1 and  name HD#  )(resid    1 and  name HB#  ) 4.50 4.50 1.00
assign (resid    1 and  name HD#  )(resid    1 and  name HG#  ) 4.50 4.50 1.00
assign (resid    1 and  name HE   )(resid    1 and  name HG#  ) 3.50 3.50 1.00
assign (resid    2 and  name HA#  )(resid    2 and  name HN   ) 3.50 3.50 1.00
assign (resid    3 and  name HA#  )(resid    3 and  name HN   ) 3.50 3.50 1.00
assign (resid    4 and  name HA   )(resid    4 and  name HD#  ) 3.50 3.50 1.00
assign (resid    4 and  name HA   )(resid    4 and  name HN   ) 3.50 3.50 1.00
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 4.50 4.50 1.00
assign (resid    4 and  name HA   )(resid    4 and  name HG#  ) 4.50 4.50 1.00
assign (resid    4 and  name HB#  )(resid    4 and  name HE   ) 4.50 4.50 1.00
assign (resid    4 and  name HB#  )(resid    4 and  name HN   ) 4.50 4.50 1.00
assign (resid    4 and  name HD#  )(resid    4 and  name HB#  ) 4.50 4.50 1.00
assign (resid    4 and  name HD#  )(resid    4 and  name HG#  ) 4.50 4.50 1.00
assign (resid    4 and  name HD#  )(resid    4 and  name HN   ) 4.50 4.50 1.00
assign (resid    4 and  name HE   )(resid    4 and  name HA   ) 4.50 4.50 1.00
assign (resid    4 and  name HE   )(resid    4 and  name HD#  ) 4.50 4.50 1.00
assign (resid    4 and  name HG#  )(resid    4 and  name HE   ) 4.50 4.50 1.00
assign (resid    4 and  name HG#  )(resid    4 and  name HN   ) 4.50 4.50 1.00
assign (resid    5 and  name HA   )(resid    5 and  name HN   ) 3.50 3.50 1.00
assign (resid    5 and  name HD#  )(resid    5 and  name HB#  ) 3.50 3.50 1.00
assign (resid    5 and  name HA   )(resid    5 and  name HD#  ) 4.50 4.50 1.00
assign (resid    5 and  name HA   )(resid    5 and  name HG   ) 4.50 4.50 1.00
assign (resid    5 and  name HB#  )(resid    5 and  name HN   ) 4.50 4.50 1.00
assign (resid    5 and  name HD#  )(resid    5 and  name HG   ) 4.50 4.50 1.00
assign (resid    5 and  name HD#  )(resid    5 and  name HN   ) 4.50 4.50 1.00
assign (resid    5 and  name HN   )(resid    5 and  name HG   ) 4.50 4.50 1.00
assign (resid    6 and  name HA   )(resid    6 and  name HN   ) 3.50 3.50 1.00
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 4.50 4.50 1.00
assign (resid    6 and  name HA   )(resid    6 and  name HB2  ) 4.50 4.50 1.00
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 4.50 4.50 1.00
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 4.50 4.50 1.00
assign (resid    7 and  name HN   )(resid    7 and  name HD#  ) 2.50 2.50 1.00
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 3.50 3.50 1.00
assign (resid    7 and  name HA   )(resid    7 and  name HN   ) 3.50 3.50 1.00
assign (resid    7 and  name HB#  )(resid    7 and  name HD#  ) 3.50 3.50 1.00
assign (resid    7 and  name HB#  )(resid    7 and  name HE#  ) 3.50 3.50 1.00
assign (resid    7 and  name HD#  )(resid    7 and  name HE#  ) 4.50 4.50 1.00
assign (resid    7 and  name HD#  )(resid    7 and  name HN   ) 4.50 4.50 1.00
assign (resid    7 and  name HE#  )(resid    7 and  name HB#  ) 4.50 4.50 1.00
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 4.50 4.50 1.00
assign (resid    7 and  name HA   )(resid    7 and  name HD#  ) 3.50 3.50 1.00
assign (resid    7 and  name HA   )(resid    7 and  name HE#  ) 3.50 3.50 1.00
assign (resid    7 and  name HN   )(resid    7 and  name HE#  ) 5.00 5.00 0.00
assign (resid    8 and  name HA   )(resid    8 and  name HN   ) 3.50 3.50 1.00
assign (resid    8 and  name HB1  )(resid    8 and  name HN   ) 3.50 3.50 1.00
assign (resid    8 and  name HA   )(resid    8 and  name HB1  ) 4.50 4.50 1.00
assign (resid    8 and  name HA   )(resid    8 and  name HB2  ) 4.50 4.50 1.00
assign (resid    8 and  name HN   )(resid    8 and  name HB2  ) 4.50 4.50 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HE   ) 2.50 2.50 1.00
assign (resid    9 and  name HB#  )(resid    9 and  name HE   ) 2.50 2.50 1.00
assign (resid    9 and  name HB#  )(resid    9 and  name HN   ) 2.50 2.50 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HD#  ) 3.50 3.50 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HN   ) 3.50 3.50 1.00
assign (resid    9 and  name HB#  )(resid    9 and  name HD#  ) 3.50 3.50 1.00
assign (resid    9 and  name HG#  )(resid    9 and  name HE   ) 3.50 3.50 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HB#  ) 4.50 4.50 1.00
assign (resid    9 and  name HA   )(resid    9 and  name HG#  ) 4.50 4.50 1.00
assign (resid    9 and  name HE   )(resid    9 and  name HD#  ) 4.50 4.50 1.00
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 4.50 4.50 1.00
assign (resid    9 and  name HN   )(resid    9 and  name HG#  ) 4.50 4.50 1.00
assign (resid    9 and  name HD#  )(resid    9 and  name HG#  ) 3.50 3.50 1.00
assign (resid   10 and  name HA   )(resid   10 and  name HE   ) 2.50 2.50 1.00
assign (resid   10 and  name HB#  )(resid   10 and  name HD#  ) 2.50 2.50 1.00
assign (resid   10 and  name HD#  )(resid   10 and  name HN   ) 2.50 2.50 1.00
assign (resid   10 and  name HB#  )(resid   10 and  name HN   ) 2.50 2.50 1.00
assign (resid   10 and  name HD#  )(resid   10 and  name HN   ) 2.50 2.50 1.00
assign (resid   10 and  name HG#  )(resid   10 and  name HN   ) 2.50 2.50 1.00
assign (resid   10 and  name HA   )(resid   10 and  name HN   ) 2.50 0.50 0.50
assign (resid   10 and  name HB#  )(resid   10 and  name HE   ) 3.50 3.50 1.00
assign (resid   10 and  name HD#  )(resid   10 and  name HE   ) 3.50 3.50 1.00
assign (resid   10 and  name HE   )(resid   10 and  name HG#  ) 3.50 3.50 1.00
assign (resid   10 and  name HA   )(resid   10 and  name HB#  ) 4.50 4.50 1.00
assign (resid   10 and  name HB#  )(resid   10 and  name HG#  ) 4.50 4.50 1.00
assign (resid   10 and  name HE   )(resid   10 and  name HD#  ) 4.50 4.50 1.00
assign (resid   10 and  name HG#  )(resid   10 and  name HA   ) 4.50 4.50 1.00
assign (resid   10 and  name HD#  )(resid   10 and  name HG#  ) 3.50 3.50 1.00
assign (resid   11 and  name HA   )(resid   11 and  name HG#  ) 3.50 3.50 1.00
assign (resid   11 and  name HA   )(resid   11 and  name HN   ) 3.50 3.50 1.00
assign (resid   11 and  name HD#  )(resid   11 and  name HN   ) 3.50 3.50 1.00
assign (resid   11 and  name HG#  )(resid   11 and  name HN   ) 3.50 3.50 1.00
assign (resid   11 and  name HE   )(resid   11 and  name HN   ) 3.50 3.50 1.00
assign (resid   11 and  name HB1  )(resid   11 and  name HE   ) 3.50 3.50 1.00
assign (resid   11 and  name HE   )(resid   11 and  name HA   ) 3.50 3.50 1.00
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 4.50 4.50 1.00
assign (resid   11 and  name HA   )(resid   11 and  name HD#  ) 4.50 4.50 1.00
assign (resid   11 and  name HB1  )(resid   11 and  name HN   ) 4.50 4.50 1.00
assign (resid   11 and  name HB2  )(resid   11 and  name HE   ) 4.50 4.50 1.00
assign (resid   11 and  name HB2  )(resid   11 and  name HG#  ) 4.50 4.50 1.00
assign (resid   11 and  name HB2  )(resid   11 and  name HN   ) 4.50 4.50 1.00
assign (resid   11 and  name HD#  )(resid   11 and  name HB2  ) 4.50 4.50 1.00
assign (resid   11 and  name HD#  )(resid   11 and  name HE   ) 4.50 4.50 1.00
assign (resid   11 and  name HD#  )(resid   11 and  name HG#  ) 4.50 4.50 1.00
assign (resid   11 and  name HG#  )(resid   11 and  name HE   ) 4.50 4.50 1.00
assign (resid   12 and  name HA#  )(resid   12 and  name HN   ) 2.50 2.50 1.00
assign (resid   12 and  name HB1  )(resid   12 and  name HB2  ) 4.50 4.50 1.00
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 4.50 4.50 1.00
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 4.50 4.50 1.00
assign (resid   13 and  name HA#  )(resid   13 and  name HB1  ) 4.50 4.50 1.00
assign (resid   13 and  name HA#  )(resid   13 and  name HB2  ) 4.50 4.50 1.00
assign (resid   13 and  name HA#  )(resid   13 and  name HN   ) 4.50 4.50 1.00
assign (resid   13 and  name HB1  )(resid   13 and  name HB2  ) 4.50 4.50 1.00
assign (resid   13 and  name HB1  )(resid   13 and  name HN   ) 4.50 4.50 1.00
assign (resid   13 and  name HN   )(resid   13 and  name HB2  ) 4.50 4.50 1.00
assign (resid   14 and  name HA   )(resid   14 and  name HN   ) 2.50 2.50 1.00
assign (resid   14 and  name HA   )(resid   14 and  name HB#  ) 3.50 3.50 1.00
assign (resid   14 and  name HB#  )(resid   14 and  name HN   ) 3.50 3.50 1.00
assign (resid   14 and  name HA   )(resid   14 and  name HG#  ) 4.50 4.50 1.00
assign (resid   14 and  name HB#  )(resid   14 and  name HG#  ) 4.50 4.50 1.00
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.50 4.50 1.00
assign (resid   15 and  name HA   )(resid   15 and  name HB1  ) 4.50 4.50 1.00
assign (resid   15 and  name HA   )(resid   15 and  name HB2  ) 4.50 4.50 1.00
assign (resid   15 and  name HA   )(resid   15 and  name HN   ) 4.50 4.50 1.00
assign (resid   15 and  name HB1  )(resid   15 and  name HN   ) 4.50 4.50 1.00
assign (resid   15 and  name HB2  )(resid   15 and  name HN   ) 4.50 4.50 1.00
assign (resid   16 and  name HA   )(resid   16 and  name HB   ) 3.50 3.50 1.00
assign (resid   16 and  name HA   )(resid   16 and  name HN   ) 3.50 3.50 1.00
assign (resid   16 and  name HB   )(resid   16 and  name HN   ) 3.50 3.50 1.00
assign (resid   16 and  name HA   )(resid   16 and  name HG#  ) 4.50 4.50 1.00
assign (resid   16 and  name HB   )(resid   16 and  name HG#  ) 4.50 4.50 1.00
assign (resid   16 and  name HN   )(resid   16 and  name HG#  ) 4.50 4.50 1.00
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  20.350   3.559   2.874
    2    H2   ARG   1           HT2      ARG   1  20.028   5.138   2.332
    3    H3   ARG   1           HT3      ARG   1  21.474   4.798   3.158
    4    HA   ARG   1           HA       ARG   1  21.055   4.775   0.426
    5    HB2  ARG   1           HB2      ARG   1  23.133   5.220   1.917
    6    HB3  ARG   1           HB1      ARG   1  23.384   3.478   1.837
    7    HG2  ARG   1           HG2      ARG   1  24.588   4.057  -0.036
    8    HG3  ARG   1           HG1      ARG   1  22.997   3.958  -0.788
    9    HD2  ARG   1           HD2      ARG   1  24.298   6.478   0.288
   10    HD3  ARG   1           HD1      ARG   1  24.121   6.055  -1.413
   11    HE   ARG   1           HE       ARG   1  22.043   7.059   0.351
   12   HH11  ARG   1          HH21      ARG   1  22.855   5.375  -2.562
   13   HH12  ARG   1          HH22      ARG   1  21.340   5.704  -3.336
   14   HH21  ARG   1          HH11      ARG   1  20.054   7.489  -0.655
   15   HH22  ARG   1          HH12      ARG   1  19.754   6.900  -2.256
   16    H    GLY   2           HN       GLY   2  21.421   3.097  -1.132
   17    HA2  GLY   2           HA2      GLY   2  21.339   0.940  -1.983
   18    HA3  GLY   2           HA1      GLY   2  21.431   0.325  -0.335
   19    H    GLY   3           HN       GLY   3  19.682  -0.743   0.313
   20    HA2  GLY   3           HA2      GLY   3  17.029   0.272  -0.011
   21    HA3  GLY   3           HA1      GLY   3  17.335  -1.079  -1.099
   22    H    ARG   4           HN       ARG   4  15.677  -0.638   1.460
   23    HA   ARG   4           HA       ARG   4  15.998  -3.291   2.483
   24    HB2  ARG   4           HB2      ARG   4  17.866  -2.298   3.683
   25    HB3  ARG   4           HB1      ARG   4  16.839  -0.981   4.248
   26    HG2  ARG   4           HG2      ARG   4  15.524  -2.456   5.596
   27    HG3  ARG   4           HG1      ARG   4  16.228  -3.883   4.837
   28    HD2  ARG   4           HD2      ARG   4  17.967  -1.906   6.302
   29    HD3  ARG   4           HD1      ARG   4  17.111  -3.172   7.177
   30    HE   ARG   4           HE       ARG   4  19.452  -3.515   5.576
   31   HH11  ARG   4          HH21      ARG   4  16.446  -4.965   6.488
   32   HH12  ARG   4          HH22      ARG   4  16.998  -6.590   6.251
   33   HH21  ARG   4          HH11      ARG   4  20.184  -5.643   5.262
   34   HH22  ARG   4          HH12      ARG   4  19.114  -6.973   5.557
   35    H    LEU   5           HN       LEU   5  13.844  -3.642   2.282
   36    HA   LEU   5           HA       LEU   5  12.088  -2.540   4.256
   37    HB2  LEU   5           HB2      LEU   5  10.570  -1.335   2.846
   38    HB3  LEU   5           HB1      LEU   5  12.180  -0.689   2.541
   39    HG   LEU   5           HG       LEU   5  10.715  -2.724   0.830
   40   HD11  LEU   5          HD11      LEU   5  11.386   0.205   0.515
   41   HD12  LEU   5          HD12      LEU   5   9.802  -0.569   0.411
   42   HD13  LEU   5          HD13      LEU   5  10.993  -0.821  -0.864
   43   HD21  LEU   5          HD21      LEU   5  12.754  -2.152  -0.706
   44   HD22  LEU   5          HD22      LEU   5  12.984  -3.311   0.600
   45   HD23  LEU   5          HD23      LEU   5  13.532  -1.646   0.794
   46    H    CYS   6           HN       CYS   6  10.056  -3.607   4.312
   47    HA   CYS   6           HA       CYS   6   9.980  -6.054   2.656
   48    HB2  CYS   6           HB2      CYS   6   9.999  -5.773   5.461
   49    HB3  CYS   6           HB1      CYS   6   8.367  -6.275   5.032
   50    H    TYR   7           HN       TYR   7   8.486  -6.011   1.170
   51    HA   TYR   7           HA       TYR   7   6.216  -4.227   1.324
   52    HB2  TYR   7           HB2      TYR   7   7.172  -6.245  -0.706
   53    HB3  TYR   7           HB1      TYR   7   5.626  -5.410  -0.872
   54    HD1  TYR   7           HD1      TYR   7   5.532  -2.969  -1.144
   55    HD2  TYR   7           HD2      TYR   7   9.268  -5.068  -0.946
   56    HE1  TYR   7           HE1      TYR   7   6.697  -0.970  -2.021
   57    HE2  TYR   7           HE2      TYR   7  10.438  -3.074  -1.824
   58    HH   TYR   7           HH       TYR   7   8.715  -0.346  -3.106
   59    H    CYS   8           HN       CYS   8   4.069  -4.798   1.576
   60    HA   CYS   8           HA       CYS   8   3.542  -7.595   2.383
   61    HB2  CYS   8           HB2      CYS   8   2.736  -5.012   3.669
   62    HB3  CYS   8           HB1      CYS   8   1.695  -6.426   3.828
   63    H    ARG   9           HN       ARG   9   2.333  -8.528   0.896
   64    HA   ARG   9           HA       ARG   9   0.120  -6.981  -0.319
   65    HB2  ARG   9           HB2      ARG   9   2.238  -7.845  -1.733
   66    HB3  ARG   9           HB1      ARG   9   1.271  -9.317  -1.774
   67    HG2  ARG   9           HG2      ARG   9   0.369  -8.275  -3.620
   68    HG3  ARG   9           HG1      ARG   9  -0.668  -7.555  -2.389
   69    HD2  ARG   9           HD2      ARG   9   1.597  -6.334  -3.913
   70    HD3  ARG   9           HD1      ARG   9   0.041  -5.638  -3.476
   71    HE   ARG   9           HE       ARG   9   1.208  -5.860  -1.068
   72   HH11  ARG   9          HH21      ARG   9   2.382  -4.730  -4.123
   73   HH12  ARG   9          HH22      ARG   9   3.492  -3.595  -3.430
   74   HH21  ARG   9          HH11      ARG   9   2.662  -4.376  -0.156
   75   HH22  ARG   9          HH12      ARG   9   3.652  -3.394  -1.186
   76    H    ARG  10           HN       ARG  10  -1.857  -7.823  -0.066
   77    HA   ARG  10           HA       ARG  10  -3.541  -9.227   0.604
   78    HB2  ARG  10           HB2      ARG  10  -1.601 -11.350  -0.346
   79    HB3  ARG  10           HB1      ARG  10  -3.314 -11.603  -0.012
   80    HG2  ARG  10           HG2      ARG  10  -3.748  -9.702  -1.691
   81    HG3  ARG  10           HG1      ARG  10  -2.067  -9.916  -2.183
   82    HD2  ARG  10           HD2      ARG  10  -3.248 -11.320  -3.655
   83    HD3  ARG  10           HD1      ARG  10  -2.669 -12.427  -2.415
   84    HE   ARG  10           HE       ARG  10  -5.444 -11.487  -2.752
   85   HH11  ARG  10          HH21      ARG  10  -3.088 -13.437  -1.113
   86   HH12  ARG  10          HH22      ARG  10  -4.266 -14.433  -0.329
   87   HH21  ARG  10          HH11      ARG  10  -6.981 -12.793  -1.723
   88   HH22  ARG  10          HH12      ARG  10  -6.466 -14.071  -0.672
   89    H    ARG  11           HN       ARG  11  -1.904 -12.031   1.380
   90    HA   ARG  11           HA       ARG  11  -1.805 -11.291   4.248
   91    HB2  ARG  11           HB2      ARG  11  -3.144 -13.479   2.839
   92    HB3  ARG  11           HB1      ARG  11  -2.110 -14.062   4.140
   93    HG2  ARG  11           HG2      ARG  11  -4.282 -13.645   5.091
   94    HG3  ARG  11           HG1      ARG  11  -3.215 -12.360   5.656
   95    HD2  ARG  11           HD2      ARG  11  -5.308 -11.363   4.932
   96    HD3  ARG  11           HD1      ARG  11  -4.049 -10.919   3.785
   97    HE   ARG  11           HE       ARG  11  -5.098 -12.252   2.170
   98   HH11  ARG  11          HH21      ARG  11  -6.458 -12.697   5.320
   99   HH12  ARG  11          HH22      ARG  11  -7.835 -13.582   4.751
  100   HH21  ARG  11          HH11      ARG  11  -6.904 -13.408   1.416
  101   HH22  ARG  11          HH12      ARG  11  -8.088 -13.982   2.541
  102    H    PHE  12           HN       PHE  12   0.355 -11.223   2.183
  103    HA   PHE  12           HA       PHE  12   2.314 -12.749   3.728
  104    HB2  PHE  12           HB2      PHE  12   3.270 -13.865   1.822
  105    HB3  PHE  12           HB1      PHE  12   1.548 -14.243   1.856
  106    HD1  PHE  12           HD1      PHE  12   4.174 -12.248   0.184
  107    HD2  PHE  12           HD2      PHE  12   0.034 -13.394   0.170
  108    HE1  PHE  12           HE1      PHE  12   3.921 -11.305  -2.095
  109    HE2  PHE  12           HE2      PHE  12  -0.219 -12.451  -2.111
  110    HZ   PHE  12           HZ       PHE  12   1.725 -11.407  -3.244
  111    H    CYS  13           HN       CYS  13   4.387 -11.903   3.644
  112    HA   CYS  13           HA       CYS  13   4.726  -9.423   2.063
  113    HB2  CYS  13           HB2      CYS  13   5.758  -9.882   4.870
  114    HB3  CYS  13           HB1      CYS  13   5.871  -8.396   3.928
  115    H    VAL  14           HN       VAL  14   7.077  -8.784   1.893
  116    HA   VAL  14           HA       VAL  14   8.987 -10.979   2.081
  117    HB   VAL  14           HB       VAL  14   7.881 -11.399  -0.081
  118   HG11  VAL  14          HG11      VAL  14   7.260  -8.973  -0.441
  119   HG12  VAL  14          HG12      VAL  14   7.949  -9.769  -1.856
  120   HG13  VAL  14          HG13      VAL  14   8.940  -8.677  -0.888
  121   HG21  VAL  14          HG21      VAL  14  10.623 -10.216  -0.572
  122   HG22  VAL  14          HG22      VAL  14   9.887 -11.614  -1.357
  123   HG23  VAL  14          HG23      VAL  14  10.396 -11.715   0.329
  124    H    CYS  15           HN       CYS  15  11.099 -10.306   2.130
  125    HA   CYS  15           HA       CYS  15  11.520  -7.392   2.235
  126    HB2  CYS  15           HB2      CYS  15  12.762  -9.736   3.600
  127    HB3  CYS  15           HB1      CYS  15  13.765  -8.315   3.317
  128    H    VAL  16           HN       VAL  16  13.268  -6.419   1.182
  129    HA   VAL  16           HA       VAL  16  14.488  -6.052  -0.749
  130    HB   VAL  16           HB       VAL  16  15.701  -8.717   0.004
  131   HG11  VAL  16          HG11      VAL  16  16.424  -7.679  -2.146
  132   HG12  VAL  16          HG12      VAL  16  17.727  -7.744  -0.959
  133   HG13  VAL  16          HG13      VAL  16  16.882  -6.225  -1.260
  134   HG21  VAL  16          HG21      VAL  16  16.245  -5.943   1.112
  135   HG22  VAL  16          HG22      VAL  16  17.185  -7.390   1.481
  136   HG23  VAL  16          HG23      VAL  16  15.502  -7.276   1.995
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  23.644  -4.491  -2.720
    2    H2   ARG   1           HT2      ARG   1  22.459  -4.919  -3.859
    3    H3   ARG   1           HT3      ARG   1  23.157  -6.110  -2.869
    4    HA   ARG   1           HA       ARG   1  20.833  -5.269  -2.271
    5    HB2  ARG   1           HB2      ARG   1  22.346  -6.678  -0.839
    6    HB3  ARG   1           HB1      ARG   1  23.010  -5.191  -0.161
    7    HG2  ARG   1           HG2      ARG   1  20.696  -4.531   0.529
    8    HG3  ARG   1           HG1      ARG   1  20.122  -6.102  -0.030
    9    HD2  ARG   1           HD2      ARG   1  20.565  -6.085   2.415
   10    HD3  ARG   1           HD1      ARG   1  21.581  -7.243   1.562
   11    HE   ARG   1           HE       ARG   1  23.434  -5.971   2.155
   12   HH11  ARG   1          HH21      ARG   1  20.501  -4.187   2.588
   13   HH12  ARG   1          HH22      ARG   1  21.268  -2.854   3.385
   14   HH21  ARG   1          HH11      ARG   1  24.446  -4.227   3.199
   15   HH22  ARG   1          HH12      ARG   1  23.500  -2.876   3.732
   16    H    GLY   2           HN       GLY   2  19.915  -3.330  -2.606
   17    HA2  GLY   2           HA2      GLY   2  21.291  -0.862  -1.869
   18    HA3  GLY   2           HA1      GLY   2  19.767  -0.994  -2.741
   19    H    GLY   3           HN       GLY   3  18.256   0.030  -1.599
   20    HA2  GLY   3           HA2      GLY   3  18.335   0.318   1.247
   21    HA3  GLY   3           HA1      GLY   3  17.014   0.803   0.188
   22    H    ARG   4           HN       ARG   4  16.837  -0.508   2.777
   23    HA   ARG   4           HA       ARG   4  15.942  -3.227   2.154
   24    HB2  ARG   4           HB2      ARG   4  15.707  -3.491   4.560
   25    HB3  ARG   4           HB1      ARG   4  17.286  -2.789   4.202
   26    HG2  ARG   4           HG2      ARG   4  16.059  -0.497   4.523
   27    HG3  ARG   4           HG1      ARG   4  14.850  -1.461   5.373
   28    HD2  ARG   4           HD2      ARG   4  16.367  -0.758   7.059
   29    HD3  ARG   4           HD1      ARG   4  16.792  -2.436   6.729
   30    HE   ARG   4           HE       ARG   4  18.848  -1.686   5.985
   31   HH11  ARG   4          HH21      ARG   4  16.517   0.870   5.891
   32   HH12  ARG   4          HH22      ARG   4  17.665   2.084   5.436
   33   HH21  ARG   4          HH11      ARG   4  20.359  -0.099   5.388
   34   HH22  ARG   4          HH12      ARG   4  19.840   1.537   5.152
   35    H    LEU   5           HN       LEU   5  13.912  -3.596   1.555
   36    HA   LEU   5           HA       LEU   5  11.747  -1.978   2.731
   37    HB2  LEU   5           HB2      LEU   5  10.690  -2.204   0.323
   38    HB3  LEU   5           HB1      LEU   5  11.804  -0.886   0.686
   39    HG   LEU   5           HG       LEU   5  13.041  -3.431  -0.253
   40   HD11  LEU   5          HD11      LEU   5  11.486  -1.582  -2.086
   41   HD12  LEU   5          HD12      LEU   5  11.109  -3.272  -1.750
   42   HD13  LEU   5          HD13      LEU   5  12.584  -2.854  -2.622
   43   HD21  LEU   5          HD21      LEU   5  14.210  -1.210   0.303
   44   HD22  LEU   5          HD22      LEU   5  13.485  -0.583  -1.176
   45   HD23  LEU   5          HD23      LEU   5  14.613  -1.938  -1.249
   46    H    CYS   6           HN       CYS   6   9.974  -3.137   3.273
   47    HA   CYS   6           HA       CYS   6   9.955  -6.000   2.528
   48    HB2  CYS   6           HB2      CYS   6   8.698  -4.823   5.000
   49    HB3  CYS   6           HB1      CYS   6   9.046  -6.518   4.654
   50    H    TYR   7           HN       TYR   7   8.549  -6.179   0.893
   51    HA   TYR   7           HA       TYR   7   6.165  -4.592   0.681
   52    HB2  TYR   7           HB2      TYR   7   7.230  -6.982  -0.816
   53    HB3  TYR   7           HB1      TYR   7   5.631  -6.315  -1.150
   54    HD1  TYR   7           HD2      TYR   7   5.621  -3.625  -1.311
   55    HD2  TYR   7           HD1      TYR   7   8.993  -6.164  -2.097
   56    HE1  TYR   7           HE2      TYR   7   6.642  -1.839  -2.680
   57    HE2  TYR   7           HE1      TYR   7  10.016  -4.381  -3.470
   58    HH   TYR   7           HH       TYR   7   9.067  -2.333  -4.829
   59    H    CYS   8           HN       CYS   8   4.019  -5.262   0.943
   60    HA   CYS   8           HA       CYS   8   3.500  -7.883   2.121
   61    HB2  CYS   8           HB2      CYS   8   3.371  -5.318   3.610
   62    HB3  CYS   8           HB1      CYS   8   2.048  -6.454   3.871
   63    H    ARG   9           HN       ARG   9   2.090  -8.575   0.656
   64    HA   ARG   9           HA       ARG   9  -0.172  -6.821  -0.092
   65    HB2  ARG   9           HB2      ARG   9   1.081  -9.192  -1.493
   66    HB3  ARG   9           HB1      ARG   9  -0.438  -8.456  -2.001
   67    HG2  ARG   9           HG2      ARG   9   1.970  -6.701  -1.599
   68    HG3  ARG   9           HG1      ARG   9   1.846  -7.660  -3.073
   69    HD2  ARG   9           HD2      ARG   9  -0.175  -5.641  -2.064
   70    HD3  ARG   9           HD1      ARG   9   0.871  -5.466  -3.469
   71    HE   ARG   9           HE       ARG   9  -1.579  -6.997  -3.319
   72   HH11  ARG   9          HH21      ARG   9   1.480  -6.565  -4.880
   73   HH12  ARG   9          HH22      ARG   9   0.986  -7.309  -6.362
   74   HH21  ARG   9          HH11      ARG   9  -2.235  -7.973  -5.263
   75   HH22  ARG   9          HH12      ARG   9  -1.119  -8.105  -6.580
   76    H    ARG  10           HN       ARG  10  -1.562  -7.240   1.602
   77    HA   ARG  10           HA       ARG  10  -3.200  -8.350   2.757
   78    HB2  ARG  10           HB2      ARG  10  -2.897 -10.469   0.616
   79    HB3  ARG  10           HB1      ARG  10  -4.266 -10.266   1.708
   80    HG2  ARG  10           HG2      ARG  10  -3.333  -8.196  -0.302
   81    HG3  ARG  10           HG1      ARG  10  -4.707  -9.279  -0.532
   82    HD2  ARG  10           HD2      ARG  10  -5.487  -8.293   1.790
   83    HD3  ARG  10           HD1      ARG  10  -4.414  -6.964   1.357
   84    HE   ARG  10           HE       ARG  10  -5.939  -6.334  -0.280
   85   HH11  ARG  10          HH21      ARG  10  -6.579  -9.536   0.863
   86   HH12  ARG  10          HH22      ARG  10  -8.087  -9.683   0.026
   87   HH21  ARG  10          HH11      ARG  10  -7.919  -6.518  -1.379
   88   HH22  ARG  10          HH12      ARG  10  -8.847  -7.974  -1.244
   89    H    ARG  11           HN       ARG  11  -2.479 -11.547   1.945
   90    HA   ARG  11           HA       ARG  11  -1.312 -11.982   4.600
   91    HB2  ARG  11           HB2      ARG  11  -1.641 -14.470   3.741
   92    HB3  ARG  11           HB1      ARG  11  -3.006 -13.526   4.339
   93    HG2  ARG  11           HG2      ARG  11  -3.648 -12.915   2.080
   94    HG3  ARG  11           HG1      ARG  11  -2.208 -13.691   1.420
   95    HD2  ARG  11           HD2      ARG  11  -4.381 -15.044   1.301
   96    HD3  ARG  11           HD1      ARG  11  -2.985 -15.862   1.995
   97    HE   ARG  11           HE       ARG  11  -4.333 -14.668   4.119
   98   HH11  ARG  11          HH21      ARG  11  -4.937 -17.012   1.643
   99   HH12  ARG  11          HH22      ARG  11  -6.064 -17.924   2.593
  100   HH21  ARG  11          HH11      ARG  11  -5.812 -15.858   5.364
  101   HH22  ARG  11          HH12      ARG  11  -6.560 -17.270   4.696
  102    H    PHE  12           HN       PHE  12  -0.097 -11.270   1.666
  103    HA   PHE  12           HA       PHE  12   2.177 -13.147   1.855
  104    HB2  PHE  12           HB2      PHE  12   1.144 -13.098  -0.336
  105    HB3  PHE  12           HB1      PHE  12   1.255 -11.339  -0.392
  106    HD1  PHE  12           HD1      PHE  12   3.164 -14.496  -0.526
  107    HD2  PHE  12           HD2      PHE  12   3.366 -10.214  -0.810
  108    HE1  PHE  12           HE1      PHE  12   5.450 -14.667  -1.475
  109    HE2  PHE  12           HE2      PHE  12   5.650 -10.384  -1.759
  110    HZ   PHE  12           HZ       PHE  12   6.692 -12.610  -2.091
  111    H    CYS  13           HN       CYS  13   4.286 -12.392   2.034
  112    HA   CYS  13           HA       CYS  13   4.835  -9.550   2.055
  113    HB2  CYS  13           HB2      CYS  13   4.840 -11.172   4.596
  114    HB3  CYS  13           HB1      CYS  13   5.792  -9.696   4.420
  115    H    VAL  14           HN       VAL  14   7.002  -9.052   1.912
  116    HA   VAL  14           HA       VAL  14   9.049 -11.070   2.227
  117    HB   VAL  14           HB       VAL  14   8.117 -11.681   0.019
  118   HG11  VAL  14          HG11      VAL  14   9.034  -8.943  -0.889
  119   HG12  VAL  14          HG12      VAL  14   7.357  -9.299  -0.470
  120   HG13  VAL  14          HG13      VAL  14   8.129 -10.141  -1.815
  121   HG21  VAL  14          HG21      VAL  14  10.610 -11.781   0.599
  122   HG22  VAL  14          HG22      VAL  14  10.787 -10.299  -0.339
  123   HG23  VAL  14          HG23      VAL  14  10.217 -11.776  -1.119
  124    H    CYS  15           HN       CYS  15  11.144 -10.191   2.180
  125    HA   CYS  15           HA       CYS  15  11.385  -7.306   1.671
  126    HB2  CYS  15           HB2      CYS  15  10.876  -7.943   4.172
  127    HB3  CYS  15           HB1      CYS  15  12.578  -8.397   4.195
  128    H    VAL  16           HN       VAL  16  13.476  -6.578   1.242
  129    HA   VAL  16           HA       VAL  16  15.259  -8.649   0.226
  130    HB   VAL  16           HB       VAL  16  16.448  -6.846  -0.842
  131   HG11  VAL  16          HG11      VAL  16  14.271  -7.511  -1.833
  132   HG12  VAL  16          HG12      VAL  16  14.626  -5.808  -2.124
  133   HG13  VAL  16          HG13      VAL  16  13.469  -6.267  -0.874
  134   HG21  VAL  16          HG21      VAL  16  15.609  -4.460  -0.390
  135   HG22  VAL  16          HG22      VAL  16  16.598  -5.197   0.871
  136   HG23  VAL  16          HG23      VAL  16  14.846  -5.120   1.056
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  13.672   0.764  11.506
    2    H2   ARG   1           HT2      ARG   1  14.874   0.493  12.675
    3    H3   ARG   1           HT3      ARG   1  14.775  -0.508  11.305
    4    HA   ARG   1           HA       ARG   1  15.437   2.385  11.283
    5    HB2  ARG   1           HB2      ARG   1  17.143   0.669  12.212
    6    HB3  ARG   1           HB1      ARG   1  17.258   0.094  10.548
    7    HG2  ARG   1           HG2      ARG   1  17.865   2.351   9.790
    8    HG3  ARG   1           HG1      ARG   1  17.714   2.957  11.440
    9    HD2  ARG   1           HD2      ARG   1  19.680   0.867  10.474
   10    HD3  ARG   1           HD1      ARG   1  20.064   2.521  10.942
   11    HE   ARG   1           HE       ARG   1  18.734   1.078  13.042
   12   HH11  ARG   1          HH21      ARG   1  21.744   1.621  11.424
   13   HH12  ARG   1          HH22      ARG   1  22.716   1.199  12.794
   14   HH21  ARG   1          HH11      ARG   1  20.002   0.524  14.845
   15   HH22  ARG   1          HH12      ARG   1  21.728   0.578  14.731
   16    H    GLY   2           HN       GLY   2  15.877   3.210   9.198
   17    HA2  GLY   2           HA2      GLY   2  14.183   2.448   7.138
   18    HA3  GLY   2           HA1      GLY   2  15.635   3.420   6.918
   19    H    GLY   3           HN       GLY   3  14.147   0.446   6.286
   20    HA2  GLY   3           HA2      GLY   3  16.651  -0.977   5.737
   21    HA3  GLY   3           HA1      GLY   3  15.025  -1.650   5.645
   22    H    ARG   4           HN       ARG   4  15.387  -2.513   3.575
   23    HA   ARG   4           HA       ARG   4  16.002  -0.666   1.385
   24    HB2  ARG   4           HB2      ARG   4  15.745  -3.661   1.596
   25    HB3  ARG   4           HB1      ARG   4  15.819  -2.849   0.034
   26    HG2  ARG   4           HG2      ARG   4  17.951  -1.759   0.743
   27    HG3  ARG   4           HG1      ARG   4  17.895  -2.696   2.236
   28    HD2  ARG   4           HD2      ARG   4  18.192  -4.744   1.100
   29    HD3  ARG   4           HD1      ARG   4  17.752  -4.047  -0.456
   30    HE   ARG   4           HE       ARG   4  20.146  -2.930   0.768
   31   HH11  ARG   4          HH21      ARG   4  18.742  -5.279  -1.352
   32   HH12  ARG   4          HH22      ARG   4  20.193  -5.532  -2.260
   33   HH21  ARG   4          HH11      ARG   4  22.055  -3.257  -0.422
   34   HH22  ARG   4          HH12      ARG   4  22.069  -4.387  -1.734
   35    H    LEU   5           HN       LEU   5  13.944  -3.358   0.744
   36    HA   LEU   5           HA       LEU   5  11.552  -1.636   0.610
   37    HB2  LEU   5           HB2      LEU   5  11.146  -2.933  -1.665
   38    HB3  LEU   5           HB1      LEU   5  12.097  -1.449  -1.630
   39    HG   LEU   5           HG       LEU   5  13.611  -3.961  -1.117
   40   HD11  LEU   5          HD11      LEU   5  13.780  -4.265  -3.666
   41   HD12  LEU   5          HD12      LEU   5  12.297  -3.316  -3.759
   42   HD13  LEU   5          HD13      LEU   5  12.310  -4.851  -2.890
   43   HD21  LEU   5          HD21      LEU   5  14.485  -1.533  -1.350
   44   HD22  LEU   5          HD22      LEU   5  14.197  -1.736  -3.077
   45   HD23  LEU   5          HD23      LEU   5  15.339  -2.791  -2.244
   46    H    CYS   6           HN       CYS   6   9.935  -2.624   1.636
   47    HA   CYS   6           HA       CYS   6   9.893  -5.583   1.694
   48    HB2  CYS   6           HB2      CYS   6   8.659  -3.809   3.786
   49    HB3  CYS   6           HB1      CYS   6   9.012  -5.529   3.886
   50    H    TYR   7           HN       TYR   7   8.445  -6.176   0.201
   51    HA   TYR   7           HA       TYR   7   6.032  -4.652  -0.286
   52    HB2  TYR   7           HB2      TYR   7   7.141  -7.235  -1.383
   53    HB3  TYR   7           HB1      TYR   7   5.533  -6.644  -1.812
   54    HD1  TYR   7           HD2      TYR   7   9.139  -5.720  -1.769
   55    HD2  TYR   7           HD1      TYR   7   5.250  -4.910  -3.396
   56    HE1  TYR   7           HE2      TYR   7  10.149  -4.156  -3.398
   57    HE2  TYR   7           HE1      TYR   7   6.255  -3.344  -5.026
   58    HH   TYR   7           HH       TYR   7   9.460  -3.267  -5.764
   59    H    CYS   8           HN       CYS   8   3.962  -5.189   0.335
   60    HA   CYS   8           HA       CYS   8   3.461  -7.693   1.737
   61    HB2  CYS   8           HB2      CYS   8   3.603  -5.040   3.097
   62    HB3  CYS   8           HB1      CYS   8   2.348  -6.169   3.607
   63    H    ARG   9           HN       ARG   9   1.706  -8.415   0.782
   64    HA   ARG   9           HA       ARG   9  -0.606  -6.621   0.475
   65    HB2  ARG   9           HB2      ARG   9   0.874  -7.166  -1.695
   66    HB3  ARG   9           HB1      ARG   9  -0.109  -8.628  -1.681
   67    HG2  ARG   9           HG2      ARG   9  -1.522  -7.277  -2.901
   68    HG3  ARG   9           HG1      ARG   9  -2.074  -6.835  -1.286
   69    HD2  ARG   9           HD2      ARG   9  -0.130  -5.335  -3.052
   70    HD3  ARG   9           HD1      ARG   9  -1.693  -4.783  -2.458
   71    HE   ARG   9           HE       ARG   9   0.296  -5.409  -0.415
   72   HH11  ARG   9          HH21      ARG   9  -1.241  -3.055  -2.435
   73   HH12  ARG   9          HH22      ARG   9  -0.802  -1.710  -1.436
   74   HH21  ARG   9          HH11      ARG   9   0.876  -3.649   0.897
   75   HH22  ARG   9          HH12      ARG   9   0.396  -2.046   0.449
   76    H    ARG  10           HN       ARG  10  -2.135  -7.492   1.717
   77    HA   ARG  10           HA       ARG  10  -3.547  -9.023   2.678
   78    HB2  ARG  10           HB2      ARG  10  -3.790  -9.638   0.199
   79    HB3  ARG  10           HB1      ARG  10  -2.687 -10.971   0.540
   80    HG2  ARG  10           HG2      ARG  10  -4.718 -12.018   0.939
   81    HG3  ARG  10           HG1      ARG  10  -4.365 -11.409   2.555
   82    HD2  ARG  10           HD2      ARG  10  -6.616 -10.772   2.128
   83    HD3  ARG  10           HD1      ARG  10  -5.668  -9.309   1.887
   84    HE   ARG  10           HE       ARG  10  -5.774 -10.373  -0.610
   85   HH11  ARG  10          HH21      ARG  10  -8.129  -9.713   1.838
   86   HH12  ARG  10          HH22      ARG  10  -9.413  -9.404   0.717
   87   HH21  ARG  10          HH11      ARG  10  -7.452  -9.968  -2.088
   88   HH22  ARG  10          HH12      ARG  10  -9.029  -9.549  -1.507
   89    H    ARG  11           HN       ARG  11  -2.549 -12.017   1.989
   90    HA   ARG  11           HA       ARG  11  -1.137 -12.276   4.527
   91    HB2  ARG  11           HB2      ARG  11  -1.404 -14.692   4.162
   92    HB3  ARG  11           HB1      ARG  11  -2.945 -13.852   3.991
   93    HG2  ARG  11           HG2      ARG  11  -2.474 -13.760   1.487
   94    HG3  ARG  11           HG1      ARG  11  -1.146 -14.883   1.787
   95    HD2  ARG  11           HD2      ARG  11  -4.095 -15.338   1.984
   96    HD3  ARG  11           HD1      ARG  11  -2.839 -16.395   1.342
   97    HE   ARG  11           HE       ARG  11  -2.726 -15.938   4.215
   98   HH11  ARG  11          HH21      ARG  11  -3.871 -17.868   1.581
   99   HH12  ARG  11          HH22      ARG  11  -4.109 -19.289   2.543
  100   HH21  ARG  11          HH11      ARG  11  -3.035 -17.800   5.484
  101   HH22  ARG  11          HH12      ARG  11  -3.637 -19.249   4.752
  102    H    PHE  12           HN       PHE  12   0.025 -11.153   1.889
  103    HA   PHE  12           HA       PHE  12   2.373 -12.956   1.732
  104    HB2  PHE  12           HB2      PHE  12   0.983 -12.541  -0.375
  105    HB3  PHE  12           HB1      PHE  12   1.595 -10.887  -0.323
  106    HD1  PHE  12           HD2      PHE  12   2.714 -14.456  -0.323
  107    HD2  PHE  12           HD1      PHE  12   3.724 -10.373  -1.196
  108    HE1  PHE  12           HE2      PHE  12   4.826 -15.205  -1.382
  109    HE2  PHE  12           HE1      PHE  12   5.836 -11.123  -2.256
  110    HZ   PHE  12           HZ       PHE  12   6.387 -13.539  -2.351
  111    H    CYS  13           HN       CYS  13   4.381 -12.145   2.104
  112    HA   CYS  13           HA       CYS  13   4.874  -9.299   2.223
  113    HB2  CYS  13           HB2      CYS  13   4.559 -10.948   4.695
  114    HB3  CYS  13           HB1      CYS  13   5.805  -9.698   4.671
  115    H    VAL  14           HN       VAL  14   7.021  -8.800   2.003
  116    HA   VAL  14           HA       VAL  14   9.125 -10.668   2.550
  117    HB   VAL  14           HB       VAL  14   8.213 -11.725   0.521
  118   HG11  VAL  14          HG11      VAL  14   7.284  -9.563  -0.407
  119   HG12  VAL  14          HG12      VAL  14   8.152 -10.549  -1.585
  120   HG13  VAL  14          HG13      VAL  14   8.929  -9.132  -0.876
  121   HG21  VAL  14          HG21      VAL  14  10.694 -11.653   1.014
  122   HG22  VAL  14          HG22      VAL  14  10.810 -10.280  -0.085
  123   HG23  VAL  14          HG23      VAL  14  10.301 -11.854  -0.693
  124    H    CYS  15           HN       CYS  15  11.183  -9.762   2.277
  125    HA   CYS  15           HA       CYS  15  11.390  -7.069   1.167
  126    HB2  CYS  15           HB2      CYS  15  10.725  -7.022   3.686
  127    HB3  CYS  15           HB1      CYS  15  12.398  -7.505   3.962
  128    H    VAL  16           HN       VAL  16  13.563  -6.351   0.876
  129    HA   VAL  16           HA       VAL  16  15.706  -6.702   0.118
  130    HB   VAL  16           HB       VAL  16  15.822  -8.626   2.453
  131   HG11  VAL  16          HG11      VAL  16  18.231  -7.880   2.440
  132   HG12  VAL  16          HG12      VAL  16  17.911  -7.060   0.911
  133   HG13  VAL  16          HG13      VAL  16  17.763  -8.814   1.020
  134   HG21  VAL  16          HG21      VAL  16  14.941  -6.271   2.946
  135   HG22  VAL  16          HG22      VAL  16  16.525  -5.679   2.442
  136   HG23  VAL  16          HG23      VAL  16  16.387  -6.752   3.834
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  23.769   3.900  -4.176
    2    H2   ARG   1           HT2      ARG   1  22.823   4.927  -5.144
    3    H3   ARG   1           HT3      ARG   1  22.552   3.249  -5.161
    4    HA   ARG   1           HA       ARG   1  22.372   4.343  -2.526
    5    HB2  ARG   1           HB2      ARG   1  21.560   6.229  -4.128
    6    HB3  ARG   1           HB1      ARG   1  20.180   5.171  -4.423
    7    HG2  ARG   1           HG2      ARG   1  19.953   5.036  -1.862
    8    HG3  ARG   1           HG1      ARG   1  21.055   6.411  -1.812
    9    HD2  ARG   1           HD2      ARG   1  18.280   6.263  -2.954
   10    HD3  ARG   1           HD1      ARG   1  18.956   7.449  -1.841
   11    HE   ARG   1           HE       ARG   1  20.356   7.592  -4.290
   12   HH11  ARG   1          HH21      ARG   1  17.250   8.213  -2.898
   13   HH12  ARG   1          HH22      ARG   1  16.862   9.495  -3.996
   14   HH21  ARG   1          HH11      ARG   1  19.854   9.273  -5.733
   15   HH22  ARG   1          HH12      ARG   1  18.336  10.095  -5.601
   16    H    GLY   2           HN       GLY   2  20.824   3.154  -1.382
   17    HA2  GLY   2           HA2      GLY   2  18.969   1.394  -2.701
   18    HA3  GLY   2           HA1      GLY   2  20.355   0.541  -2.032
   19    H    GLY   3           HN       GLY   3  18.532  -0.467  -0.763
   20    HA2  GLY   3           HA2      GLY   3  18.619   0.109   1.898
   21    HA3  GLY   3           HA1      GLY   3  17.292   1.110   1.310
   22    H    ARG   4           HN       ARG   4  17.491  -1.393   3.059
   23    HA   ARG   4           HA       ARG   4  16.095  -3.435   1.571
   24    HB2  ARG   4           HB2      ARG   4  15.839  -4.468   3.871
   25    HB3  ARG   4           HB1      ARG   4  17.501  -4.188   3.350
   26    HG2  ARG   4           HG2      ARG   4  17.672  -2.201   4.692
   27    HG3  ARG   4           HG1      ARG   4  15.943  -2.218   5.041
   28    HD2  ARG   4           HD2      ARG   4  16.158  -4.248   6.335
   29    HD3  ARG   4           HD1      ARG   4  17.843  -4.432   5.856
   30    HE   ARG   4           HE       ARG   4  17.444  -1.925   7.152
   31   HH11  ARG   4          HH21      ARG   4  17.655  -5.338   7.693
   32   HH12  ARG   4          HH22      ARG   4  18.245  -5.183   9.316
   33   HH21  ARG   4          HH11      ARG   4  18.216  -1.716   9.279
   34   HH22  ARG   4          HH12      ARG   4  18.562  -3.133  10.213
   35    H    LEU   5           HN       LEU   5  13.948  -4.145   1.970
   36    HA   LEU   5           HA       LEU   5  12.147  -2.541   3.557
   37    HB2  LEU   5           HB2      LEU   5  10.693  -1.931   1.622
   38    HB3  LEU   5           HB1      LEU   5  12.243  -1.095   1.624
   39    HG   LEU   5           HG       LEU   5  12.048  -3.703   0.149
   40   HD11  LEU   5          HD11      LEU   5  10.078  -2.641  -0.689
   41   HD12  LEU   5          HD12      LEU   5  11.338  -2.344  -1.887
   42   HD13  LEU   5          HD13      LEU   5  10.874  -1.067  -0.762
   43   HD21  LEU   5          HD21      LEU   5  13.543  -1.086  -0.202
   44   HD22  LEU   5          HD22      LEU   5  13.566  -2.372  -1.407
   45   HD23  LEU   5          HD23      LEU   5  14.217  -2.665   0.202
   46    H    CYS   6           HN       CYS   6  10.032  -3.452   3.691
   47    HA   CYS   6           HA       CYS   6   9.922  -6.270   2.788
   48    HB2  CYS   6           HB2      CYS   6   8.904  -4.963   5.306
   49    HB3  CYS   6           HB1      CYS   6   8.379  -6.562   4.784
   50    H    TYR   7           HN       TYR   7   8.763  -6.119   0.949
   51    HA   TYR   7           HA       TYR   7   6.506  -4.433   0.571
   52    HB2  TYR   7           HB2      TYR   7   7.582  -6.857  -0.855
   53    HB3  TYR   7           HB1      TYR   7   6.040  -6.142  -1.325
   54    HD1  TYR   7           HD1      TYR   7   6.099  -3.477  -1.519
   55    HD2  TYR   7           HD2      TYR   7   9.502  -6.066  -1.909
   56    HE1  TYR   7           HE1      TYR   7   7.290  -1.717  -2.786
   57    HE2  TYR   7           HE2      TYR   7  10.695  -4.307  -3.176
   58    HH   TYR   7           HH       TYR   7  10.507  -2.315  -4.183
   59    H    CYS   8           HN       CYS   8   4.737  -4.613   1.827
   60    HA   CYS   8           HA       CYS   8   3.771  -7.316   2.528
   61    HB2  CYS   8           HB2      CYS   8   3.578  -4.653   3.885
   62    HB3  CYS   8           HB1      CYS   8   2.356  -5.883   4.202
   63    H    ARG   9           HN       ARG   9   1.952  -8.042   1.660
   64    HA   ARG   9           HA       ARG   9  -0.261  -6.351   1.003
   65    HB2  ARG   9           HB2      ARG   9   1.753  -6.797  -1.023
   66    HB3  ARG   9           HB1      ARG   9   0.233  -7.529  -1.523
   67    HG2  ARG   9           HG2      ARG   9   0.420  -4.693  -0.474
   68    HG3  ARG   9           HG1      ARG   9   0.550  -5.088  -2.186
   69    HD2  ARG   9           HD2      ARG   9  -1.819  -5.557  -0.361
   70    HD3  ARG   9           HD1      ARG   9  -1.743  -4.519  -1.779
   71    HE   ARG   9           HE       ARG   9  -1.265  -7.372  -2.218
   72   HH11  ARG   9          HH21      ARG   9  -3.420  -4.660  -2.293
   73   HH12  ARG   9          HH22      ARG   9  -4.526  -5.398  -3.404
   74   HH21  ARG   9          HH11      ARG   9  -2.711  -8.340  -3.672
   75   HH22  ARG   9          HH12      ARG   9  -4.124  -7.479  -4.184
   76    H    ARG  10           HN       ARG  10  -1.940  -7.699  -0.289
   77    HA   ARG  10           HA       ARG  10  -3.390  -9.484  -0.084
   78    HB2  ARG  10           HB2      ARG  10  -1.625 -10.178  -1.804
   79    HB3  ARG  10           HB1      ARG  10  -0.920 -11.160  -0.523
   80    HG2  ARG  10           HG2      ARG  10  -3.299 -12.123  -0.213
   81    HG3  ARG  10           HG1      ARG  10  -3.651 -11.404  -1.783
   82    HD2  ARG  10           HD2      ARG  10  -1.291 -12.671  -2.326
   83    HD3  ARG  10           HD1      ARG  10  -1.980 -13.757  -1.122
   84    HE   ARG  10           HE       ARG  10  -3.620 -14.349  -2.665
   85   HH11  ARG  10          HH21      ARG  10  -1.920 -11.499  -3.653
   86   HH12  ARG  10          HH22      ARG  10  -2.634 -11.453  -5.231
   87   HH21  ARG  10          HH11      ARG  10  -4.558 -14.295  -4.735
   88   HH22  ARG  10          HH12      ARG  10  -4.127 -13.037  -5.842
   89    H    ARG  11           HN       ARG  11  -1.529 -12.049   0.818
   90    HA   ARG  11           HA       ARG  11  -2.090 -11.641   3.700
   91    HB2  ARG  11           HB2      ARG  11  -2.461 -14.133   3.767
   92    HB3  ARG  11           HB1      ARG  11  -3.689 -13.226   2.888
   93    HG2  ARG  11           HG2      ARG  11  -3.125 -14.161   0.882
   94    HG3  ARG  11           HG1      ARG  11  -1.399 -14.093   1.227
   95    HD2  ARG  11           HD2      ARG  11  -3.209 -16.068   2.615
   96    HD3  ARG  11           HD1      ARG  11  -2.471 -16.428   1.056
   97    HE   ARG  11           HE       ARG  11  -0.625 -15.534   3.124
   98   HH11  ARG  11          HH21      ARG  11  -2.198 -18.161   1.509
   99   HH12  ARG  11          HH22      ARG  11  -1.003 -19.332   1.957
  100   HH21  ARG  11          HH11      ARG  11   0.946 -17.064   3.714
  101   HH22  ARG  11          HH12      ARG  11   0.776 -18.711   3.205
  102    H    PHE  12           HN       PHE  12   0.398 -10.996   2.500
  103    HA   PHE  12           HA       PHE  12   2.158 -12.463   4.173
  104    HB2  PHE  12           HB2      PHE  12   3.346 -13.820   2.691
  105    HB3  PHE  12           HB1      PHE  12   1.678 -14.057   2.175
  106    HD1  PHE  12           HD1      PHE  12   0.957 -11.840   0.569
  107    HD2  PHE  12           HD2      PHE  12   4.799 -13.734   0.868
  108    HE1  PHE  12           HE1      PHE  12   1.536 -11.019  -1.695
  109    HE2  PHE  12           HE2      PHE  12   5.379 -12.911  -1.397
  110    HZ   PHE  12           HZ       PHE  12   3.748 -11.554  -2.679
  111    H    CYS  13           HN       CYS  13   4.542 -11.964   3.497
  112    HA   CYS  13           HA       CYS  13   4.743  -9.303   2.258
  113    HB2  CYS  13           HB2      CYS  13   5.812 -10.057   4.987
  114    HB3  CYS  13           HB1      CYS  13   6.259  -8.592   4.115
  115    H    VAL  14           HN       VAL  14   6.991  -8.712   1.737
  116    HA   VAL  14           HA       VAL  14   8.825 -11.012   1.515
  117    HB   VAL  14           HB       VAL  14   8.079  -9.192  -0.787
  118   HG11  VAL  14          HG11      VAL  14  10.043 -11.477  -0.481
  119   HG12  VAL  14          HG12      VAL  14  10.389  -9.818  -0.973
  120   HG13  VAL  14          HG13      VAL  14   9.492 -10.889  -2.051
  121   HG21  VAL  14          HG21      VAL  14   6.314 -10.826  -0.289
  122   HG22  VAL  14          HG22      VAL  14   7.504 -12.128  -0.262
  123   HG23  VAL  14          HG23      VAL  14   7.157 -11.282  -1.770
  124    H    CYS  15           HN       CYS  15  10.741 -10.449   2.307
  125    HA   CYS  15           HA       CYS  15  11.532  -7.598   2.233
  126    HB2  CYS  15           HB2      CYS  15  12.508  -9.745   4.123
  127    HB3  CYS  15           HB1      CYS  15  12.852  -8.018   4.212
  128    H    VAL  16           HN       VAL  16  13.360  -7.015   1.242
  129    HA   VAL  16           HA       VAL  16  14.911  -9.128  -0.099
  130    HB   VAL  16           HB       VAL  16  15.851  -7.213  -1.411
  131   HG11  VAL  16          HG11      VAL  16  12.825  -7.201  -1.396
  132   HG12  VAL  16          HG12      VAL  16  13.768  -8.544  -2.045
  133   HG13  VAL  16          HG13      VAL  16  13.899  -6.942  -2.772
  134   HG21  VAL  16          HG21      VAL  16  15.507  -5.483   0.341
  135   HG22  VAL  16          HG22      VAL  16  13.763  -5.633   0.128
  136   HG23  VAL  16          HG23      VAL  16  14.764  -5.018  -1.188
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  16.800   6.922   4.995
    2    H2   ARG   1           HT2      ARG   1  16.820   8.513   4.397
    3    H3   ARG   1           HT3      ARG   1  17.936   8.035   5.584
    4    HA   ARG   1           HA       ARG   1  17.896   7.433   2.712
    5    HB2  ARG   1           HB2      ARG   1  19.350   9.214   3.481
    6    HB3  ARG   1           HB1      ARG   1  20.010   8.183   4.750
    7    HG2  ARG   1           HG2      ARG   1  21.142   6.795   3.196
    8    HG3  ARG   1           HG1      ARG   1  20.201   7.412   1.836
    9    HD2  ARG   1           HD2      ARG   1  22.660   8.287   2.252
   10    HD3  ARG   1           HD1      ARG   1  21.398   9.398   1.726
   11    HE   ARG   1           HE       ARG   1  21.565  10.458   3.779
   12   HH11  ARG   1          HH21      ARG   1  22.950   7.290   3.915
   13   HH12  ARG   1          HH22      ARG   1  23.573   7.480   5.519
   14   HH21  ARG   1          HH11      ARG   1  22.379  10.716   5.884
   15   HH22  ARG   1          HH12      ARG   1  23.248   9.421   6.635
   16    H    GLY   2           HN       GLY   2  18.223   5.422   1.996
   17    HA2  GLY   2           HA2      GLY   2  19.056   3.252   1.907
   18    HA3  GLY   2           HA1      GLY   2  19.817   3.510   3.474
   19    H    GLY   3           HN       GLY   3  19.115   1.576   4.375
   20    HA2  GLY   3           HA2      GLY   3  17.638   0.552   5.888
   21    HA3  GLY   3           HA1      GLY   3  16.339   1.578   5.289
   22    H    ARG   4           HN       ARG   4  15.740  -1.013   5.647
   23    HA   ARG   4           HA       ARG   4  16.171  -2.558   3.237
   24    HB2  ARG   4           HB2      ARG   4  14.527  -4.131   4.360
   25    HB3  ARG   4           HB1      ARG   4  16.007  -3.811   5.263
   26    HG2  ARG   4           HG2      ARG   4  14.900  -2.284   6.726
   27    HG3  ARG   4           HG1      ARG   4  13.473  -2.217   5.692
   28    HD2  ARG   4           HD2      ARG   4  12.982  -3.650   7.589
   29    HD3  ARG   4           HD1      ARG   4  13.094  -4.649   6.144
   30    HE   ARG   4           HE       ARG   4  15.009  -4.573   8.364
   31   HH11  ARG   4          HH21      ARG   4  14.135  -5.684   5.200
   32   HH12  ARG   4          HH22      ARG   4  15.264  -6.998   5.203
   33   HH21  ARG   4          HH11      ARG   4  16.486  -6.293   8.368
   34   HH22  ARG   4          HH12      ARG   4  16.595  -7.342   6.994
   35    H    LEU   5           HN       LEU   5  13.960  -3.697   2.484
   36    HA   LEU   5           HA       LEU   5  11.743  -1.841   2.232
   37    HB2  LEU   5           HB2      LEU   5  13.083  -0.940   0.464
   38    HB3  LEU   5           HB1      LEU   5  13.514  -2.549  -0.117
   39    HG   LEU   5           HG       LEU   5  11.256  -2.972  -0.854
   40   HD11  LEU   5          HD11      LEU   5   9.880  -2.020   0.816
   41   HD12  LEU   5          HD12      LEU   5   9.578  -1.006  -0.594
   42   HD13  LEU   5          HD13      LEU   5  10.656  -0.443   0.682
   43   HD21  LEU   5          HD21      LEU   5  10.986  -1.205  -2.531
   44   HD22  LEU   5          HD22      LEU   5  12.697  -1.580  -2.334
   45   HD23  LEU   5          HD23      LEU   5  12.022  -0.129  -1.593
   46    H    CYS   6           HN       CYS   6  10.362  -3.380   3.020
   47    HA   CYS   6           HA       CYS   6  10.256  -5.955   1.577
   48    HB2  CYS   6           HB2      CYS   6   8.990  -5.387   4.253
   49    HB3  CYS   6           HB1      CYS   6   9.343  -6.951   3.522
   50    H    TYR   7           HN       TYR   7   8.588  -6.389   0.335
   51    HA   TYR   7           HA       TYR   7   6.359  -4.520   0.201
   52    HB2  TYR   7           HB2      TYR   7   7.177  -6.911  -1.450
   53    HB3  TYR   7           HB1      TYR   7   5.670  -6.031  -1.718
   54    HD1  TYR   7           HD2      TYR   7   5.686  -3.687  -2.442
   55    HD2  TYR   7           HD1      TYR   7   9.323  -5.910  -1.947
   56    HE1  TYR   7           HE2      TYR   7   6.917  -1.947  -3.697
   57    HE2  TYR   7           HE1      TYR   7  10.561  -4.172  -3.196
   58    HH   TYR   7           HH       TYR   7   9.394  -1.137  -3.774
   59    H    CYS   8           HN       CYS   8   4.224  -5.028   0.649
   60    HA   CYS   8           HA       CYS   8   3.648  -7.689   1.779
   61    HB2  CYS   8           HB2      CYS   8   3.988  -5.358   3.331
   62    HB3  CYS   8           HB1      CYS   8   2.248  -5.634   3.258
   63    H    ARG   9           HN       ARG   9   1.715  -8.492   1.222
   64    HA   ARG   9           HA       ARG   9  -0.431  -6.752   0.308
   65    HB2  ARG   9           HB2      ARG   9   1.061  -7.213  -1.691
   66    HB3  ARG   9           HB1      ARG   9   0.614  -8.908  -1.529
   67    HG2  ARG   9           HG2      ARG   9  -0.958  -8.105  -3.081
   68    HG3  ARG   9           HG1      ARG   9  -1.838  -8.038  -1.556
   69    HD2  ARG   9           HD2      ARG   9  -2.051  -5.959  -2.964
   70    HD3  ARG   9           HD1      ARG   9  -1.435  -5.670  -1.343
   71    HE   ARG   9           HE       ARG   9   0.811  -6.018  -2.903
   72   HH11  ARG   9          HH21      ARG   9  -1.984  -3.978  -2.912
   73   HH12  ARG   9          HH22      ARG   9  -1.173  -2.637  -3.649
   74   HH21  ARG   9          HH11      ARG   9   1.882  -4.263  -3.868
   75   HH22  ARG   9          HH12      ARG   9   1.017  -2.798  -4.190
   76    H    ARG  10           HN       ARG  10  -2.396  -7.608   0.739
   77    HA   ARG  10           HA       ARG  10  -3.955  -9.036   1.642
   78    HB2  ARG  10           HB2      ARG  10  -2.283 -10.862  -0.072
   79    HB3  ARG  10           HB1      ARG  10  -3.640 -11.488   0.866
   80    HG2  ARG  10           HG2      ARG  10  -5.148  -9.867  -0.223
   81    HG3  ARG  10           HG1      ARG  10  -3.793  -9.241  -1.167
   82    HD2  ARG  10           HD2      ARG  10  -3.564 -11.253  -2.387
   83    HD3  ARG  10           HD1      ARG  10  -4.521 -12.168  -1.226
   84    HE   ARG  10           HE       ARG  10  -5.531 -10.596  -3.419
   85   HH11  ARG  10          HH21      ARG  10  -6.146 -11.816  -0.240
   86   HH12  ARG  10          HH22      ARG  10  -7.868 -11.788  -0.412
   87   HH21  ARG  10          HH11      ARG  10  -7.790 -10.558  -3.653
   88   HH22  ARG  10          HH12      ARG  10  -8.800 -11.075  -2.344
   89    H    ARG  11           HN       ARG  11  -1.899 -11.776   1.730
   90    HA   ARG  11           HA       ARG  11  -1.327 -11.361   4.604
   91    HB2  ARG  11           HB2      ARG  11  -1.890 -13.740   4.995
   92    HB3  ARG  11           HB1      ARG  11  -3.283 -12.814   4.436
   93    HG2  ARG  11           HG2      ARG  11  -2.437 -13.600   2.044
   94    HG3  ARG  11           HG1      ARG  11  -1.676 -14.886   2.980
   95    HD2  ARG  11           HD2      ARG  11  -3.836 -15.705   2.363
   96    HD3  ARG  11           HD1      ARG  11  -3.943 -15.272   4.068
   97    HE   ARG  11           HE       ARG  11  -4.766 -13.001   2.848
   98   HH11  ARG  11          HH21      ARG  11  -5.567 -16.345   2.461
   99   HH12  ARG  11          HH22      ARG  11  -7.194 -16.040   1.954
  100   HH21  ARG  11          HH11      ARG  11  -6.899 -12.591   2.181
  101   HH22  ARG  11          HH12      ARG  11  -7.950 -13.914   1.795
  102    H    PHE  12           HN       PHE  12   0.431 -10.953   2.396
  103    HA   PHE  12           HA       PHE  12   2.468 -12.983   3.040
  104    HB2  PHE  12           HB2      PHE  12   1.180 -12.624   0.475
  105    HB3  PHE  12           HB1      PHE  12   2.898 -12.255   0.340
  106    HD1  PHE  12           HD2      PHE  12   0.418 -14.852   1.212
  107    HD2  PHE  12           HD1      PHE  12   4.587 -13.958   0.697
  108    HE1  PHE  12           HE2      PHE  12   0.943 -17.276   1.254
  109    HE2  PHE  12           HE1      PHE  12   5.112 -16.383   0.739
  110    HZ   PHE  12           HZ       PHE  12   3.289 -18.040   1.017
  111    H    CYS  13           HN       CYS  13   4.625 -12.236   2.860
  112    HA   CYS  13           HA       CYS  13   5.075  -9.434   2.201
  113    HB2  CYS  13           HB2      CYS  13   4.511 -10.088   4.834
  114    HB3  CYS  13           HB1      CYS  13   6.273 -10.066   4.798
  115    H    VAL  14           HN       VAL  14   7.140  -9.027   1.534
  116    HA   VAL  14           HA       VAL  14   9.174 -11.130   1.927
  117    HB   VAL  14           HB       VAL  14   8.591  -9.880  -0.765
  118   HG11  VAL  14          HG11      VAL  14  10.915 -10.567  -0.457
  119   HG12  VAL  14          HG12      VAL  14  10.110 -11.708  -1.535
  120   HG13  VAL  14          HG13      VAL  14  10.398 -12.139   0.152
  121   HG21  VAL  14          HG21      VAL  14   7.910 -12.641   0.302
  122   HG22  VAL  14          HG22      VAL  14   7.695 -12.112  -1.366
  123   HG23  VAL  14          HG23      VAL  14   6.749 -11.369  -0.077
  124    H    CYS  15           HN       CYS  15  11.106 -10.317   2.453
  125    HA   CYS  15           HA       CYS  15  11.478  -7.414   2.331
  126    HB2  CYS  15           HB2      CYS  15  12.752  -9.633   3.891
  127    HB3  CYS  15           HB1      CYS  15  13.589  -8.092   3.708
  128    H    VAL  16           HN       VAL  16  13.206  -6.414   1.323
  129    HA   VAL  16           HA       VAL  16  14.571  -6.122  -0.528
  130    HB   VAL  16           HB       VAL  16  15.935  -8.563   0.619
  131   HG11  VAL  16          HG11      VAL  16  16.920  -6.107  -0.867
  132   HG12  VAL  16          HG12      VAL  16  16.862  -7.753  -1.496
  133   HG13  VAL  16          HG13      VAL  16  17.965  -7.353  -0.179
  134   HG21  VAL  16          HG21      VAL  16  15.534  -7.130   2.490
  135   HG22  VAL  16          HG22      VAL  16  15.878  -5.682   1.546
  136   HG23  VAL  16          HG23      VAL  16  17.185  -6.784   1.974
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  21.928  -3.859  -2.305
    2    H2   ARG   1           HT2      ARG   1  20.972  -2.575  -1.736
    3    H3   ARG   1           HT3      ARG   1  20.853  -4.111  -1.018
    4    HA   ARG   1           HA       ARG   1  22.625  -3.808   0.284
    5    HB2  ARG   1           HB2      ARG   1  24.013  -3.846  -1.879
    6    HB3  ARG   1           HB1      ARG   1  23.955  -2.085  -1.813
    7    HG2  ARG   1           HG2      ARG   1  25.907  -2.452  -0.619
    8    HG3  ARG   1           HG1      ARG   1  24.740  -2.500   0.702
    9    HD2  ARG   1           HD2      ARG   1  26.000  -4.447   1.057
   10    HD3  ARG   1           HD1      ARG   1  24.599  -5.048   0.177
   11    HE   ARG   1           HE       ARG   1  25.995  -5.523  -1.627
   12   HH11  ARG   1          HH21      ARG   1  27.565  -3.487   0.689
   13   HH12  ARG   1          HH22      ARG   1  29.126  -3.611  -0.054
   14   HH21  ARG   1          HH11      ARG   1  28.039  -5.689  -2.607
   15   HH22  ARG   1          HH12      ARG   1  29.393  -4.856  -1.920
   16    H    GLY   2           HN       GLY   2  22.635  -2.414   1.959
   17    HA2  GLY   2           HA2      GLY   2  22.077  -0.569   3.220
   18    HA3  GLY   2           HA1      GLY   2  22.838   0.343   1.921
   19    H    GLY   3           HN       GLY   3  19.854  -1.604   2.039
   20    HA2  GLY   3           HA2      GLY   3  18.084   0.623   1.974
   21    HA3  GLY   3           HA1      GLY   3  18.330  -0.010   0.349
   22    H    ARG   4           HN       ARG   4  16.796  -0.491   3.393
   23    HA   ARG   4           HA       ARG   4  15.917  -3.204   2.734
   24    HB2  ARG   4           HB2      ARG   4  15.366  -1.452   5.140
   25    HB3  ARG   4           HB1      ARG   4  14.831  -3.122   4.956
   26    HG2  ARG   4           HG2      ARG   4  17.239  -3.785   4.646
   27    HG3  ARG   4           HG1      ARG   4  17.691  -2.129   5.053
   28    HD2  ARG   4           HD2      ARG   4  17.845  -3.317   7.099
   29    HD3  ARG   4           HD1      ARG   4  16.318  -2.446   7.197
   30    HE   ARG   4           HE       ARG   4  16.649  -5.343   6.803
   31   HH11  ARG   4          HH21      ARG   4  14.610  -2.558   7.118
   32   HH12  ARG   4          HH22      ARG   4  13.178  -3.477   7.438
   33   HH21  ARG   4          HH11      ARG   4  14.774  -6.546   7.217
   34   HH22  ARG   4          HH12      ARG   4  13.270  -5.731   7.493
   35    H    LEU   5           HN       LEU   5  13.970  -3.696   1.921
   36    HA   LEU   5           HA       LEU   5  11.750  -1.807   2.107
   37    HB2  LEU   5           HB2      LEU   5  11.392  -2.097  -0.431
   38    HB3  LEU   5           HB1      LEU   5  12.631  -0.957   0.093
   39    HG   LEU   5           HG       LEU   5  13.603  -3.734  -0.224
   40   HD11  LEU   5          HD11      LEU   5  13.750  -3.351  -2.769
   41   HD12  LEU   5          HD12      LEU   5  12.455  -2.174  -2.540
   42   HD13  LEU   5          HD13      LEU   5  12.193  -3.867  -2.122
   43   HD21  LEU   5          HD21      LEU   5  14.569  -1.119  -1.420
   44   HD22  LEU   5          HD22      LEU   5  15.500  -2.600  -1.204
   45   HD23  LEU   5          HD23      LEU   5  14.995  -1.666   0.201
   46    H    CYS   6           HN       CYS   6  10.225  -3.106   2.933
   47    HA   CYS   6           HA       CYS   6   9.952  -5.830   1.813
   48    HB2  CYS   6           HB2      CYS   6   9.087  -4.808   4.525
   49    HB3  CYS   6           HB1      CYS   6   8.906  -6.460   3.935
   50    H    TYR   7           HN       TYR   7   8.229  -6.224   0.630
   51    HA   TYR   7           HA       TYR   7   5.985  -4.326   0.685
   52    HB2  TYR   7           HB2      TYR   7   6.781  -6.476  -1.284
   53    HB3  TYR   7           HB1      TYR   7   5.313  -5.503  -1.420
   54    HD1  TYR   7           HD2      TYR   7   5.607  -2.928  -1.261
   55    HD2  TYR   7           HD1      TYR   7   8.790  -5.657  -2.170
   56    HE1  TYR   7           HE2      TYR   7   6.914  -1.071  -2.237
   57    HE2  TYR   7           HE1      TYR   7  10.104  -3.804  -3.143
   58    HH   TYR   7           HH       TYR   7  10.170  -1.234  -2.843
   59    H    CYS   8           HN       CYS   8   3.945  -4.908   1.293
   60    HA   CYS   8           HA       CYS   8   3.558  -7.701   2.185
   61    HB2  CYS   8           HB2      CYS   8   2.976  -5.113   3.510
   62    HB3  CYS   8           HB1      CYS   8   1.762  -6.379   3.694
   63    H    ARG   9           HN       ARG   9   2.241  -8.729   0.877
   64    HA   ARG   9           HA       ARG   9  -0.008  -7.262  -0.363
   65    HB2  ARG   9           HB2      ARG   9   1.442  -8.182  -2.047
   66    HB3  ARG   9           HB1      ARG   9   1.493  -9.744  -1.232
   67    HG2  ARG   9           HG2      ARG   9  -0.060  -9.680  -3.212
   68    HG3  ARG   9           HG1      ARG   9  -0.851 -10.139  -1.706
   69    HD2  ARG   9           HD2      ARG   9  -2.006  -8.361  -3.206
   70    HD3  ARG   9           HD1      ARG   9  -1.902  -8.050  -1.477
   71    HE   ARG   9           HE       ARG   9  -0.555  -6.237  -1.967
   72   HH11  ARG   9          HH21      ARG   9  -0.543  -8.502  -4.583
   73   HH12  ARG   9          HH22      ARG   9   0.416  -7.505  -5.625
   74   HH21  ARG   9          HH11      ARG   9   0.706  -4.924  -3.326
   75   HH22  ARG   9          HH12      ARG   9   1.125  -5.481  -4.912
   76    H    ARG  10           HN       ARG  10  -1.615  -7.485   1.122
   77    HA   ARG  10           HA       ARG  10  -3.311  -8.478   2.292
   78    HB2  ARG  10           HB2      ARG  10  -3.620  -9.694   0.121
   79    HB3  ARG  10           HB1      ARG  10  -2.593 -10.979   0.746
   80    HG2  ARG  10           HG2      ARG  10  -4.700 -11.787   1.318
   81    HG3  ARG  10           HG1      ARG  10  -4.266 -10.924   2.791
   82    HD2  ARG  10           HD2      ARG  10  -6.417 -10.116   2.379
   83    HD3  ARG  10           HD1      ARG  10  -5.422  -8.879   1.623
   84    HE   ARG  10           HE       ARG  10  -6.973 -10.958   0.220
   85   HH11  ARG  10          HH21      ARG  10  -4.945  -8.143   0.176
   86   HH12  ARG  10          HH22      ARG  10  -5.284  -7.763  -1.478
   87   HH21  ARG  10          HH11      ARG  10  -7.415 -10.454  -1.944
   88   HH22  ARG  10          HH12      ARG  10  -6.679  -9.068  -2.676
   89    H    ARG  11           HN       ARG  11  -1.946 -11.650   2.149
   90    HA   ARG  11           HA       ARG  11  -1.121 -11.387   4.979
   91    HB2  ARG  11           HB2      ARG  11  -1.715 -13.677   5.289
   92    HB3  ARG  11           HB1      ARG  11  -3.054 -12.915   4.432
   93    HG2  ARG  11           HG2      ARG  11  -1.832 -13.706   2.273
   94    HG3  ARG  11           HG1      ARG  11  -0.961 -14.794   3.354
   95    HD2  ARG  11           HD2      ARG  11  -2.941 -15.921   2.447
   96    HD3  ARG  11           HD1      ARG  11  -3.116 -15.682   4.181
   97    HE   ARG  11           HE       ARG  11  -4.678 -13.909   3.735
   98   HH11  ARG  11          HH21      ARG  11  -3.588 -15.651   0.936
   99   HH12  ARG  11          HH22      ARG  11  -4.909 -15.141  -0.058
  100   HH21  ARG  11          HH11      ARG  11  -6.404 -13.245   2.425
  101   HH22  ARG  11          HH12      ARG  11  -6.500 -13.781   0.782
  102    H    PHE  12           HN       PHE  12   0.022 -11.927   1.828
  103    HA   PHE  12           HA       PHE  12   2.414 -13.370   2.779
  104    HB2  PHE  12           HB2      PHE  12   1.155 -14.224   0.779
  105    HB3  PHE  12           HB1      PHE  12   1.607 -12.744  -0.069
  106    HD1  PHE  12           HD2      PHE  12   4.068 -12.186  -0.336
  107    HD2  PHE  12           HD1      PHE  12   2.690 -16.024   1.008
  108    HE1  PHE  12           HE2      PHE  12   6.276 -13.171  -0.886
  109    HE2  PHE  12           HE1      PHE  12   4.897 -17.012   0.458
  110    HZ   PHE  12           HZ       PHE  12   6.691 -15.583  -0.490
  111    H    CYS  13           HN       CYS  13   4.127 -12.187   3.306
  112    HA   CYS  13           HA       CYS  13   4.556  -9.604   1.921
  113    HB2  CYS  13           HB2      CYS  13   5.330 -10.430   4.728
  114    HB3  CYS  13           HB1      CYS  13   5.788  -8.909   3.966
  115    H    VAL  14           HN       VAL  14   6.817  -8.950   1.673
  116    HA   VAL  14           HA       VAL  14   8.793 -11.117   1.743
  117    HB   VAL  14           HB       VAL  14   7.717 -11.301  -0.477
  118   HG11  VAL  14          HG11      VAL  14   8.790  -8.507  -0.950
  119   HG12  VAL  14          HG12      VAL  14   7.098  -8.852  -0.586
  120   HG13  VAL  14          HG13      VAL  14   7.829  -9.484  -2.062
  121   HG21  VAL  14          HG21      VAL  14  10.159 -11.770  -0.138
  122   HG22  VAL  14          HG22      VAL  14  10.505 -10.110  -0.630
  123   HG23  VAL  14          HG23      VAL  14   9.777 -11.237  -1.775
  124    H    CYS  15           HN       CYS  15  10.824 -10.404   2.119
  125    HA   CYS  15           HA       CYS  15  11.220  -7.479   2.261
  126    HB2  CYS  15           HB2      CYS  15  12.240  -9.768   3.898
  127    HB3  CYS  15           HB1      CYS  15  13.201  -8.293   3.784
  128    H    VAL  16           HN       VAL  16  13.076  -6.546   1.422
  129    HA   VAL  16           HA       VAL  16  14.794  -6.272  -0.072
  130    HB   VAL  16           HB       VAL  16  15.434  -9.170   0.512
  131   HG11  VAL  16          HG11      VAL  16  17.729  -8.444   0.021
  132   HG12  VAL  16          HG12      VAL  16  17.162  -6.798  -0.260
  133   HG13  VAL  16          HG13      VAL  16  16.675  -8.097  -1.349
  134   HG21  VAL  16          HG21      VAL  16  16.956  -8.084   2.274
  135   HG22  VAL  16          HG22      VAL  16  15.235  -8.132   2.652
  136   HG23  VAL  16          HG23      VAL  16  15.969  -6.636   2.078
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  25.430  -1.329   0.703
    2    H2   ARG   1           HT2      ARG   1  26.827  -0.696  -0.029
    3    H3   ARG   1           HT3      ARG   1  25.454  -1.042  -0.969
    4    HA   ARG   1           HA       ARG   1  26.116   1.346   0.351
    5    HB2  ARG   1           HB2      ARG   1  25.155   1.119  -1.913
    6    HB3  ARG   1           HB1      ARG   1  23.659   0.503  -1.212
    7    HG2  ARG   1           HG2      ARG   1  23.144   2.571  -0.192
    8    HG3  ARG   1           HG1      ARG   1  24.796   3.163  -0.358
    9    HD2  ARG   1           HD2      ARG   1  22.860   2.653  -2.629
   10    HD3  ARG   1           HD1      ARG   1  23.334   4.232  -2.012
   11    HE   ARG   1           HE       ARG   1  25.671   2.857  -2.730
   12   HH11  ARG   1          HH21      ARG   1  22.799   4.155  -4.155
   13   HH12  ARG   1          HH22      ARG   1  23.542   4.487  -5.684
   14   HH21  ARG   1          HH11      ARG   1  26.654   3.290  -4.733
   15   HH22  ARG   1          HH12      ARG   1  25.723   3.998  -6.012
   16    H    GLY   2           HN       GLY   2  22.749   0.468   0.262
   17    HA2  GLY   2           HA2      GLY   2  22.157  -0.388   2.789
   18    HA3  GLY   2           HA1      GLY   2  22.360   1.351   2.971
   19    H    GLY   3           HN       GLY   3  20.142  -1.033   2.389
   20    HA2  GLY   3           HA2      GLY   3  17.961   0.679   2.029
   21    HA3  GLY   3           HA1      GLY   3  18.444   0.108   0.434
   22    H    ARG   4           HN       ARG   4  16.297  -0.467   2.771
   23    HA   ARG   4           HA       ARG   4  15.953  -3.261   1.960
   24    HB2  ARG   4           HB2      ARG   4  16.325  -2.328   4.805
   25    HB3  ARG   4           HB1      ARG   4  15.466  -3.820   4.416
   26    HG2  ARG   4           HG2      ARG   4  17.444  -4.638   3.182
   27    HG3  ARG   4           HG1      ARG   4  18.308  -3.154   3.587
   28    HD2  ARG   4           HD2      ARG   4  17.108  -4.884   5.745
   29    HD3  ARG   4           HD1      ARG   4  18.702  -5.235   5.083
   30    HE   ARG   4           HE       ARG   4  18.803  -2.568   5.730
   31   HH11  ARG   4          HH21      ARG   4  18.012  -5.513   7.364
   32   HH12  ARG   4          HH22      ARG   4  18.562  -4.963   8.913
   33   HH21  ARG   4          HH11      ARG   4  19.528  -1.840   7.755
   34   HH22  ARG   4          HH12      ARG   4  19.420  -2.883   9.134
   35    H    LEU   5           HN       LEU   5  13.919  -3.517   1.343
   36    HA   LEU   5           HA       LEU   5  11.799  -1.952   2.696
   37    HB2  LEU   5           HB2      LEU   5  10.712  -2.219   0.264
   38    HB3  LEU   5           HB1      LEU   5  11.742  -0.849   0.676
   39    HG   LEU   5           HG       LEU   5  13.078  -3.330  -0.342
   40   HD11  LEU   5          HD11      LEU   5  11.365  -3.197  -1.983
   41   HD12  LEU   5          HD12      LEU   5  12.742  -2.354  -2.694
   42   HD13  LEU   5          HD13      LEU   5  11.406  -1.434  -1.999
   43   HD21  LEU   5          HD21      LEU   5  14.175  -1.105   0.429
   44   HD22  LEU   5          HD22      LEU   5  13.577  -0.445  -1.093
   45   HD23  LEU   5          HD23      LEU   5  14.712  -1.796  -1.101
   46    H    CYS   6           HN       CYS   6   9.796  -3.004   2.924
   47    HA   CYS   6           HA       CYS   6   9.808  -5.894   2.286
   48    HB2  CYS   6           HB2      CYS   6   8.941  -4.545   4.841
   49    HB3  CYS   6           HB1      CYS   6   8.552  -6.217   4.439
   50    H    TYR   7           HN       TYR   7   8.384  -6.041   0.669
   51    HA   TYR   7           HA       TYR   7   5.996  -4.426   0.551
   52    HB2  TYR   7           HB2      TYR   7   7.051  -6.725  -1.094
   53    HB3  TYR   7           HB1      TYR   7   5.458  -6.025  -1.377
   54    HD1  TYR   7           HD2      TYR   7   5.454  -3.342  -1.395
   55    HD2  TYR   7           HD1      TYR   7   8.833  -5.835  -2.303
   56    HE1  TYR   7           HE2      TYR   7   6.487  -1.480  -2.652
   57    HE2  TYR   7           HE1      TYR   7   9.866  -3.974  -3.562
   58    HH   TYR   7           HH       TYR   7   9.453  -1.129  -3.315
   59    H    CYS   8           HN       CYS   8   3.890  -5.071   0.969
   60    HA   CYS   8           HA       CYS   8   3.451  -7.790   1.987
   61    HB2  CYS   8           HB2      CYS   8   3.769  -5.574   3.690
   62    HB3  CYS   8           HB1      CYS   8   2.034  -5.886   3.645
   63    H    ARG   9           HN       ARG   9   1.793  -8.615   0.942
   64    HA   ARG   9           HA       ARG   9  -0.513  -6.881   0.292
   65    HB2  ARG   9           HB2      ARG   9   0.709  -8.985  -1.514
   66    HB3  ARG   9           HB1      ARG   9  -0.749  -8.054  -1.854
   67    HG2  ARG   9           HG2      ARG   9   1.233  -6.145  -1.179
   68    HG3  ARG   9           HG1      ARG   9   2.024  -7.296  -2.256
   69    HD2  ARG   9           HD2      ARG   9   0.986  -5.498  -3.557
   70    HD3  ARG   9           HD1      ARG   9   0.176  -7.029  -3.882
   71    HE   ARG   9           HE       ARG   9  -1.745  -6.155  -2.911
   72   HH11  ARG   9          HH21      ARG   9   1.037  -4.269  -2.090
   73   HH12  ARG   9          HH22      ARG   9   0.128  -3.007  -1.329
   74   HH21  ARG   9          HH11      ARG   9  -2.945  -4.503  -1.914
   75   HH22  ARG   9          HH12      ARG   9  -2.125  -3.139  -1.229
   76    H    ARG  10           HN       ARG  10  -2.522  -7.853   0.468
   77    HA   ARG  10           HA       ARG  10  -4.044  -9.263   1.477
   78    HB2  ARG  10           HB2      ARG  10  -2.284 -11.141  -0.101
   79    HB3  ARG  10           HB1      ARG  10  -3.721 -11.699   0.757
   80    HG2  ARG  10           HG2      ARG  10  -5.148 -10.245  -0.527
   81    HG3  ARG  10           HG1      ARG  10  -3.759  -9.432  -1.249
   82    HD2  ARG  10           HD2      ARG  10  -3.168 -11.346  -2.525
   83    HD3  ARG  10           HD1      ARG  10  -4.215 -12.398  -1.578
   84    HE   ARG  10           HE       ARG  10  -4.996 -10.792  -3.825
   85   HH11  ARG  10          HH21      ARG  10  -6.007 -12.099  -0.785
   86   HH12  ARG  10          HH22      ARG  10  -7.688 -12.124  -1.197
   87   HH21  ARG  10          HH11      ARG  10  -7.200 -10.825  -4.375
   88   HH22  ARG  10          HH12      ARG  10  -8.365 -11.403  -3.230
   89    H    ARG  11           HN       ARG  11  -1.948 -11.957   1.685
   90    HA   ARG  11           HA       ARG  11  -1.349 -11.410   4.526
   91    HB2  ARG  11           HB2      ARG  11  -2.611 -13.901   3.367
   92    HB3  ARG  11           HB1      ARG  11  -1.863 -13.851   4.960
   93    HG2  ARG  11           HG2      ARG  11  -3.983 -13.292   5.630
   94    HG3  ARG  11           HG1      ARG  11  -3.479 -11.673   5.152
   95    HD2  ARG  11           HD2      ARG  11  -5.679 -12.298   4.182
   96    HD3  ARG  11           HD1      ARG  11  -4.472 -11.983   2.940
   97    HE   ARG  11           HE       ARG  11  -4.240 -14.641   3.230
   98   HH11  ARG  11          HH21      ARG  11  -6.992 -12.558   2.970
   99   HH12  ARG  11          HH22      ARG  11  -7.993 -13.746   2.203
  100   HH21  ARG  11          HH11      ARG  11  -5.548 -16.204   2.224
  101   HH22  ARG  11          HH12      ARG  11  -7.175 -15.810   1.779
  102    H    PHE  12           HN       PHE  12   0.537 -10.974   2.651
  103    HA   PHE  12           HA       PHE  12   2.500 -13.023   3.287
  104    HB2  PHE  12           HB2      PHE  12   1.269 -13.654   1.089
  105    HB3  PHE  12           HB1      PHE  12   2.167 -12.312   0.379
  106    HD1  PHE  12           HD2      PHE  12   2.663 -15.379   2.476
  107    HD2  PHE  12           HD1      PHE  12   4.359 -12.661  -0.387
  108    HE1  PHE  12           HE2      PHE  12   4.669 -16.826   2.289
  109    HE2  PHE  12           HE1      PHE  12   6.363 -14.109  -0.574
  110    HZ   PHE  12           HZ       PHE  12   6.518 -16.192   0.764
  111    H    CYS  13           HN       CYS  13   4.483 -12.147   3.539
  112    HA   CYS  13           HA       CYS  13   4.913  -9.395   2.538
  113    HB2  CYS  13           HB2      CYS  13   4.799 -10.258   5.216
  114    HB3  CYS  13           HB1      CYS  13   6.508  -9.997   4.878
  115    H    VAL  14           HN       VAL  14   7.043  -8.838   1.927
  116    HA   VAL  14           HA       VAL  14   9.063 -10.952   1.851
  117    HB   VAL  14           HB       VAL  14   7.932  -9.691  -0.659
  118   HG11  VAL  14          HG11      VAL  14   9.621 -11.269  -1.744
  119   HG12  VAL  14          HG12      VAL  14  10.361 -11.425  -0.153
  120   HG13  VAL  14          HG13      VAL  14  10.302  -9.852  -0.947
  121   HG21  VAL  14          HG21      VAL  14   7.602 -12.173  -1.205
  122   HG22  VAL  14          HG22      VAL  14   6.529 -11.503   0.023
  123   HG23  VAL  14          HG23      VAL  14   7.912 -12.488   0.502
  124    H    CYS  15           HN       CYS  15  11.081 -10.144   2.005
  125    HA   CYS  15           HA       CYS  15  11.429  -7.226   1.639
  126    HB2  CYS  15           HB2      CYS  15  12.903  -8.999   3.593
  127    HB3  CYS  15           HB1      CYS  15  13.022  -7.244   3.458
  128    H    VAL  16           HN       VAL  16  13.499  -6.503   0.923
  129    HA   VAL  16           HA       VAL  16  14.646  -8.236  -1.076
  130    HB   VAL  16           HB       VAL  16  16.068  -6.305  -1.604
  131   HG11  VAL  16          HG11      VAL  16  13.783  -6.353  -2.498
  132   HG12  VAL  16          HG12      VAL  16  14.249  -4.696  -2.117
  133   HG13  VAL  16          HG13      VAL  16  13.178  -5.582  -1.031
  134   HG21  VAL  16          HG21      VAL  16  16.560  -5.456   0.597
  135   HG22  VAL  16          HG22      VAL  16  14.849  -5.207   0.945
  136   HG23  VAL  16          HG23      VAL  16  15.664  -4.194  -0.248
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  17.391  -2.440  -8.587
    2    H2   ARG   1           HT2      ARG   1  16.449  -1.083  -8.981
    3    H3   ARG   1           HT3      ARG   1  15.875  -2.221  -7.858
    4    HA   ARG   1           HA       ARG   1  18.402  -1.257  -7.034
    5    HB2  ARG   1           HB2      ARG   1  17.457   0.690  -8.475
    6    HB3  ARG   1           HB1      ARG   1  16.293   0.894  -7.167
    7    HG2  ARG   1           HG2      ARG   1  18.323   0.915  -5.588
    8    HG3  ARG   1           HG1      ARG   1  19.301   1.129  -7.040
    9    HD2  ARG   1           HD2      ARG   1  17.202   2.969  -5.907
   10    HD3  ARG   1           HD1      ARG   1  18.878   3.333  -6.307
   11    HE   ARG   1           HE       ARG   1  17.818   2.653  -8.715
   12   HH11  ARG   1          HH21      ARG   1  16.853   4.787  -6.170
   13   HH12  ARG   1          HH22      ARG   1  16.057   5.909  -7.223
   14   HH21  ARG   1          HH11      ARG   1  16.778   4.121 -10.106
   15   HH22  ARG   1          HH12      ARG   1  16.015   5.531  -9.453
   16    H    GLY   2           HN       GLY   2  18.290  -0.807  -4.754
   17    HA2  GLY   2           HA2      GLY   2  15.840  -0.850  -3.295
   18    HA3  GLY   2           HA1      GLY   2  16.600  -2.438  -3.279
   19    H    GLY   3           HN       GLY   3  16.999  -2.346  -1.049
   20    HA2  GLY   3           HA2      GLY   3  19.439  -1.736  -0.095
   21    HA3  GLY   3           HA1      GLY   3  18.605  -0.192   0.061
   22    H    ARG   4           HN       ARG   4  16.141  -0.764   0.876
   23    HA   ARG   4           HA       ARG   4  15.995  -2.782   2.903
   24    HB2  ARG   4           HB2      ARG   4  15.666  -0.911   4.729
   25    HB3  ARG   4           HB1      ARG   4  17.284  -1.493   4.343
   26    HG2  ARG   4           HG2      ARG   4  17.733   0.394   2.939
   27    HG3  ARG   4           HG1      ARG   4  16.042   0.896   2.965
   28    HD2  ARG   4           HD2      ARG   4  17.493   0.667   5.575
   29    HD3  ARG   4           HD1      ARG   4  17.832   2.058   4.553
   30    HE   ARG   4           HE       ARG   4  15.299   1.455   5.889
   31   HH11  ARG   4          HH21      ARG   4  17.097   3.358   3.623
   32   HH12  ARG   4          HH22      ARG   4  15.966   4.668   3.617
   33   HH21  ARG   4          HH11      ARG   4  13.810   3.169   5.882
   34   HH22  ARG   4          HH12      ARG   4  14.106   4.562   4.892
   35    H    LEU   5           HN       LEU   5  14.020  -3.333   2.088
   36    HA   LEU   5           HA       LEU   5  11.789  -1.653   2.835
   37    HB2  LEU   5           HB2      LEU   5  10.824  -1.847   0.445
   38    HB3  LEU   5           HB1      LEU   5  12.043  -0.610   0.742
   39    HG   LEU   5           HG       LEU   5  13.783  -2.302  -0.044
   40   HD11  LEU   5          HD11      LEU   5  12.954  -4.421  -0.184
   41   HD12  LEU   5          HD12      LEU   5  12.389  -3.903  -1.769
   42   HD13  LEU   5          HD13      LEU   5  11.291  -3.871  -0.392
   43   HD21  LEU   5          HD21      LEU   5  13.112  -0.468  -1.474
   44   HD22  LEU   5          HD22      LEU   5  11.629  -1.306  -1.932
   45   HD23  LEU   5          HD23      LEU   5  13.192  -1.926  -2.462
   46    H    CYS   6           HN       CYS   6   9.788  -2.803   2.808
   47    HA   CYS   6           HA       CYS   6   9.990  -5.671   2.177
   48    HB2  CYS   6           HB2      CYS   6   9.028  -4.545   4.812
   49    HB3  CYS   6           HB1      CYS   6   8.905  -6.237   4.327
   50    H    TYR   7           HN       TYR   7   8.399  -6.255   0.923
   51    HA   TYR   7           HA       TYR   7   6.032  -4.610   0.622
   52    HB2  TYR   7           HB2      TYR   7   7.004  -7.148  -0.693
   53    HB3  TYR   7           HB1      TYR   7   5.419  -6.450  -1.036
   54    HD1  TYR   7           HD2      TYR   7   9.060  -5.639  -0.950
   55    HD2  TYR   7           HD1      TYR   7   5.198  -4.665  -2.551
   56    HE1  TYR   7           HE2      TYR   7  10.112  -4.014  -2.490
   57    HE2  TYR   7           HE1      TYR   7   6.245  -3.037  -4.091
   58    HH   TYR   7           HH       TYR   7   8.703  -2.826  -5.151
   59    H    CYS   8           HN       CYS   8   3.993  -5.095   1.340
   60    HA   CYS   8           HA       CYS   8   3.445  -7.696   2.548
   61    HB2  CYS   8           HB2      CYS   8   4.290  -5.548   4.153
   62    HB3  CYS   8           HB1      CYS   8   2.542  -5.618   4.366
   63    H    ARG   9           HN       ARG   9   1.655  -8.244   1.493
   64    HA   ARG   9           HA       ARG   9  -0.672  -6.485   1.644
   65    HB2  ARG   9           HB2      ARG   9   0.896  -6.616  -0.711
   66    HB3  ARG   9           HB1      ARG   9  -0.547  -7.570  -1.034
   67    HG2  ARG   9           HG2      ARG   9  -1.068  -5.311  -1.654
   68    HG3  ARG   9           HG1      ARG   9  -1.916  -5.629  -0.143
   69    HD2  ARG   9           HD2      ARG   9  -0.544  -3.403  -0.417
   70    HD3  ARG   9           HD1      ARG   9  -0.479  -4.281   1.106
   71    HE   ARG   9           HE       ARG   9   1.747  -4.820   0.651
   72   HH11  ARG   9          HH21      ARG   9   0.159  -3.486  -2.119
   73   HH12  ARG   9          HH22      ARG   9   1.617  -3.296  -3.035
   74   HH21  ARG   9          HH11      ARG   9   3.661  -4.575  -0.544
   75   HH22  ARG   9          HH12      ARG   9   3.599  -3.911  -2.143
   76    H    ARG  10           HN       ARG  10  -2.659  -7.589   1.319
   77    HA   ARG  10           HA       ARG  10  -4.016  -9.384   1.861
   78    HB2  ARG  10           HB2      ARG  10  -2.315 -10.542  -0.361
   79    HB3  ARG  10           HB1      ARG  10  -3.843 -11.221   0.200
   80    HG2  ARG  10           HG2      ARG  10  -5.042  -9.219  -0.446
   81    HG3  ARG  10           HG1      ARG  10  -3.534  -8.390  -0.837
   82    HD2  ARG  10           HD2      ARG  10  -4.336 -10.964  -2.198
   83    HD3  ARG  10           HD1      ARG  10  -4.853  -9.394  -2.805
   84    HE   ARG  10           HE       ARG  10  -2.099  -9.226  -2.459
   85   HH11  ARG  10          HH21      ARG  10  -4.378 -11.121  -4.243
   86   HH12  ARG  10          HH22      ARG  10  -3.306 -11.404  -5.576
   87   HH21  ARG  10          HH11      ARG  10  -0.689  -9.593  -4.200
   88   HH22  ARG  10          HH12      ARG  10  -1.218 -10.539  -5.552
   89    H    ARG  11           HN       ARG  11  -2.480 -12.093   0.985
   90    HA   ARG  11           HA       ARG  11  -1.520 -12.622   3.731
   91    HB2  ARG  11           HB2      ARG  11  -1.971 -14.991   3.232
   92    HB3  ARG  11           HB1      ARG  11  -3.418 -14.004   3.038
   93    HG2  ARG  11           HG2      ARG  11  -2.135 -13.949   0.520
   94    HG3  ARG  11           HG1      ARG  11  -2.036 -15.625   1.057
   95    HD2  ARG  11           HD2      ARG  11  -4.505 -13.933   0.669
   96    HD3  ARG  11           HD1      ARG  11  -4.108 -15.469  -0.093
   97    HE   ARG  11           HE       ARG  11  -4.224 -15.899   2.676
   98   HH11  ARG  11          HH21      ARG  11  -6.259 -14.968   0.037
   99   HH12  ARG  11          HH22      ARG  11  -7.700 -15.632   0.732
  100   HH21  ARG  11          HH11      ARG  11  -6.112 -16.772   3.595
  101   HH22  ARG  11          HH12      ARG  11  -7.617 -16.652   2.747
  102    H    PHE  12           HN       PHE  12   0.291 -11.304   2.210
  103    HA   PHE  12           HA       PHE  12   2.403 -13.281   1.953
  104    HB2  PHE  12           HB2      PHE  12   1.461 -13.365  -0.291
  105    HB3  PHE  12           HB1      PHE  12   1.536 -11.608  -0.418
  106    HD1  PHE  12           HD1      PHE  12   3.708 -14.592   0.233
  107    HD2  PHE  12           HD2      PHE  12   3.461 -10.585  -1.294
  108    HE1  PHE  12           HE1      PHE  12   6.050 -14.753  -0.566
  109    HE2  PHE  12           HE2      PHE  12   5.803 -10.745  -2.093
  110    HZ   PHE  12           HZ       PHE  12   7.098 -12.830  -1.729
  111    H    CYS  13           HN       CYS  13   4.450 -12.402   2.159
  112    HA   CYS  13           HA       CYS  13   4.848  -9.533   2.131
  113    HB2  CYS  13           HB2      CYS  13   3.872 -10.349   4.454
  114    HB3  CYS  13           HB1      CYS  13   5.541 -10.844   4.730
  115    H    VAL  14           HN       VAL  14   7.078  -8.953   2.134
  116    HA   VAL  14           HA       VAL  14   9.106 -10.978   2.500
  117    HB   VAL  14           HB       VAL  14   8.314 -11.629   0.285
  118   HG11  VAL  14          HG11      VAL  14   7.349  -9.427  -0.339
  119   HG12  VAL  14          HG12      VAL  14   8.421 -10.052  -1.591
  120   HG13  VAL  14          HG13      VAL  14   8.980  -8.777  -0.509
  121   HG21  VAL  14          HG21      VAL  14  10.803 -11.563   0.906
  122   HG22  VAL  14          HG22      VAL  14  10.896 -10.090  -0.062
  123   HG23  VAL  14          HG23      VAL  14  10.430 -11.614  -0.819
  124    H    CYS  15           HN       CYS  15  11.211 -10.160   2.491
  125    HA   CYS  15           HA       CYS  15  11.399  -7.207   2.452
  126    HB2  CYS  15           HB2      CYS  15  12.697  -9.262   4.226
  127    HB3  CYS  15           HB1      CYS  15  13.366  -7.640   4.049
  128    H    VAL  16           HN       VAL  16  13.568  -6.348   1.943
  129    HA   VAL  16           HA       VAL  16  15.131  -6.077   0.255
  130    HB   VAL  16           HB       VAL  16  15.947  -8.846   1.154
  131   HG11  VAL  16          HG11      VAL  16  17.587  -6.458   0.259
  132   HG12  VAL  16          HG12      VAL  16  17.129  -7.788  -0.802
  133   HG13  VAL  16          HG13      VAL  16  18.178  -8.086   0.585
  134   HG21  VAL  16          HG21      VAL  16  15.549  -7.522   3.146
  135   HG22  VAL  16          HG22      VAL  16  16.379  -6.135   2.443
  136   HG23  VAL  16          HG23      VAL  16  17.291  -7.581   2.875
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  14.563   4.246   6.791
    2    H2   ARG   1           HT2      ARG   1  14.007   2.772   7.430
    3    H3   ARG   1           HT3      ARG   1  14.851   2.798   5.956
    4    HA   ARG   1           HA       ARG   1  16.256   3.959   8.206
    5    HB2  ARG   1           HB2      ARG   1  14.919   1.522   8.603
    6    HB3  ARG   1           HB1      ARG   1  16.571   1.052   8.210
    7    HG2  ARG   1           HG2      ARG   1  15.885   3.143  10.296
    8    HG3  ARG   1           HG1      ARG   1  16.150   1.441  10.673
    9    HD2  ARG   1           HD2      ARG   1  18.166   3.208   9.259
   10    HD3  ARG   1           HD1      ARG   1  18.199   2.841  10.981
   11    HE   ARG   1           HE       ARG   1  18.951   1.062   8.821
   12   HH11  ARG   1          HH21      ARG   1  17.874   1.378  12.096
   13   HH12  ARG   1          HH22      ARG   1  18.511  -0.153  12.598
   14   HH21  ARG   1          HH11      ARG   1  19.786  -0.948   9.472
   15   HH22  ARG   1          HH12      ARG   1  19.592  -1.469  11.113
   16    H    GLY   2           HN       GLY   2  18.302   1.929   7.999
   17    HA2  GLY   2           HA2      GLY   2  19.984   2.887   6.087
   18    HA3  GLY   2           HA1      GLY   2  20.034   1.213   6.634
   19    H    GLY   3           HN       GLY   3  18.435  -0.279   5.559
   20    HA2  GLY   3           HA2      GLY   3  17.389   0.446   2.980
   21    HA3  GLY   3           HA1      GLY   3  18.853  -0.525   2.863
   22    H    ARG   4           HN       ARG   4  15.499  -0.588   3.237
   23    HA   ARG   4           HA       ARG   4  15.429  -3.454   3.227
   24    HB2  ARG   4           HB2      ARG   4  15.798  -2.822   5.685
   25    HB3  ARG   4           HB1      ARG   4  14.162  -2.162   5.639
   26    HG2  ARG   4           HG2      ARG   4  13.517  -4.486   4.628
   27    HG3  ARG   4           HG1      ARG   4  15.052  -5.021   5.312
   28    HD2  ARG   4           HD2      ARG   4  12.626  -3.953   6.739
   29    HD3  ARG   4           HD1      ARG   4  13.512  -5.443   7.041
   30    HE   ARG   4           HE       ARG   4  14.212  -2.781   7.995
   31   HH11  ARG   4          HH21      ARG   4  15.173  -6.052   7.400
   32   HH12  ARG   4          HH22      ARG   4  16.475  -6.023   8.542
   33   HH21  ARG   4          HH11      ARG   4  15.918  -2.735   9.493
   34   HH22  ARG   4          HH12      ARG   4  16.896  -4.143   9.727
   35    H    LEU   5           HN       LEU   5  13.981  -3.651   1.637
   36    HA   LEU   5           HA       LEU   5  11.535  -1.986   1.721
   37    HB2  LEU   5           HB2      LEU   5  12.523  -3.571  -0.649
   38    HB3  LEU   5           HB1      LEU   5  11.373  -2.234  -0.629
   39    HG   LEU   5           HG       LEU   5  14.326  -2.042   0.038
   40   HD11  LEU   5          HD11      LEU   5  14.492  -0.771  -2.035
   41   HD12  LEU   5          HD12      LEU   5  12.753  -0.915  -2.298
   42   HD13  LEU   5          HD13      LEU   5  13.781  -2.347  -2.383
   43   HD21  LEU   5          HD21      LEU   5  12.052  -0.047   0.080
   44   HD22  LEU   5          HD22      LEU   5  13.731   0.466  -0.077
   45   HD23  LEU   5          HD23      LEU   5  13.209  -0.410   1.360
   46    H    CYS   6           HN       CYS   6  10.328  -3.255   3.139
   47    HA   CYS   6           HA       CYS   6   9.907  -6.073   2.458
   48    HB2  CYS   6           HB2      CYS   6   9.033  -4.433   4.833
   49    HB3  CYS   6           HB1      CYS   6   8.640  -6.134   4.603
   50    H    TYR   7           HN       TYR   7   8.639  -6.057   0.672
   51    HA   TYR   7           HA       TYR   7   6.276  -4.452   0.427
   52    HB2  TYR   7           HB2      TYR   7   7.390  -6.811  -1.084
   53    HB3  TYR   7           HB1      TYR   7   5.794  -6.155  -1.453
   54    HD1  TYR   7           HD1      TYR   7   9.405  -5.319  -1.226
   55    HD2  TYR   7           HD2      TYR   7   5.535  -4.097  -2.619
   56    HE1  TYR   7           HE1      TYR   7  10.454  -3.491  -2.524
   57    HE2  TYR   7           HE2      TYR   7   6.576  -2.267  -3.919
   58    HH   TYR   7           HH       TYR   7  10.108  -1.912  -4.088
   59    H    CYS   8           HN       CYS   8   4.195  -4.947   0.956
   60    HA   CYS   8           HA       CYS   8   3.653  -7.623   2.087
   61    HB2  CYS   8           HB2      CYS   8   3.677  -5.107   3.477
   62    HB3  CYS   8           HB1      CYS   8   2.031  -5.738   3.455
   63    H    ARG   9           HN       ARG   9   2.241  -8.543   0.772
   64    HA   ARG   9           HA       ARG   9  -0.038  -6.931  -0.220
   65    HB2  ARG   9           HB2      ARG   9   1.526  -7.594  -2.036
   66    HB3  ARG   9           HB1      ARG   9   1.297  -9.283  -1.589
   67    HG2  ARG   9           HG2      ARG   9  -0.164  -8.707  -3.473
   68    HG3  ARG   9           HG1      ARG   9  -1.131  -9.067  -2.045
   69    HD2  ARG   9           HD2      ARG   9  -1.629  -6.908  -3.496
   70    HD3  ARG   9           HD1      ARG   9  -1.759  -6.854  -1.742
   71    HE   ARG   9           HE       ARG   9   0.107  -5.463  -1.695
   72   HH11  ARG   9          HH21      ARG   9  -0.267  -6.976  -4.785
   73   HH12  ARG   9          HH22      ARG   9   0.960  -6.026  -5.554
   74   HH21  ARG   9          HH11      ARG   9   1.720  -4.213  -2.697
   75   HH22  ARG   9          HH12      ARG   9   2.085  -4.462  -4.371
   76    H    ARG  10           HN       ARG  10  -1.936  -7.572   0.564
   77    HA   ARG  10           HA       ARG  10  -3.549  -8.845   1.587
   78    HB2  ARG  10           HB2      ARG  10  -2.118 -10.953  -0.039
   79    HB3  ARG  10           HB1      ARG  10  -3.586 -11.285   0.879
   80    HG2  ARG  10           HG2      ARG  10  -3.565  -8.929  -0.981
   81    HG3  ARG  10           HG1      ARG  10  -3.720 -10.544  -1.669
   82    HD2  ARG  10           HD2      ARG  10  -5.643 -10.986  -0.167
   83    HD3  ARG  10           HD1      ARG  10  -5.506  -9.350   0.473
   84    HE   ARG  10           HE       ARG  10  -5.762  -8.885  -2.169
   85   HH11  ARG  10          HH21      ARG  10  -7.452 -10.953   0.033
   86   HH12  ARG  10          HH22      ARG  10  -8.962 -10.850  -0.811
   87   HH21  ARG  10          HH11      ARG  10  -7.737  -8.749  -3.282
   88   HH22  ARG  10          HH12      ARG  10  -9.122  -9.601  -2.689
   89    H    ARG  11           HN       ARG  11  -2.194 -11.853   1.850
   90    HA   ARG  11           HA       ARG  11  -1.391 -11.345   4.654
   91    HB2  ARG  11           HB2      ARG  11  -2.464 -13.841   3.320
   92    HB3  ARG  11           HB1      ARG  11  -1.905 -13.766   4.989
   93    HG2  ARG  11           HG2      ARG  11  -3.749 -12.602   5.701
   94    HG3  ARG  11           HG1      ARG  11  -3.875 -11.683   4.201
   95    HD2  ARG  11           HD2      ARG  11  -4.511 -14.629   4.276
   96    HD3  ARG  11           HD1      ARG  11  -5.723 -13.424   4.705
   97    HE   ARG  11           HE       ARG  11  -4.529 -12.742   2.221
   98   HH11  ARG  11          HH21      ARG  11  -6.662 -15.019   3.715
   99   HH12  ARG  11          HH22      ARG  11  -7.573 -15.320   2.274
  100   HH21  ARG  11          HH11      ARG  11  -5.720 -13.131   0.327
  101   HH22  ARG  11          HH12      ARG  11  -7.040 -14.251   0.356
  102    H    PHE  12           HN       PHE  12   0.323 -11.060   2.264
  103    HA   PHE  12           HA       PHE  12   2.419 -12.985   3.060
  104    HB2  PHE  12           HB2      PHE  12   2.132 -12.111   0.197
  105    HB3  PHE  12           HB1      PHE  12   2.966 -13.519   0.852
  106    HD1  PHE  12           HD2      PHE  12   1.598 -15.401   1.866
  107    HD2  PHE  12           HD1      PHE  12  -0.166 -12.213  -0.408
  108    HE1  PHE  12           HE2      PHE  12  -0.446 -16.766   1.540
  109    HE2  PHE  12           HE1      PHE  12  -2.210 -13.577  -0.735
  110    HZ   PHE  12           HZ       PHE  12  -2.351 -15.855   0.239
  111    H    CYS  13           HN       CYS  13   4.542 -12.198   2.940
  112    HA   CYS  13           HA       CYS  13   4.947  -9.425   2.103
  113    HB2  CYS  13           HB2      CYS  13   4.384  -9.908   4.738
  114    HB3  CYS  13           HB1      CYS  13   6.143 -10.003   4.737
  115    H    VAL  14           HN       VAL  14   7.229  -8.832   1.966
  116    HA   VAL  14           HA       VAL  14   9.244 -10.867   2.296
  117    HB   VAL  14           HB       VAL  14   8.146 -11.658   0.221
  118   HG11  VAL  14          HG11      VAL  14   9.094  -9.051  -0.993
  119   HG12  VAL  14          HG12      VAL  14   7.431  -9.320  -0.473
  120   HG13  VAL  14          HG13      VAL  14   8.121 -10.305  -1.764
  121   HG21  VAL  14          HG21      VAL  14  10.835 -10.428  -0.428
  122   HG22  VAL  14          HG22      VAL  14  10.170 -11.951  -1.017
  123   HG23  VAL  14          HG23      VAL  14  10.667 -11.799   0.668
  124    H    CYS  15           HN       CYS  15  11.279 -10.009   2.319
  125    HA   CYS  15           HA       CYS  15  11.507  -7.125   1.696
  126    HB2  CYS  15           HB2      CYS  15  13.186  -8.660   3.677
  127    HB3  CYS  15           HB1      CYS  15  13.086  -6.910   3.474
  128    H    VAL  16           HN       VAL  16  13.243  -6.380   0.564
  129    HA   VAL  16           HA       VAL  16  14.946  -6.447  -0.976
  130    HB   VAL  16           HB       VAL  16  15.834  -8.926   0.512
  131   HG11  VAL  16          HG11      VAL  16  17.009  -8.475  -1.607
  132   HG12  VAL  16          HG12      VAL  16  18.071  -8.175  -0.232
  133   HG13  VAL  16          HG13      VAL  16  17.329  -6.821  -1.084
  134   HG21  VAL  16          HG21      VAL  16  16.234  -5.982   1.111
  135   HG22  VAL  16          HG22      VAL  16  17.210  -7.259   1.833
  136   HG23  VAL  16          HG23      VAL  16  15.477  -7.188   2.151
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  21.970   2.612  -3.830
    2    H2   ARG   1           HT2      ARG   1  21.181   3.450  -2.579
    3    H3   ARG   1           HT3      ARG   1  20.275   2.674  -3.790
    4    HA   ARG   1           HA       ARG   1  20.697   0.571  -2.978
    5    HB2  ARG   1           HB2      ARG   1  23.179   1.014  -2.831
    6    HB3  ARG   1           HB1      ARG   1  22.890   1.752  -1.254
    7    HG2  ARG   1           HG2      ARG   1  21.866  -0.366  -0.466
    8    HG3  ARG   1           HG1      ARG   1  22.218  -1.101  -2.029
    9    HD2  ARG   1           HD2      ARG   1  24.014  -1.751  -0.605
   10    HD3  ARG   1           HD1      ARG   1  24.658  -0.467  -1.624
   11    HE   ARG   1           HE       ARG   1  23.563   0.468   0.887
   12   HH11  ARG   1          HH21      ARG   1  26.309  -0.796  -0.795
   13   HH12  ARG   1          HH22      ARG   1  27.466  -0.129   0.308
   14   HH21  ARG   1          HH11      ARG   1  25.073   1.349   2.337
   15   HH22  ARG   1          HH12      ARG   1  26.767   1.087   2.082
   16    H    GLY   2           HN       GLY   2  18.814   0.409  -1.905
   17    HA2  GLY   2           HA2      GLY   2  18.110   2.151   0.277
   18    HA3  GLY   2           HA1      GLY   2  17.160   0.797  -0.328
   19    H    GLY   3           HN       GLY   3  17.300   1.195   2.366
   20    HA2  GLY   3           HA2      GLY   3  19.386  -0.517   3.487
   21    HA3  GLY   3           HA1      GLY   3  18.163   0.372   4.390
   22    H    ARG   4           HN       ARG   4  15.959  -0.457   4.364
   23    HA   ARG   4           HA       ARG   4  15.737  -3.328   3.706
   24    HB2  ARG   4           HB2      ARG   4  15.085  -2.000   6.343
   25    HB3  ARG   4           HB1      ARG   4  14.457  -3.585   5.881
   26    HG2  ARG   4           HG2      ARG   4  16.625  -4.546   5.806
   27    HG3  ARG   4           HG1      ARG   4  17.413  -2.968   5.798
   28    HD2  ARG   4           HD2      ARG   4  17.302  -4.362   8.031
   29    HD3  ARG   4           HD1      ARG   4  17.050  -2.620   8.069
   30    HE   ARG   4           HE       ARG   4  14.841  -3.007   8.668
   31   HH11  ARG   4          HH21      ARG   4  16.300  -5.865   7.370
   32   HH12  ARG   4          HH22      ARG   4  14.959  -6.892   7.759
   33   HH21  ARG   4          HH11      ARG   4  13.081  -4.347   9.180
   34   HH22  ARG   4          HH12      ARG   4  13.138  -6.033   8.784
   35    H    LEU   5           HN       LEU   5  13.896  -3.812   2.665
   36    HA   LEU   5           HA       LEU   5  11.553  -2.059   2.989
   37    HB2  LEU   5           HB2      LEU   5  12.616  -1.149   1.034
   38    HB3  LEU   5           HB1      LEU   5  12.888  -2.756   0.366
   39    HG   LEU   5           HG       LEU   5  10.528  -3.105   0.031
   40   HD11  LEU   5          HD11      LEU   5  10.275  -0.597   1.693
   41   HD12  LEU   5          HD12      LEU   5   9.489  -2.157   1.929
   42   HD13  LEU   5          HD13      LEU   5   8.974  -1.102   0.614
   43   HD21  LEU   5          HD21      LEU   5  11.544  -0.394  -0.845
   44   HD22  LEU   5          HD22      LEU   5   9.974  -1.002  -1.363
   45   HD23  LEU   5          HD23      LEU   5  11.442  -1.881  -1.788
   46    H    CYS   6           HN       CYS   6   9.984  -3.389   3.648
   47    HA   CYS   6           HA       CYS   6   9.901  -6.146   2.589
   48    HB2  CYS   6           HB2      CYS   6   9.013  -4.912   5.165
   49    HB3  CYS   6           HB1      CYS   6   8.253  -6.393   4.601
   50    H    TYR   7           HN       TYR   7   8.699  -6.015   0.767
   51    HA   TYR   7           HA       TYR   7   6.351  -4.407   0.511
   52    HB2  TYR   7           HB2      TYR   7   7.554  -6.664  -1.081
   53    HB3  TYR   7           HB1      TYR   7   5.949  -6.038  -1.474
   54    HD1  TYR   7           HD2      TYR   7   5.754  -3.426  -1.618
   55    HD2  TYR   7           HD1      TYR   7   9.429  -5.609  -1.999
   56    HE1  TYR   7           HE2      TYR   7   6.774  -1.499  -2.785
   57    HE2  TYR   7           HE1      TYR   7  10.456  -3.682  -3.164
   58    HH   TYR   7           HH       TYR   7  10.123  -1.653  -4.012
   59    H    CYS   8           HN       CYS   8   4.296  -4.846   1.096
   60    HA   CYS   8           HA       CYS   8   3.666  -7.590   2.015
   61    HB2  CYS   8           HB2      CYS   8   3.175  -4.941   3.318
   62    HB3  CYS   8           HB1      CYS   8   2.024  -6.251   3.578
   63    H    ARG   9           HN       ARG   9   1.928  -8.499   1.162
   64    HA   ARG   9           HA       ARG   9  -0.213  -6.843   0.022
   65    HB2  ARG   9           HB2      ARG   9   1.162  -9.063  -1.514
   66    HB3  ARG   9           HB1      ARG   9  -0.220  -8.111  -2.061
   67    HG2  ARG   9           HG2      ARG   9   1.371  -6.063  -1.574
   68    HG3  ARG   9           HG1      ARG   9   2.647  -7.269  -1.732
   69    HD2  ARG   9           HD2      ARG   9   2.395  -6.468  -3.928
   70    HD3  ARG   9           HD1      ARG   9   1.434  -7.945  -3.927
   71    HE   ARG   9           HE       ARG   9  -0.043  -5.534  -3.258
   72   HH11  ARG   9          HH21      ARG   9   1.053  -7.733  -5.695
   73   HH12  ARG   9          HH22      ARG   9  -0.169  -7.290  -6.840
   74   HH21  ARG   9          HH11      ARG   9  -1.645  -4.943  -4.752
   75   HH22  ARG   9          HH12      ARG   9  -1.699  -5.708  -6.306
   76    H    ARG  10           HN       ARG  10  -2.156  -7.642   0.555
   77    HA   ARG  10           HA       ARG  10  -3.755  -9.035   1.440
   78    HB2  ARG  10           HB2      ARG  10  -2.140 -11.270   0.196
   79    HB3  ARG  10           HB1      ARG  10  -3.872 -11.247   0.527
   80    HG2  ARG  10           HG2      ARG  10  -2.376  -9.564  -1.500
   81    HG3  ARG  10           HG1      ARG  10  -3.567 -10.820  -1.833
   82    HD2  ARG  10           HD2      ARG  10  -5.178  -9.369  -0.405
   83    HD3  ARG  10           HD1      ARG  10  -4.003  -8.080  -0.657
   84    HE   ARG  10           HE       ARG  10  -4.902  -9.450  -3.069
   85   HH11  ARG  10          HH21      ARG  10  -5.269  -6.819  -0.851
   86   HH12  ARG  10          HH22      ARG  10  -6.090  -5.797  -1.984
   87   HH21  ARG  10          HH11      ARG  10  -5.978  -8.118  -4.559
   88   HH22  ARG  10          HH12      ARG  10  -6.491  -6.533  -4.084
   89    H    ARG  11           HN       ARG  11  -2.126 -11.934   1.755
   90    HA   ARG  11           HA       ARG  11  -1.530 -11.390   4.608
   91    HB2  ARG  11           HB2      ARG  11  -2.054 -13.808   4.969
   92    HB3  ARG  11           HB1      ARG  11  -3.437 -12.861   4.426
   93    HG2  ARG  11           HG2      ARG  11  -2.044 -13.811   2.101
   94    HG3  ARG  11           HG1      ARG  11  -2.295 -15.177   3.186
   95    HD2  ARG  11           HD2      ARG  11  -4.206 -14.894   1.652
   96    HD3  ARG  11           HD1      ARG  11  -4.690 -14.647   3.327
   97    HE   ARG  11           HE       ARG  11  -3.961 -12.167   2.137
   98   HH11  ARG  11          HH21      ARG  11  -6.410 -14.614   2.169
   99   HH12  ARG  11          HH22      ARG  11  -7.690 -13.532   1.736
  100   HH21  ARG  11          HH11      ARG  11  -5.636 -10.744   1.568
  101   HH22  ARG  11          HH12      ARG  11  -7.253 -11.341   1.394
  102    H    PHE  12           HN       PHE  12   0.352 -11.040   2.453
  103    HA   PHE  12           HA       PHE  12   2.394 -12.953   3.353
  104    HB2  PHE  12           HB2      PHE  12   1.637 -12.444   0.471
  105    HB3  PHE  12           HB1      PHE  12   3.179 -13.152   0.951
  106    HD1  PHE  12           HD2      PHE  12   3.119 -15.243   2.456
  107    HD2  PHE  12           HD1      PHE  12  -0.290 -13.792   0.283
  108    HE1  PHE  12           HE2      PHE  12   2.040 -17.467   2.664
  109    HE2  PHE  12           HE1      PHE  12  -1.369 -16.015   0.490
  110    HZ   PHE  12           HZ       PHE  12  -0.204 -17.853   1.680
  111    H    CYS  13           HN       CYS  13   4.583 -12.215   2.926
  112    HA   CYS  13           HA       CYS  13   4.939  -9.474   2.025
  113    HB2  CYS  13           HB2      CYS  13   5.475 -10.297   4.884
  114    HB3  CYS  13           HB1      CYS  13   6.086  -8.813   4.152
  115    H    VAL  14           HN       VAL  14   7.169  -8.886   1.750
  116    HA   VAL  14           HA       VAL  14   9.224 -10.893   2.191
  117    HB   VAL  14           HB       VAL  14   8.303 -10.191  -0.607
  118   HG11  VAL  14          HG11      VAL  14  10.280 -11.712  -1.229
  119   HG12  VAL  14          HG12      VAL  14  10.862 -11.434   0.413
  120   HG13  VAL  14          HG13      VAL  14  10.677 -10.078  -0.698
  121   HG21  VAL  14          HG21      VAL  14   8.471 -12.734   1.025
  122   HG22  VAL  14          HG22      VAL  14   8.361 -12.762  -0.734
  123   HG23  VAL  14          HG23      VAL  14   7.061 -12.050   0.218
  124    H    CYS  15           HN       CYS  15  11.303 -10.052   2.046
  125    HA   CYS  15           HA       CYS  15  11.448  -7.137   1.581
  126    HB2  CYS  15           HB2      CYS  15  12.179  -8.700   3.868
  127    HB3  CYS  15           HB1      CYS  15  13.635  -7.978   3.191
  128    H    VAL  16           HN       VAL  16  13.584  -6.321   0.950
  129    HA   VAL  16           HA       VAL  16  14.519  -7.044  -1.431
  130    HB   VAL  16           HB       VAL  16  16.682  -6.124  -0.900
  131   HG11  VAL  16          HG11      VAL  16  14.610  -4.834   0.901
  132   HG12  VAL  16          HG12      VAL  16  14.693  -4.602  -0.845
  133   HG13  VAL  16          HG13      VAL  16  16.015  -4.048   0.181
  134   HG21  VAL  16          HG21      VAL  16  15.912  -6.849   1.935
  135   HG22  VAL  16          HG22      VAL  16  17.184  -5.677   1.584
  136   HG23  VAL  16          HG23      VAL  16  17.345  -7.347   1.035
  Start of MODEL   11
    1    H1   ARG   1           HT1      ARG   1  16.631  -0.764   5.958
    2    H2   ARG   1           HT2      ARG   1  16.416  -1.349   7.538
    3    H3   ARG   1           HT3      ARG   1  17.621  -2.012   6.539
    4    HA   ARG   1           HA       ARG   1  17.580   0.804   7.472
    5    HB2  ARG   1           HB2      ARG   1  19.557  -0.017   8.865
    6    HB3  ARG   1           HB1      ARG   1  17.966  -0.543   9.408
    7    HG2  ARG   1           HG2      ARG   1  19.343  -2.309   7.440
    8    HG3  ARG   1           HG1      ARG   1  20.032  -2.255   9.061
    9    HD2  ARG   1           HD2      ARG   1  17.113  -2.810   8.460
   10    HD3  ARG   1           HD1      ARG   1  18.316  -4.048   8.789
   11    HE   ARG   1           HE       ARG   1  18.509  -3.184  11.042
   12   HH11  ARG   1          HH21      ARG   1  15.945  -1.849   9.118
   13   HH12  ARG   1          HH22      ARG   1  15.028  -1.307  10.482
   14   HH21  ARG   1          HH11      ARG   1  17.298  -2.473  12.823
   15   HH22  ARG   1          HH12      ARG   1  15.790  -1.658  12.571
   16    H    GLY   2           HN       GLY   2  18.411  -1.367   5.111
   17    HA2  GLY   2           HA2      GLY   2  20.705   0.297   4.258
   18    HA3  GLY   2           HA1      GLY   2  20.799  -1.460   4.188
   19    H    GLY   3           HN       GLY   3  18.815   1.267   3.061
   20    HA2  GLY   3           HA2      GLY   3  17.470   1.488   1.188
   21    HA3  GLY   3           HA1      GLY   3  18.906   0.875   0.377
   22    H    ARG   4           HN       ARG   4  16.711  -0.799   2.620
   23    HA   ARG   4           HA       ARG   4  16.358  -2.923   0.616
   24    HB2  ARG   4           HB2      ARG   4  15.355  -2.953   3.462
   25    HB3  ARG   4           HB1      ARG   4  15.695  -4.324   2.404
   26    HG2  ARG   4           HG2      ARG   4  18.125  -3.523   2.386
   27    HG3  ARG   4           HG1      ARG   4  17.677  -2.457   3.718
   28    HD2  ARG   4           HD2      ARG   4  16.946  -4.376   5.047
   29    HD3  ARG   4           HD1      ARG   4  17.298  -5.463   3.709
   30    HE   ARG   4           HE       ARG   4  19.197  -4.382   5.566
   31   HH11  ARG   4          HH21      ARG   4  18.697  -5.401   2.297
   32   HH12  ARG   4          HH22      ARG   4  20.356  -5.813   2.024
   33   HH21  ARG   4          HH11      ARG   4  21.376  -4.923   5.218
   34   HH22  ARG   4          HH12      ARG   4  21.874  -5.542   3.678
   35    H    LEU   5           HN       LEU   5  14.133  -3.883   0.422
   36    HA   LEU   5           HA       LEU   5  11.980  -1.931   0.907
   37    HB2  LEU   5           HB2      LEU   5  11.140  -2.509  -1.469
   38    HB3  LEU   5           HB1      LEU   5  12.447  -1.338  -1.314
   39    HG   LEU   5           HG       LEU   5  13.219  -4.218  -1.590
   40   HD11  LEU   5          HD11      LEU   5  11.413  -3.832  -3.301
   41   HD12  LEU   5          HD12      LEU   5  12.991  -4.170  -4.008
   42   HD13  LEU   5          HD13      LEU   5  12.384  -2.515  -3.959
   43   HD21  LEU   5          HD21      LEU   5  14.323  -1.760  -2.970
   44   HD22  LEU   5          HD22      LEU   5  15.141  -3.292  -2.660
   45   HD23  LEU   5          HD23      LEU   5  14.795  -2.194  -1.329
   46    H    CYS   6           HN       CYS   6  10.385  -2.948   1.932
   47    HA   CYS   6           HA       CYS   6  10.133  -5.863   1.603
   48    HB2  CYS   6           HB2      CYS   6   8.904  -4.190   3.780
   49    HB3  CYS   6           HB1      CYS   6   9.129  -5.937   3.752
   50    H    TYR   7           HN       TYR   7   8.563  -6.648   0.444
   51    HA   TYR   7           HA       TYR   7   6.278  -4.976  -0.283
   52    HB2  TYR   7           HB2      TYR   7   7.256  -7.669  -1.242
   53    HB3  TYR   7           HB1      TYR   7   5.762  -6.917  -1.804
   54    HD1  TYR   7           HD1      TYR   7   6.029  -4.349  -2.471
   55    HD2  TYR   7           HD2      TYR   7   9.193  -7.249  -2.472
   56    HE1  TYR   7           HE1      TYR   7   7.312  -2.939  -4.040
   57    HE2  TYR   7           HE2      TYR   7  10.479  -5.845  -4.049
   58    HH   TYR   7           HH       TYR   7  10.506  -3.981  -5.262
   59    H    CYS   8           HN       CYS   8   4.168  -5.450   0.269
   60    HA   CYS   8           HA       CYS   8   3.581  -7.878   1.783
   61    HB2  CYS   8           HB2      CYS   8   3.563  -5.117   2.933
   62    HB3  CYS   8           HB1      CYS   8   2.331  -6.264   3.460
   63    H    ARG   9           HN       ARG   9   1.793  -8.698   0.966
   64    HA   ARG   9           HA       ARG   9  -0.377  -6.887   0.133
   65    HB2  ARG   9           HB2      ARG   9   1.139  -7.857  -1.778
   66    HB3  ARG   9           HB1      ARG   9   0.245  -9.343  -1.476
   67    HG2  ARG   9           HG2      ARG   9  -1.176  -8.402  -3.028
   68    HG3  ARG   9           HG1      ARG   9  -1.841  -7.652  -1.577
   69    HD2  ARG   9           HD2      ARG   9   0.309  -6.390  -3.302
   70    HD3  ARG   9           HD1      ARG   9  -1.407  -6.033  -3.452
   71    HE   ARG   9           HE       ARG   9   0.367  -5.125  -1.349
   72   HH11  ARG   9          HH21      ARG   9  -2.880  -5.796  -2.339
   73   HH12  ARG   9          HH22      ARG   9  -3.599  -4.711  -1.197
   74   HH21  ARG   9          HH11      ARG   9  -0.569  -3.698   0.152
   75   HH22  ARG   9          HH12      ARG   9  -2.292  -3.524   0.213
   76    H    ARG  10           HN       ARG  10  -2.198  -7.414   1.142
   77    HA   ARG  10           HA       ARG  10  -3.678  -8.593   2.455
   78    HB2  ARG  10           HB2      ARG  10  -4.083  -9.459   0.129
   79    HB3  ARG  10           HB1      ARG  10  -3.029 -10.818   0.510
   80    HG2  ARG  10           HG2      ARG  10  -4.509 -11.668   2.139
   81    HG3  ARG  10           HG1      ARG  10  -5.364 -10.135   2.294
   82    HD2  ARG  10           HD2      ARG  10  -5.369 -11.525  -0.361
   83    HD3  ARG  10           HD1      ARG  10  -6.428 -12.120   0.915
   84    HE   ARG  10           HE       ARG  10  -6.574  -9.256   0.438
   85   HH11  ARG  10          HH21      ARG  10  -7.759 -12.422  -0.295
   86   HH12  ARG  10          HH22      ARG  10  -9.303 -11.866  -0.851
   87   HH21  ARG  10          HH11      ARG  10  -8.595  -8.518  -0.291
   88   HH22  ARG  10          HH12      ARG  10  -9.776  -9.655  -0.850
   89    H    ARG  11           HN       ARG  11  -2.705 -11.750   1.922
   90    HA   ARG  11           HA       ARG  11  -1.502 -11.890   4.604
   91    HB2  ARG  11           HB2      ARG  11  -2.019 -14.303   4.455
   92    HB3  ARG  11           HB1      ARG  11  -3.457 -13.304   4.234
   93    HG2  ARG  11           HG2      ARG  11  -2.814 -13.482   1.673
   94    HG3  ARG  11           HG1      ARG  11  -1.943 -14.920   2.204
   95    HD2  ARG  11           HD2      ARG  11  -4.891 -14.371   2.239
   96    HD3  ARG  11           HD1      ARG  11  -4.032 -15.820   1.724
   97    HE   ARG  11           HE       ARG  11  -3.716 -15.321   4.533
   98   HH11  ARG  11          HH21      ARG  11  -5.829 -16.550   2.085
   99   HH12  ARG  11          HH22      ARG  11  -6.650 -17.645   3.146
  100   HH21  ARG  11          HH11      ARG  11  -4.788 -16.760   5.933
  101   HH22  ARG  11          HH12      ARG  11  -6.060 -17.765   5.325
  102    H    PHE  12           HN       PHE  12   0.176 -10.880   2.622
  103    HA   PHE  12           HA       PHE  12   2.210 -13.001   2.528
  104    HB2  PHE  12           HB2      PHE  12   0.832 -12.607   0.287
  105    HB3  PHE  12           HB1      PHE  12   1.935 -11.243   0.120
  106    HD1  PHE  12           HD2      PHE  12   1.844 -14.925   0.743
  107    HD2  PHE  12           HD1      PHE  12   4.154 -11.573  -0.629
  108    HE1  PHE  12           HE2      PHE  12   3.626 -16.468  -0.026
  109    HE2  PHE  12           HE1      PHE  12   5.936 -13.119  -1.400
  110    HZ   PHE  12           HZ       PHE  12   5.671 -15.566  -1.098
  111    H    CYS  13           HN       CYS  13   4.304 -12.260   2.757
  112    HA   CYS  13           HA       CYS  13   4.932  -9.444   2.564
  113    HB2  CYS  13           HB2      CYS  13   4.544 -10.790   5.211
  114    HB3  CYS  13           HB1      CYS  13   5.789  -9.551   5.047
  115    H    VAL  14           HN       VAL  14   7.035  -9.147   2.109
  116    HA   VAL  14           HA       VAL  14   9.104 -10.910   3.029
  117    HB   VAL  14           HB       VAL  14   8.044 -12.291   1.231
  118   HG11  VAL  14          HG11      VAL  14   8.170 -11.600  -1.062
  119   HG12  VAL  14          HG12      VAL  14   9.153 -10.194  -0.648
  120   HG13  VAL  14          HG13      VAL  14   7.455 -10.252  -0.179
  121   HG21  VAL  14          HG21      VAL  14  10.829 -11.309   0.545
  122   HG22  VAL  14          HG22      VAL  14  10.149 -12.897   0.189
  123   HG23  VAL  14          HG23      VAL  14  10.475 -12.432   1.858
  124    H    CYS  15           HN       CYS  15  11.154 -10.048   2.690
  125    HA   CYS  15           HA       CYS  15  11.229  -7.452   1.270
  126    HB2  CYS  15           HB2      CYS  15  11.360  -7.605   3.925
  127    HB3  CYS  15           HB1      CYS  15  13.055  -7.941   3.574
  128    H    VAL  16           HN       VAL  16  13.175  -6.823   0.310
  129    HA   VAL  16           HA       VAL  16  14.711  -7.450  -1.349
  130    HB   VAL  16           HB       VAL  16  15.786  -6.642   0.861
  131   HG11  VAL  16          HG11      VAL  16  17.088  -9.339   0.934
  132   HG12  VAL  16          HG12      VAL  16  15.528  -9.145   1.731
  133   HG13  VAL  16          HG13      VAL  16  16.897  -8.149   2.219
  134   HG21  VAL  16          HG21      VAL  16  17.117  -8.054  -1.433
  135   HG22  VAL  16          HG22      VAL  16  18.107  -7.437  -0.112
  136   HG23  VAL  16          HG23      VAL  16  17.093  -6.333  -1.041
  Start of MODEL   12
    1    H1   ARG   1           HT1      ARG   1  24.778   4.215  -0.294
    2    H2   ARG   1           HT2      ARG   1  25.288   2.802  -1.087
    3    H3   ARG   1           HT3      ARG   1  24.409   2.696   0.363
    4    HA   ARG   1           HA       ARG   1  22.757   4.162  -1.193
    5    HB2  ARG   1           HB2      ARG   1  24.470   3.476  -3.045
    6    HB3  ARG   1           HB1      ARG   1  23.707   1.890  -2.930
    7    HG2  ARG   1           HG2      ARG   1  21.471   3.117  -3.204
    8    HG3  ARG   1           HG1      ARG   1  22.426   4.520  -3.686
    9    HD2  ARG   1           HD2      ARG   1  22.365   1.803  -5.022
   10    HD3  ARG   1           HD1      ARG   1  21.804   3.330  -5.692
   11    HE   ARG   1           HE       ARG   1  24.067   3.998  -5.990
   12   HH11  ARG   1          HH21      ARG   1  23.716   0.841  -4.596
   13   HH12  ARG   1          HH22      ARG   1  25.349   0.369  -4.929
   14   HH21  ARG   1          HH11      ARG   1  26.201   3.374  -6.427
   15   HH22  ARG   1          HH12      ARG   1  26.751   1.800  -5.963
   16    H    GLY   2           HN       GLY   2  21.933   1.476  -2.599
   17    HA2  GLY   2           HA2      GLY   2  20.449  -0.217  -2.119
   18    HA3  GLY   2           HA1      GLY   2  21.460  -0.509  -0.707
   19    H    GLY   3           HN       GLY   3  19.025  -1.104  -0.155
   20    HA2  GLY   3           HA2      GLY   3  18.198   0.630   1.895
   21    HA3  GLY   3           HA1      GLY   3  17.182   0.928   0.485
   22    H    ARG   4           HN       ARG   4  16.668  -0.338   3.190
   23    HA   ARG   4           HA       ARG   4  15.832  -3.039   2.365
   24    HB2  ARG   4           HB2      ARG   4  15.608  -1.850   5.131
   25    HB3  ARG   4           HB1      ARG   4  15.601  -3.550   4.671
   26    HG2  ARG   4           HG2      ARG   4  17.810  -3.449   5.258
   27    HG3  ARG   4           HG1      ARG   4  18.002  -2.795   3.633
   28    HD2  ARG   4           HD2      ARG   4  17.596  -0.491   4.672
   29    HD3  ARG   4           HD1      ARG   4  17.793  -1.272   6.237
   30    HE   ARG   4           HE       ARG   4  19.943  -1.692   4.301
   31   HH11  ARG   4          HH21      ARG   4  18.679   0.049   7.016
   32   HH12  ARG   4          HH22      ARG   4  20.229   0.614   7.548
   33   HH21  ARG   4          HH11      ARG   4  21.975  -0.953   4.996
   34   HH22  ARG   4          HH12      ARG   4  22.092   0.048   6.406
   35    H    LEU   5           HN       LEU   5  13.754  -3.591   2.091
   36    HA   LEU   5           HA       LEU   5  11.588  -2.008   3.173
   37    HB2  LEU   5           HB2      LEU   5  10.562  -1.595   0.932
   38    HB3  LEU   5           HB1      LEU   5  12.042  -0.681   1.206
   39    HG   LEU   5           HG       LEU   5  13.029  -3.010   0.103
   40   HD11  LEU   5          HD11      LEU   5  11.657  -3.652  -1.751
   41   HD12  LEU   5          HD12      LEU   5  10.538  -2.317  -1.469
   42   HD13  LEU   5          HD13      LEU   5  10.605  -3.667  -0.334
   43   HD21  LEU   5          HD21      LEU   5  12.143  -0.456  -1.277
   44   HD22  LEU   5          HD22      LEU   5  13.228  -1.646  -1.994
   45   HD23  LEU   5          HD23      LEU   5  13.719  -0.766  -0.546
   46    H    CYS   6           HN       CYS   6   9.825  -3.259   3.506
   47    HA   CYS   6           HA       CYS   6   9.867  -5.972   2.336
   48    HB2  CYS   6           HB2      CYS   6   8.528  -5.175   4.913
   49    HB3  CYS   6           HB1      CYS   6   8.862  -6.802   4.326
   50    H    TYR   7           HN       TYR   7   8.464  -6.099   0.718
   51    HA   TYR   7           HA       TYR   7   6.097  -4.471   0.569
   52    HB2  TYR   7           HB2      TYR   7   7.187  -6.749  -1.083
   53    HB3  TYR   7           HB1      TYR   7   5.603  -6.043  -1.402
   54    HD1  TYR   7           HD1      TYR   7   5.588  -3.369  -1.405
   55    HD2  TYR   7           HD2      TYR   7   9.012  -5.834  -2.201
   56    HE1  TYR   7           HE1      TYR   7   6.654  -1.493  -2.612
   57    HE2  TYR   7           HE2      TYR   7  10.079  -3.959  -3.412
   58    HH   TYR   7           HH       TYR   7   9.942  -1.802  -3.957
   59    H    CYS   8           HN       CYS   8   4.239  -4.886   1.606
   60    HA   CYS   8           HA       CYS   8   3.652  -7.685   2.370
   61    HB2  CYS   8           HB2      CYS   8   3.334  -5.104   3.815
   62    HB3  CYS   8           HB1      CYS   8   2.081  -6.320   4.055
   63    H    ARG   9           HN       ARG   9   2.376  -8.420   0.797
   64    HA   ARG   9           HA       ARG   9   0.007  -6.811   0.053
   65    HB2  ARG   9           HB2      ARG   9   1.728  -7.429  -1.740
   66    HB3  ARG   9           HB1      ARG   9   1.183  -9.093  -1.535
   67    HG2  ARG   9           HG2      ARG   9  -0.940  -8.650  -2.388
   68    HG3  ARG   9           HG1      ARG   9  -0.857  -6.933  -1.994
   69    HD2  ARG   9           HD2      ARG   9   0.967  -8.193  -4.042
   70    HD3  ARG   9           HD1      ARG   9  -0.620  -7.556  -4.470
   71    HE   ARG   9           HE       ARG   9   0.523  -5.482  -3.138
   72   HH11  ARG   9          HH21      ARG   9   1.555  -7.560  -5.707
   73   HH12  ARG   9          HH22      ARG   9   2.540  -6.355  -6.469
   74   HH21  ARG   9          HH11      ARG   9   1.815  -3.902  -4.128
   75   HH22  ARG   9          HH12      ARG   9   2.685  -4.284  -5.575
   76    H    ARG  10           HN       ARG  10  -1.905  -7.562   0.706
   77    HA   ARG  10           HA       ARG  10  -3.513  -8.945   1.584
   78    HB2  ARG  10           HB2      ARG  10  -1.927 -11.054   0.096
   79    HB3  ARG  10           HB1      ARG  10  -3.549 -11.272   0.746
   80    HG2  ARG  10           HG2      ARG  10  -2.892  -9.040  -1.180
   81    HG3  ARG  10           HG1      ARG  10  -3.368 -10.638  -1.743
   82    HD2  ARG  10           HD2      ARG  10  -5.535 -10.114  -1.411
   83    HD3  ARG  10           HD1      ARG  10  -5.216  -9.832   0.298
   84    HE   ARG  10           HE       ARG  10  -5.447  -7.588  -0.170
   85   HH11  ARG  10          HH21      ARG  10  -4.284  -9.274  -2.957
   86   HH12  ARG  10          HH22      ARG  10  -4.237  -7.862  -3.961
   87   HH21  ARG  10          HH11      ARG  10  -5.385  -5.734  -1.476
   88   HH22  ARG  10          HH12      ARG  10  -4.861  -5.857  -3.122
   89    H    ARG  11           HN       ARG  11  -2.029 -11.893   1.823
   90    HA   ARG  11           HA       ARG  11  -1.368 -11.435   4.670
   91    HB2  ARG  11           HB2      ARG  11  -2.507 -13.791   3.181
   92    HB3  ARG  11           HB1      ARG  11  -1.659 -14.031   4.706
   93    HG2  ARG  11           HG2      ARG  11  -3.904 -13.770   5.367
   94    HG3  ARG  11           HG1      ARG  11  -3.215 -12.170   5.634
   95    HD2  ARG  11           HD2      ARG  11  -4.057 -12.110   2.963
   96    HD3  ARG  11           HD1      ARG  11  -5.334 -12.989   3.797
   97    HE   ARG  11           HE       ARG  11  -4.484 -10.547   5.120
   98   HH11  ARG  11          HH21      ARG  11  -6.590 -12.061   2.828
   99   HH12  ARG  11          HH22      ARG  11  -7.799 -10.824   2.912
  100   HH21  ARG  11          HH11      ARG  11  -6.066  -8.919   5.236
  101   HH22  ARG  11          HH12      ARG  11  -7.503  -9.046   4.277
  102    H    PHE  12           HN       PHE  12   0.170 -11.532   1.864
  103    HA   PHE  12           HA       PHE  12   2.401 -13.220   2.827
  104    HB2  PHE  12           HB2      PHE  12   2.473 -12.262   0.033
  105    HB3  PHE  12           HB1      PHE  12   2.791 -13.870   0.682
  106    HD1  PHE  12           HD2      PHE  12   0.405 -14.680   2.030
  107    HD2  PHE  12           HD1      PHE  12   0.776 -12.365  -1.569
  108    HE1  PHE  12           HE2      PHE  12  -1.855 -15.416   1.322
  109    HE2  PHE  12           HE1      PHE  12  -1.482 -13.100  -2.274
  110    HZ   PHE  12           HZ       PHE  12  -2.799 -14.626  -0.830
  111    H    CYS  13           HN       CYS  13   4.462 -12.366   2.953
  112    HA   CYS  13           HA       CYS  13   4.836  -9.541   2.231
  113    HB2  CYS  13           HB2      CYS  13   5.260 -10.734   4.972
  114    HB3  CYS  13           HB1      CYS  13   6.010  -9.221   4.461
  115    H    VAL  14           HN       VAL  14   6.795  -9.082   1.437
  116    HA   VAL  14           HA       VAL  14   8.984 -11.035   1.786
  117    HB   VAL  14           HB       VAL  14   8.091  -9.819  -0.840
  118   HG11  VAL  14          HG11      VAL  14  10.493 -11.481  -0.053
  119   HG12  VAL  14          HG12      VAL  14  10.483  -9.906  -0.845
  120   HG13  VAL  14          HG13      VAL  14   9.941 -11.338  -1.723
  121   HG21  VAL  14          HG21      VAL  14   7.774 -12.225  -1.460
  122   HG22  VAL  14          HG22      VAL  14   6.695 -11.706  -0.167
  123   HG23  VAL  14          HG23      VAL  14   8.125 -12.667   0.211
  124    H    CYS  15           HN       CYS  15  11.063 -10.145   1.710
  125    HA   CYS  15           HA       CYS  15  11.245  -7.217   1.445
  126    HB2  CYS  15           HB2      CYS  15  11.063  -8.275   3.901
  127    HB3  CYS  15           HB1      CYS  15  12.797  -8.470   3.654
  128    H    VAL  16           HN       VAL  16  13.346  -6.399   1.028
  129    HA   VAL  16           HA       VAL  16  15.290  -6.412  -0.202
  130    HB   VAL  16           HB       VAL  16  15.990  -9.055   1.035
  131   HG11  VAL  16          HG11      VAL  16  17.517  -7.623  -0.469
  132   HG12  VAL  16          HG12      VAL  16  18.185  -8.139   1.078
  133   HG13  VAL  16          HG13      VAL  16  17.587  -6.492   0.882
  134   HG21  VAL  16          HG21      VAL  16  14.939  -7.997   2.896
  135   HG22  VAL  16          HG22      VAL  16  15.585  -6.417   2.458
  136   HG23  VAL  16          HG23      VAL  16  16.658  -7.667   3.088
  Start of MODEL   13
    1    H1   ARG   1           HT1      ARG   1  18.931  -6.240  11.667
    2    H2   ARG   1           HT2      ARG   1  17.667  -6.859  10.718
    3    H3   ARG   1           HT3      ARG   1  17.995  -5.193  10.717
    4    HA   ARG   1           HA       ARG   1  20.359  -6.461  10.020
    5    HB2  ARG   1           HB2      ARG   1  19.198  -7.397   7.770
    6    HB3  ARG   1           HB1      ARG   1  19.525  -8.423   9.163
    7    HG2  ARG   1           HG2      ARG   1  16.935  -6.913   9.103
    8    HG3  ARG   1           HG1      ARG   1  17.099  -8.329   8.068
    9    HD2  ARG   1           HD2      ARG   1  16.256  -8.541  10.595
   10    HD3  ARG   1           HD1      ARG   1  17.244  -9.791   9.845
   11    HE   ARG   1           HE       ARG   1  19.082  -8.095  10.934
   12   HH11  ARG   1          HH21      ARG   1  16.257  -9.726  12.094
   13   HH12  ARG   1          HH22      ARG   1  16.847  -9.884  13.714
   14   HH21  ARG   1          HH11      ARG   1  19.860  -8.299  13.058
   15   HH22  ARG   1          HH12      ARG   1  18.887  -9.077  14.260
   16    H    GLY   2           HN       GLY   2  17.508  -5.546   8.102
   17    HA2  GLY   2           HA2      GLY   2  18.158  -2.840   7.741
   18    HA3  GLY   2           HA1      GLY   2  18.892  -3.751   6.426
   19    H    GLY   3           HN       GLY   3  17.168  -2.035   5.525
   20    HA2  GLY   3           HA2      GLY   3  14.987  -3.656   4.517
   21    HA3  GLY   3           HA1      GLY   3  14.477  -2.294   5.511
   22    H    ARG   4           HN       ARG   4  14.810  -3.187   2.423
   23    HA   ARG   4           HA       ARG   4  15.407  -0.432   1.514
   24    HB2  ARG   4           HB2      ARG   4  16.337  -3.069   0.388
   25    HB3  ARG   4           HB1      ARG   4  16.239  -1.629  -0.622
   26    HG2  ARG   4           HG2      ARG   4  17.630  -1.416   2.027
   27    HG3  ARG   4           HG1      ARG   4  18.473  -2.212   0.696
   28    HD2  ARG   4           HD2      ARG   4  17.157   0.473   0.303
   29    HD3  ARG   4           HD1      ARG   4  18.776   0.354   0.983
   30    HE   ARG   4           HE       ARG   4  18.035  -0.092  -1.765
   31   HH11  ARG   4          HH21      ARG   4  20.237  -0.891   0.782
   32   HH12  ARG   4          HH22      ARG   4  21.534  -1.318  -0.285
   33   HH21  ARG   4          HH11      ARG   4  19.730  -0.652  -3.171
   34   HH22  ARG   4          HH12      ARG   4  21.246  -1.183  -2.524
   35    H    LEU   5           HN       LEU   5  13.921  -3.531   0.532
   36    HA   LEU   5           HA       LEU   5  11.605  -2.026  -0.485
   37    HB2  LEU   5           HB2      LEU   5  13.061  -2.444  -2.426
   38    HB3  LEU   5           HB1      LEU   5  13.096  -4.162  -2.035
   39    HG   LEU   5           HG       LEU   5  10.661  -4.301  -2.366
   40   HD11  LEU   5          HD11      LEU   5   9.738  -2.234  -1.809
   41   HD12  LEU   5          HD12      LEU   5   9.695  -2.153  -3.569
   42   HD13  LEU   5          HD13      LEU   5  10.976  -1.329  -2.681
   43   HD21  LEU   5          HD21      LEU   5  10.691  -3.567  -4.867
   44   HD22  LEU   5          HD22      LEU   5  11.844  -4.796  -4.347
   45   HD23  LEU   5          HD23      LEU   5  12.370  -3.127  -4.559
   46    H    CYS   6           HN       CYS   6  10.379  -2.770   1.251
   47    HA   CYS   6           HA       CYS   6   9.998  -5.695   1.411
   48    HB2  CYS   6           HB2      CYS   6   9.131  -3.842   3.589
   49    HB3  CYS   6           HB1      CYS   6   9.634  -5.528   3.690
   50    H    TYR   7           HN       TYR   7   8.276  -6.315   0.326
   51    HA   TYR   7           HA       TYR   7   5.952  -4.567   0.058
   52    HB2  TYR   7           HB2      TYR   7   6.653  -7.278  -1.078
   53    HB3  TYR   7           HB1      TYR   7   5.093  -6.494  -1.337
   54    HD1  TYR   7           HD2      TYR   7   5.190  -4.006  -2.148
   55    HD2  TYR   7           HD1      TYR   7   8.417  -6.808  -2.537
   56    HE1  TYR   7           HE2      TYR   7   6.176  -2.614  -3.939
   57    HE2  TYR   7           HE1      TYR   7   9.409  -5.420  -4.325
   58    HH   TYR   7           HH       TYR   7   9.018  -3.700  -5.754
   59    H    CYS   8           HN       CYS   8   3.878  -5.117   0.813
   60    HA   CYS   8           HA       CYS   8   3.581  -7.462   2.519
   61    HB2  CYS   8           HB2      CYS   8   4.428  -5.234   3.772
   62    HB3  CYS   8           HB1      CYS   8   2.689  -4.951   3.818
   63    H    ARG   9           HN       ARG   9   2.005  -8.259   1.252
   64    HA   ARG   9           HA       ARG   9  -0.433  -6.622   0.898
   65    HB2  ARG   9           HB2      ARG   9   0.733  -7.489  -1.175
   66    HB3  ARG   9           HB1      ARG   9   0.335  -9.117  -0.629
   67    HG2  ARG   9           HG2      ARG   9  -1.446  -8.562  -2.079
   68    HG3  ARG   9           HG1      ARG   9  -2.104  -8.270  -0.471
   69    HD2  ARG   9           HD2      ARG   9  -2.509  -6.446  -2.228
   70    HD3  ARG   9           HD1      ARG   9  -1.867  -5.918  -0.679
   71    HE   ARG   9           HE       ARG   9   0.230  -6.480  -2.545
   72   HH11  ARG   9          HH21      ARG   9  -2.205  -4.193  -1.642
   73   HH12  ARG   9          HH22      ARG   9  -1.360  -2.828  -2.291
   74   HH21  ARG   9          HH11      ARG   9   1.345  -4.694  -3.399
   75   HH22  ARG   9          HH12      ARG   9   0.650  -3.111  -3.286
   76    H    ARG  10           HN       ARG  10  -0.604  -7.337   3.289
   77    HA   ARG  10           HA       ARG  10  -1.661  -8.594   4.893
   78    HB2  ARG  10           HB2      ARG  10  -3.209  -9.492   2.452
   79    HB3  ARG  10           HB1      ARG  10  -3.682  -9.835   4.116
   80    HG2  ARG  10           HG2      ARG  10  -3.583  -7.320   4.526
   81    HG3  ARG  10           HG1      ARG  10  -3.455  -7.132   2.776
   82    HD2  ARG  10           HD2      ARG  10  -5.692  -8.631   4.165
   83    HD3  ARG  10           HD1      ARG  10  -5.806  -6.957   3.632
   84    HE   ARG  10           HE       ARG  10  -5.851  -7.699   1.395
   85   HH11  ARG  10          HH21      ARG  10  -5.352 -10.275   3.659
   86   HH12  ARG  10          HH22      ARG  10  -5.674 -11.528   2.509
   87   HH21  ARG  10          HH11      ARG  10  -6.272  -9.341  -0.110
   88   HH22  ARG  10          HH12      ARG  10  -6.195 -10.999   0.376
   89    H    ARG  11           HN       ARG  11  -2.485 -11.141   2.730
   90    HA   ARG  11           HA       ARG  11  -1.343 -13.175   4.236
   91    HB2  ARG  11           HB2      ARG  11  -2.118 -13.039   1.324
   92    HB3  ARG  11           HB1      ARG  11  -1.526 -14.522   2.073
   93    HG2  ARG  11           HG2      ARG  11  -3.348 -14.588   3.614
   94    HG3  ARG  11           HG1      ARG  11  -3.834 -12.938   3.220
   95    HD2  ARG  11           HD2      ARG  11  -5.104 -15.002   2.149
   96    HD3  ARG  11           HD1      ARG  11  -4.789 -13.552   1.198
   97    HE   ARG  11           HE       ARG  11  -2.587 -15.083   0.736
   98   HH11  ARG  11          HH21      ARG  11  -6.001 -15.631   0.605
   99   HH12  ARG  11          HH22      ARG  11  -5.903 -16.804  -0.665
  100   HH21  ARG  11          HH11      ARG  11  -2.450 -16.620  -0.931
  101   HH22  ARG  11          HH12      ARG  11  -3.893 -17.365  -1.535
  102    H    PHE  12           HN       PHE  12   0.060 -11.246   1.651
  103    HA   PHE  12           HA       PHE  12   2.554 -12.820   1.827
  104    HB2  PHE  12           HB2      PHE  12   1.193 -12.040  -0.388
  105    HB3  PHE  12           HB1      PHE  12   2.300 -10.680  -0.213
  106    HD1  PHE  12           HD2      PHE  12   4.786 -11.116  -0.077
  107    HD2  PHE  12           HD1      PHE  12   1.955 -14.172  -1.123
  108    HE1  PHE  12           HE2      PHE  12   6.619 -12.491  -1.022
  109    HE2  PHE  12           HE1      PHE  12   3.789 -15.548  -2.072
  110    HZ   PHE  12           HZ       PHE  12   6.122 -14.707  -2.020
  111    H    CYS  13           HN       CYS  13   4.533 -11.831   2.233
  112    HA   CYS  13           HA       CYS  13   4.922  -9.054   2.512
  113    HB2  CYS  13           HB2      CYS  13   3.402  -9.693   4.542
  114    HB3  CYS  13           HB1      CYS  13   4.890 -10.359   5.212
  115    H    VAL  14           HN       VAL  14   7.019  -8.743   2.184
  116    HA   VAL  14           HA       VAL  14   9.080 -10.094   3.588
  117    HB   VAL  14           HB       VAL  14   8.323 -11.969   2.099
  118   HG11  VAL  14          HG11      VAL  14   7.746 -10.425   0.176
  119   HG12  VAL  14          HG12      VAL  14   8.706 -11.835  -0.272
  120   HG13  VAL  14          HG13      VAL  14   9.477 -10.258  -0.116
  121   HG21  VAL  14          HG21      VAL  14  10.709 -11.611   2.965
  122   HG22  VAL  14          HG22      VAL  14  11.086 -10.982   1.360
  123   HG23  VAL  14          HG23      VAL  14  10.545 -12.649   1.549
  124    H    CYS  15           HN       CYS  15  11.209  -9.497   2.872
  125    HA   CYS  15           HA       CYS  15  11.237  -7.097   1.142
  126    HB2  CYS  15           HB2      CYS  15  11.534  -6.870   3.761
  127    HB3  CYS  15           HB1      CYS  15  13.187  -7.374   3.391
  128    H    VAL  16           HN       VAL  16  13.472  -6.553   0.359
  129    HA   VAL  16           HA       VAL  16  14.505  -8.257  -1.409
  130    HB   VAL  16           HB       VAL  16  15.357  -5.931  -0.845
  131   HG11  VAL  16          HG11      VAL  16  17.099  -5.678   0.756
  132   HG12  VAL  16          HG12      VAL  16  17.303  -7.421   0.922
  133   HG13  VAL  16          HG13      VAL  16  15.866  -6.638   1.575
  134   HG21  VAL  16          HG21      VAL  16  17.748  -6.560  -1.562
  135   HG22  VAL  16          HG22      VAL  16  16.441  -7.095  -2.619
  136   HG23  VAL  16          HG23      VAL  16  17.202  -8.236  -1.508
  Start of MODEL   14
    1    H1   ARG   1           HT1      ARG   1  22.950  -6.916   4.406
    2    H2   ARG   1           HT2      ARG   1  21.660  -6.161   5.214
    3    H3   ARG   1           HT3      ARG   1  23.119  -5.324   4.967
    4    HA   ARG   1           HA       ARG   1  21.642  -4.469   3.376
    5    HB2  ARG   1           HB2      ARG   1  22.598  -5.513   1.217
    6    HB3  ARG   1           HB1      ARG   1  23.753  -4.799   2.343
    7    HG2  ARG   1           HG2      ARG   1  23.070  -7.696   2.691
    8    HG3  ARG   1           HG1      ARG   1  24.116  -7.254   1.344
    9    HD2  ARG   1           HD2      ARG   1  24.755  -6.069   4.010
   10    HD3  ARG   1           HD1      ARG   1  25.101  -7.779   3.780
   11    HE   ARG   1           HE       ARG   1  26.108  -6.343   1.568
   12   HH11  ARG   1          HH21      ARG   1  26.600  -6.789   4.962
   13   HH12  ARG   1          HH22      ARG   1  28.299  -6.466   4.900
   14   HH21  ARG   1          HH11      ARG   1  28.338  -5.920   1.475
   15   HH22  ARG   1          HH12      ARG   1  29.284  -5.974   2.924
   16    H    GLY   2           HN       GLY   2  21.347  -7.864   3.965
   17    HA2  GLY   2           HA2      GLY   2  19.321  -8.353   1.965
   18    HA3  GLY   2           HA1      GLY   2  19.817  -9.455   3.246
   19    H    GLY   3           HN       GLY   3  18.457  -6.158   3.256
   20    HA2  GLY   3           HA2      GLY   3  15.868  -6.586   3.959
   21    HA3  GLY   3           HA1      GLY   3  16.730  -6.791   5.482
   22    H    ARG   4           HN       ARG   4  15.301  -4.573   3.397
   23    HA   ARG   4           HA       ARG   4  16.151  -2.347   5.073
   24    HB2  ARG   4           HB2      ARG   4  17.808  -2.576   3.130
   25    HB3  ARG   4           HB1      ARG   4  16.471  -2.102   2.082
   26    HG2  ARG   4           HG2      ARG   4  16.172  -0.088   3.655
   27    HG3  ARG   4           HG1      ARG   4  17.761  -0.506   4.299
   28    HD2  ARG   4           HD2      ARG   4  18.587  -0.474   1.879
   29    HD3  ARG   4           HD1      ARG   4  17.054   0.290   1.470
   30    HE   ARG   4           HE       ARG   4  18.095   1.776   3.562
   31   HH11  ARG   4          HH21      ARG   4  19.042   0.806   0.380
   32   HH12  ARG   4          HH22      ARG   4  19.987   2.226   0.078
   33   HH21  ARG   4          HH11      ARG   4  19.332   3.642   3.175
   34   HH22  ARG   4          HH12      ARG   4  20.151   3.831   1.662
   35    H    LEU   5           HN       LEU   5  14.034  -3.840   2.793
   36    HA   LEU   5           HA       LEU   5  11.843  -2.159   3.585
   37    HB2  LEU   5           HB2      LEU   5  12.650  -0.581   2.016
   38    HB3  LEU   5           HB1      LEU   5  13.087  -1.834   0.856
   39    HG   LEU   5           HG       LEU   5  10.744  -2.345   0.445
   40   HD11  LEU   5          HD11      LEU   5  10.319  -0.399   2.720
   41   HD12  LEU   5          HD12      LEU   5   9.691  -2.039   2.548
   42   HD13  LEU   5          HD13      LEU   5   9.037  -0.737   1.556
   43   HD21  LEU   5          HD21      LEU   5  11.549   0.563   0.334
   44   HD22  LEU   5          HD22      LEU   5   9.987   0.033  -0.285
   45   HD23  LEU   5          HD23      LEU   5  11.473  -0.610  -0.982
   46    H    CYS   6           HN       CYS   6  10.356  -3.714   3.872
   47    HA   CYS   6           HA       CYS   6  10.190  -5.875   1.867
   48    HB2  CYS   6           HB2      CYS   6   8.923  -6.033   4.581
   49    HB3  CYS   6           HB1      CYS   6   9.477  -7.338   3.534
   50    H    TYR   7           HN       TYR   7   8.445  -6.102   0.668
   51    HA   TYR   7           HA       TYR   7   6.198  -4.256   1.076
   52    HB2  TYR   7           HB2      TYR   7   7.009  -6.042  -1.223
   53    HB3  TYR   7           HB1      TYR   7   5.509  -5.111  -1.194
   54    HD1  TYR   7           HD1      TYR   7   5.570  -2.637  -1.057
   55    HD2  TYR   7           HD2      TYR   7   9.130  -4.979  -1.552
   56    HE1  TYR   7           HE1      TYR   7   6.804  -0.608  -1.742
   57    HE2  TYR   7           HE2      TYR   7  10.371  -2.956  -2.243
   58    HH   TYR   7           HH       TYR   7   9.483  -0.554  -3.383
   59    H    CYS   8           HN       CYS   8   4.097  -4.945   1.454
   60    HA   CYS   8           HA       CYS   8   3.700  -7.852   1.785
   61    HB2  CYS   8           HB2      CYS   8   3.991  -6.449   3.966
   62    HB3  CYS   8           HB1      CYS   8   2.347  -5.917   3.623
   63    H    ARG   9           HN       ARG   9   2.001  -8.674   0.849
   64    HA   ARG   9           HA       ARG   9  -0.248  -6.919   0.084
   65    HB2  ARG   9           HB2      ARG   9   0.957  -9.075  -1.665
   66    HB3  ARG   9           HB1      ARG   9  -0.382  -8.002  -2.080
   67    HG2  ARG   9           HG2      ARG   9   1.293  -6.077  -1.582
   68    HG3  ARG   9           HG1      ARG   9   2.536  -7.320  -1.728
   69    HD2  ARG   9           HD2      ARG   9   2.366  -6.479  -3.913
   70    HD3  ARG   9           HD1      ARG   9   1.361  -7.926  -3.960
   71    HE   ARG   9           HE       ARG   9  -0.379  -5.915  -3.279
   72   HH11  ARG   9          HH21      ARG   9   1.913  -6.479  -5.812
   73   HH12  ARG   9          HH22      ARG   9   1.034  -5.573  -6.997
   74   HH21  ARG   9          HH11      ARG   9  -1.535  -4.726  -4.831
   75   HH22  ARG   9          HH12      ARG   9  -0.919  -4.582  -6.444
   76    H    ARG  10           HN       ARG  10  -2.273  -8.085  -0.192
   77    HA   ARG  10           HA       ARG  10  -3.861  -9.480   0.745
   78    HB2  ARG  10           HB2      ARG  10  -1.776 -11.400  -0.304
   79    HB3  ARG  10           HB1      ARG  10  -3.341 -11.929   0.314
   80    HG2  ARG  10           HG2      ARG  10  -4.513 -10.625  -1.353
   81    HG3  ARG  10           HG1      ARG  10  -3.007  -9.881  -1.894
   82    HD2  ARG  10           HD2      ARG  10  -3.418 -12.871  -1.968
   83    HD3  ARG  10           HD1      ARG  10  -3.911 -11.835  -3.304
   84    HE   ARG  10           HE       ARG  10  -1.186 -12.500  -2.540
   85   HH11  ARG  10          HH21      ARG  10  -3.323 -10.361  -4.227
   86   HH12  ARG  10          HH22      ARG  10  -2.101  -9.767  -5.302
   87   HH21  ARG  10          HH11      ARG  10   0.418 -11.727  -3.951
   88   HH22  ARG  10          HH12      ARG  10   0.014 -10.542  -5.146
   89    H    ARG  11           HN       ARG  11  -1.897 -12.098   1.580
   90    HA   ARG  11           HA       ARG  11  -1.736 -11.219   4.404
   91    HB2  ARG  11           HB2      ARG  11  -2.594 -13.922   3.351
   92    HB3  ARG  11           HB1      ARG  11  -2.315 -13.546   5.048
   93    HG2  ARG  11           HG2      ARG  11  -4.326 -12.518   5.256
   94    HG3  ARG  11           HG1      ARG  11  -4.097 -11.602   3.769
   95    HD2  ARG  11           HD2      ARG  11  -4.801 -14.537   3.733
   96    HD3  ARG  11           HD1      ARG  11  -6.038 -13.284   3.806
   97    HE   ARG  11           HE       ARG  11  -4.090 -12.976   1.664
   98   HH11  ARG  11          HH21      ARG  11  -7.139 -14.237   2.716
   99   HH12  ARG  11          HH22      ARG  11  -7.807 -14.324   1.119
  100   HH21  ARG  11          HH11      ARG  11  -4.960 -13.089  -0.428
  101   HH22  ARG  11          HH12      ARG  11  -6.574 -13.676  -0.659
  102    H    PHE  12           HN       PHE  12   0.452 -10.877   2.839
  103    HA   PHE  12           HA       PHE  12   2.410 -12.481   4.138
  104    HB2  PHE  12           HB2      PHE  12   1.503 -14.076   2.370
  105    HB3  PHE  12           HB1      PHE  12   2.210 -12.994   1.170
  106    HD1  PHE  12           HD2      PHE  12   3.104 -14.819   4.321
  107    HD2  PHE  12           HD1      PHE  12   4.444 -13.290   0.536
  108    HE1  PHE  12           HE2      PHE  12   5.321 -15.872   4.680
  109    HE2  PHE  12           HE1      PHE  12   6.662 -14.342   0.897
  110    HZ   PHE  12           HZ       PHE  12   7.099 -15.632   2.969
  111    H    CYS  13           HN       CYS  13   4.613 -11.866   3.521
  112    HA   CYS  13           HA       CYS  13   4.830  -9.527   1.772
  113    HB2  CYS  13           HB2      CYS  13   6.304  -9.178   4.294
  114    HB3  CYS  13           HB1      CYS  13   5.363  -8.013   3.374
  115    H    VAL  14           HN       VAL  14   7.135  -8.843   1.503
  116    HA   VAL  14           HA       VAL  14   9.089 -10.994   1.916
  117    HB   VAL  14           HB       VAL  14   8.034 -11.428  -0.291
  118   HG11  VAL  14          HG11      VAL  14   8.182  -9.833  -2.069
  119   HG12  VAL  14          HG12      VAL  14   9.243  -8.784  -1.130
  120   HG13  VAL  14          HG13      VAL  14   7.546  -8.951  -0.681
  121   HG21  VAL  14          HG21      VAL  14  10.451 -11.928   0.175
  122   HG22  VAL  14          HG22      VAL  14  10.865 -10.359  -0.519
  123   HG23  VAL  14          HG23      VAL  14  10.122 -11.600  -1.528
  124    H    CYS  15           HN       CYS  15  11.133 -10.256   2.212
  125    HA   CYS  15           HA       CYS  15  11.500  -7.353   2.305
  126    HB2  CYS  15           HB2      CYS  15  13.063  -9.676   3.416
  127    HB3  CYS  15           HB1      CYS  15  13.669  -8.020   3.455
  128    H    VAL  16           HN       VAL  16  13.057  -6.235   1.166
  129    HA   VAL  16           HA       VAL  16  13.718  -7.052  -1.403
  130    HB   VAL  16           HB       VAL  16  13.856  -4.711  -0.505
  131   HG11  VAL  16          HG11      VAL  16  15.759  -4.008   0.748
  132   HG12  VAL  16          HG12      VAL  16  16.588  -5.544   0.489
  133   HG13  VAL  16          HG13      VAL  16  15.180  -5.471   1.548
  134   HG21  VAL  16          HG21      VAL  16  14.815  -5.230  -2.685
  135   HG22  VAL  16          HG22      VAL  16  16.285  -5.844  -1.930
  136   HG23  VAL  16          HG23      VAL  16  15.899  -4.127  -1.838
  Start of MODEL   15
    1    H1   ARG   1           HT1      ARG   1  20.915   5.133   2.237
    2    H2   ARG   1           HT2      ARG   1  19.531   4.954   1.269
    3    H3   ARG   1           HT3      ARG   1  21.018   5.375   0.562
    4    HA   ARG   1           HA       ARG   1  20.008   2.861   0.748
    5    HB2  ARG   1           HB2      ARG   1  21.889   3.945  -0.685
    6    HB3  ARG   1           HB1      ARG   1  22.965   3.436   0.613
    7    HG2  ARG   1           HG2      ARG   1  23.059   1.559  -0.752
    8    HG3  ARG   1           HG1      ARG   1  21.719   1.112   0.300
    9    HD2  ARG   1           HD2      ARG   1  20.872   0.688  -1.850
   10    HD3  ARG   1           HD1      ARG   1  20.222   2.281  -1.476
   11    HE   ARG   1           HE       ARG   1  22.757   2.426  -2.827
   12   HH11  ARG   1          HH21      ARG   1  19.348   1.958  -3.196
   13   HH12  ARG   1          HH22      ARG   1  19.304   2.540  -4.827
   14   HH21  ARG   1          HH11      ARG   1  22.707   3.191  -4.967
   15   HH22  ARG   1          HH12      ARG   1  21.205   3.238  -5.830
   16    H    GLY   2           HN       GLY   2  19.920   1.315   2.258
   17    HA2  GLY   2           HA2      GLY   2  21.700   0.273   3.935
   18    HA3  GLY   2           HA1      GLY   2  21.269   1.735   4.817
   19    H    GLY   3           HN       GLY   3  18.667   2.036   4.637
   20    HA2  GLY   3           HA2      GLY   3  17.591  -0.022   6.284
   21    HA3  GLY   3           HA1      GLY   3  16.697   1.337   5.608
   22    H    ARG   4           HN       ARG   4  16.209  -1.679   5.822
   23    HA   ARG   4           HA       ARG   4  16.016  -2.486   3.030
   24    HB2  ARG   4           HB2      ARG   4  14.761  -4.040   5.261
   25    HB3  ARG   4           HB1      ARG   4  15.589  -4.621   3.818
   26    HG2  ARG   4           HG2      ARG   4  17.718  -3.584   4.828
   27    HG3  ARG   4           HG1      ARG   4  16.806  -3.473   6.333
   28    HD2  ARG   4           HD2      ARG   4  17.817  -5.560   6.565
   29    HD3  ARG   4           HD1      ARG   4  16.264  -6.006   5.864
   30    HE   ARG   4           HE       ARG   4  17.797  -5.686   3.665
   31   HH11  ARG   4          HH21      ARG   4  18.283  -7.328   6.674
   32   HH12  ARG   4          HH22      ARG   4  19.307  -8.551   6.001
   33   HH21  ARG   4          HH11      ARG   4  19.144  -7.287   2.776
   34   HH22  ARG   4          HH12      ARG   4  19.795  -8.528   3.794
   35    H    LEU   5           HN       LEU   5  13.876  -3.443   2.295
   36    HA   LEU   5           HA       LEU   5  11.552  -1.979   3.369
   37    HB2  LEU   5           HB2      LEU   5  10.886  -1.631   0.890
   38    HB3  LEU   5           HB1      LEU   5  12.083  -0.543   1.590
   39    HG   LEU   5           HG       LEU   5  13.129  -3.044   0.342
   40   HD11  LEU   5          HD11      LEU   5  12.043  -0.711  -1.265
   41   HD12  LEU   5          HD12      LEU   5  11.454  -2.372  -1.309
   42   HD13  LEU   5          HD13      LEU   5  13.064  -1.993  -1.914
   43   HD21  LEU   5          HD21      LEU   5  14.040  -0.182  -0.010
   44   HD22  LEU   5          HD22      LEU   5  14.993  -1.657  -0.161
   45   HD23  LEU   5          HD23      LEU   5  14.458  -1.114   1.428
   46    H    CYS   6           HN       CYS   6  10.048  -3.459   3.831
   47    HA   CYS   6           HA       CYS   6  10.019  -5.959   2.281
   48    HB2  CYS   6           HB2      CYS   6   9.960  -5.511   5.023
   49    HB3  CYS   6           HB1      CYS   6   8.302  -5.940   4.627
   50    H    TYR   7           HN       TYR   7   8.632  -6.042   0.702
   51    HA   TYR   7           HA       TYR   7   6.289  -4.358   0.598
   52    HB2  TYR   7           HB2      TYR   7   7.416  -6.506  -1.199
   53    HB3  TYR   7           HB1      TYR   7   5.854  -5.748  -1.510
   54    HD1  TYR   7           HD1      TYR   7   5.845  -3.109  -1.358
   55    HD2  TYR   7           HD2      TYR   7   9.330  -5.506  -2.089
   56    HE1  TYR   7           HE1      TYR   7   6.981  -1.146  -2.344
   57    HE2  TYR   7           HE2      TYR   7  10.470  -3.546  -3.079
   58    HH   TYR   7           HH       TYR   7   9.145  -1.035  -4.239
   59    H    CYS   8           HN       CYS   8   4.501  -4.842   1.707
   60    HA   CYS   8           HA       CYS   8   3.863  -7.683   2.212
   61    HB2  CYS   8           HB2      CYS   8   2.932  -5.252   3.747
   62    HB3  CYS   8           HB1      CYS   8   2.625  -6.938   4.162
   63    H    ARG   9           HN       ARG   9   2.403  -8.434   0.865
   64    HA   ARG   9           HA       ARG   9   0.088  -6.721   0.166
   65    HB2  ARG   9           HB2      ARG   9   1.504  -8.798  -1.524
   66    HB3  ARG   9           HB1      ARG   9  -0.014  -8.021  -1.968
   67    HG2  ARG   9           HG2      ARG   9   2.223  -6.208  -1.189
   68    HG3  ARG   9           HG1      ARG   9   2.396  -7.052  -2.728
   69    HD2  ARG   9           HD2      ARG   9   1.157  -4.728  -2.639
   70    HD3  ARG   9           HD1      ARG   9   0.536  -6.019  -3.663
   71    HE   ARG   9           HE       ARG   9  -0.804  -6.457  -1.368
   72   HH11  ARG   9          HH21      ARG   9  -0.145  -3.595  -3.200
   73   HH12  ARG   9          HH22      ARG   9  -1.613  -2.796  -2.740
   74   HH21  ARG   9          HH11      ARG   9  -2.728  -5.415  -0.760
   75   HH22  ARG   9          HH12      ARG   9  -3.074  -3.825  -1.358
   76    H    ARG  10           HN       ARG  10  -1.930  -7.656   0.305
   77    HA   ARG  10           HA       ARG  10  -3.505  -9.052   1.252
   78    HB2  ARG  10           HB2      ARG  10  -1.876 -11.290   0.054
   79    HB3  ARG  10           HB1      ARG  10  -3.627 -11.181   0.231
   80    HG2  ARG  10           HG2      ARG  10  -3.474  -9.122  -1.316
   81    HG3  ARG  10           HG1      ARG  10  -1.848  -9.689  -1.697
   82    HD2  ARG  10           HD2      ARG  10  -3.108 -10.741  -3.353
   83    HD3  ARG  10           HD1      ARG  10  -3.046 -11.990  -2.114
   84    HE   ARG  10           HE       ARG  10  -5.332 -11.702  -1.784
   85   HH11  ARG  10          HH21      ARG  10  -3.977  -9.086  -3.601
   86   HH12  ARG  10          HH22      ARG  10  -5.509  -8.379  -3.987
   87   HH21  ARG  10          HH11      ARG  10  -7.346 -10.778  -2.284
   88   HH22  ARG  10          HH12      ARG  10  -7.419  -9.335  -3.240
   89    H    ARG  11           HN       ARG  11  -2.233 -11.990   1.632
   90    HA   ARG  11           HA       ARG  11  -1.521 -11.489   4.454
   91    HB2  ARG  11           HB2      ARG  11  -2.063 -13.909   4.763
   92    HB3  ARG  11           HB1      ARG  11  -3.434 -12.936   4.232
   93    HG2  ARG  11           HG2      ARG  11  -2.834 -13.620   1.849
   94    HG3  ARG  11           HG1      ARG  11  -1.729 -14.797   2.564
   95    HD2  ARG  11           HD2      ARG  11  -3.984 -15.754   2.045
   96    HD3  ARG  11           HD1      ARG  11  -3.548 -15.871   3.747
   97    HE   ARG  11           HE       ARG  11  -5.151 -14.202   4.246
   98   HH11  ARG  11          HH21      ARG  11  -4.894 -14.882   0.857
   99   HH12  ARG  11          HH22      ARG  11  -6.388 -14.109   0.451
  100   HH21  ARG  11          HH11      ARG  11  -7.110 -13.189   3.714
  101   HH22  ARG  11          HH12      ARG  11  -7.641 -13.151   2.066
  102    H    PHE  12           HN       PHE  12   0.479 -10.971   2.632
  103    HA   PHE  12           HA       PHE  12   2.505 -12.840   3.485
  104    HB2  PHE  12           HB2      PHE  12   1.499 -13.974   1.481
  105    HB3  PHE  12           HB1      PHE  12   1.993 -12.584   0.514
  106    HD1  PHE  12           HD2      PHE  12   3.426 -14.970   3.037
  107    HD2  PHE  12           HD1      PHE  12   4.084 -12.662  -0.527
  108    HE1  PHE  12           HE2      PHE  12   5.704 -15.928   2.835
  109    HE2  PHE  12           HE1      PHE  12   6.359 -13.622  -0.729
  110    HZ   PHE  12           HZ       PHE  12   7.171 -15.256   0.953
  111    H    CYS  13           HN       CYS  13   4.626 -12.040   3.153
  112    HA   CYS  13           HA       CYS  13   4.911  -9.447   1.832
  113    HB2  CYS  13           HB2      CYS  13   4.296  -9.112   4.303
  114    HB3  CYS  13           HB1      CYS  13   5.889  -9.777   4.667
  115    H    VAL  14           HN       VAL  14   7.156  -8.805   1.532
  116    HA   VAL  14           HA       VAL  14   9.152 -10.921   1.968
  117    HB   VAL  14           HB       VAL  14   8.205 -11.470  -0.212
  118   HG11  VAL  14          HG11      VAL  14   8.174  -9.878  -2.028
  119   HG12  VAL  14          HG12      VAL  14   9.022  -8.676  -1.058
  120   HG13  VAL  14          HG13      VAL  14   7.366  -9.128  -0.652
  121   HG21  VAL  14          HG21      VAL  14  10.719 -11.561   0.247
  122   HG22  VAL  14          HG22      VAL  14  10.843 -10.049  -0.655
  123   HG23  VAL  14          HG23      VAL  14  10.251 -11.507  -1.453
  124    H    CYS  15           HN       CYS  15  11.175 -10.158   2.277
  125    HA   CYS  15           HA       CYS  15  11.527  -7.241   2.252
  126    HB2  CYS  15           HB2      CYS  15  12.860  -9.504   3.697
  127    HB3  CYS  15           HB1      CYS  15  13.669  -7.943   3.548
  128    H    VAL  16           HN       VAL  16  13.207  -6.215   1.215
  129    HA   VAL  16           HA       VAL  16  14.677  -5.839  -0.507
  130    HB   VAL  16           HB       VAL  16  15.645  -8.646   0.064
  131   HG11  VAL  16          HG11      VAL  16  17.842  -7.536  -0.574
  132   HG12  VAL  16          HG12      VAL  16  16.895  -6.148  -1.108
  133   HG13  VAL  16          HG13      VAL  16  16.685  -7.713  -1.891
  134   HG21  VAL  16          HG21      VAL  16  17.169  -7.535   1.701
  135   HG22  VAL  16          HG22      VAL  16  15.473  -7.411   2.173
  136   HG23  VAL  16          HG23      VAL  16  16.294  -6.026   1.454
  Start of MODEL   16
    1    H1   ARG   1           HT1      ARG   1  11.837   5.791   4.544
    2    H2   ARG   1           HT2      ARG   1  13.527   5.958   4.523
    3    H3   ARG   1           HT3      ARG   1  12.791   4.913   5.639
    4    HA   ARG   1           HA       ARG   1  12.730   3.237   4.213
    5    HB2  ARG   1           HB2      ARG   1  11.450   5.364   2.559
    6    HB3  ARG   1           HB1      ARG   1  12.082   3.973   1.686
    7    HG2  ARG   1           HG2      ARG   1   9.875   3.329   2.184
    8    HG3  ARG   1           HG1      ARG   1  10.806   2.553   3.461
    9    HD2  ARG   1           HD2      ARG   1   9.374   5.215   3.695
   10    HD3  ARG   1           HD1      ARG   1   8.818   3.689   4.377
   11    HE   ARG   1           HE       ARG   1  11.408   4.134   5.338
   12   HH11  ARG   1          HH21      ARG   1   8.258   5.563   5.457
   13   HH12  ARG   1          HH22      ARG   1   8.480   6.255   7.032
   14   HH21  ARG   1          HH11      ARG   1  11.707   5.038   7.400
   15   HH22  ARG   1          HH12      ARG   1  10.434   5.956   8.129
   16    H    GLY   2           HN       GLY   2  13.599   2.933   1.615
   17    HA2  GLY   2           HA2      GLY   2  15.414   3.338   0.144
   18    HA3  GLY   2           HA1      GLY   2  16.168   4.336   1.384
   19    H    GLY   3           HN       GLY   3  16.967   1.839  -0.247
   20    HA2  GLY   3           HA2      GLY   3  18.564   0.204   0.154
   21    HA3  GLY   3           HA1      GLY   3  18.508   0.619   1.865
   22    H    ARG   4           HN       ARG   4  16.652  -0.177   3.116
   23    HA   ARG   4           HA       ARG   4  16.010  -2.917   2.346
   24    HB2  ARG   4           HB2      ARG   4  15.232  -3.173   4.619
   25    HB3  ARG   4           HB1      ARG   4  16.780  -2.327   4.655
   26    HG2  ARG   4           HG2      ARG   4  15.468  -0.153   4.700
   27    HG3  ARG   4           HG1      ARG   4  14.018  -1.120   4.951
   28    HD2  ARG   4           HD2      ARG   4  14.473  -1.250   7.155
   29    HD3  ARG   4           HD1      ARG   4  16.017  -2.020   6.802
   30    HE   ARG   4           HE       ARG   4  15.579   0.780   7.437
   31   HH11  ARG   4          HH21      ARG   4  17.642  -1.627   6.054
   32   HH12  ARG   4          HH22      ARG   4  19.087  -0.689   6.235
   33   HH21  ARG   4          HH11      ARG   4  17.469   2.015   7.679
   34   HH22  ARG   4          HH12      ARG   4  18.990   1.371   7.155
   35    H    LEU   5           HN       LEU   5  13.947  -3.720   2.030
   36    HA   LEU   5           HA       LEU   5  11.611  -2.056   2.340
   37    HB2  LEU   5           HB2      LEU   5  11.001  -2.244  -0.117
   38    HB3  LEU   5           HB1      LEU   5  12.281  -1.092   0.263
   39    HG   LEU   5           HG       LEU   5  13.319  -3.797  -0.225
   40   HD11  LEU   5          HD11      LEU   5  11.499  -3.998  -1.799
   41   HD12  LEU   5          HD12      LEU   5  12.962  -3.641  -2.716
   42   HD13  LEU   5          HD13      LEU   5  11.781  -2.367  -2.410
   43   HD21  LEU   5          HD21      LEU   5  14.552  -1.547  -0.123
   44   HD22  LEU   5          HD22      LEU   5  13.879  -1.227  -1.722
   45   HD23  LEU   5          HD23      LEU   5  14.960  -2.600  -1.479
   46    H    CYS   6           HN       CYS   6   9.831  -3.311   2.600
   47    HA   CYS   6           HA       CYS   6  10.042  -6.143   1.792
   48    HB2  CYS   6           HB2      CYS   6  10.323  -5.551   4.327
   49    HB3  CYS   6           HB1      CYS   6   8.573  -5.363   4.283
   50    H    TYR   7           HN       TYR   7   8.602  -6.533   0.291
   51    HA   TYR   7           HA       TYR   7   6.241  -4.936  -0.057
   52    HB2  TYR   7           HB2      TYR   7   7.287  -7.445  -1.368
   53    HB3  TYR   7           HB1      TYR   7   5.712  -6.761  -1.775
   54    HD1  TYR   7           HD2      TYR   7   5.604  -4.310  -2.485
   55    HD2  TYR   7           HD1      TYR   7   9.268  -6.539  -2.281
   56    HE1  TYR   7           HE2      TYR   7   6.698  -2.638  -3.946
   57    HE2  TYR   7           HE1      TYR   7  10.364  -4.866  -3.739
   58    HH   TYR   7           HH       TYR   7   8.646  -1.941  -4.804
   59    H    CYS   8           HN       CYS   8   4.475  -5.142   1.159
   60    HA   CYS   8           HA       CYS   8   3.685  -7.839   2.072
   61    HB2  CYS   8           HB2      CYS   8   4.625  -5.853   3.749
   62    HB3  CYS   8           HB1      CYS   8   2.876  -5.660   3.860
   63    H    ARG   9           HN       ARG   9   1.838  -8.369   1.160
   64    HA   ARG   9           HA       ARG   9  -0.330  -6.389   1.039
   65    HB2  ARG   9           HB2      ARG   9   1.087  -6.771  -1.199
   66    HB3  ARG   9           HB1      ARG   9   0.026  -8.168  -1.333
   67    HG2  ARG   9           HG2      ARG   9  -1.065  -6.352  -2.473
   68    HG3  ARG   9           HG1      ARG   9  -1.935  -6.616  -0.964
   69    HD2  ARG   9           HD2      ARG   9  -1.143  -4.168  -1.749
   70    HD3  ARG   9           HD1      ARG   9  -1.238  -4.621  -0.051
   71    HE   ARG   9           HE       ARG   9   1.097  -4.609   0.040
   72   HH11  ARG   9          HH21      ARG   9  -0.069  -4.415  -3.212
   73   HH12  ARG   9          HH22      ARG   9   1.480  -4.043  -3.892
   74   HH21  ARG   9          HH11      ARG   9   3.132  -4.115  -0.845
   75   HH22  ARG   9          HH12      ARG   9   3.292  -3.871  -2.553
   76    H    ARG  10           HN       ARG  10  -2.367  -7.260   1.271
   77    HA   ARG  10           HA       ARG  10  -3.926  -8.778   2.011
   78    HB2  ARG  10           HB2      ARG  10  -2.289 -10.444   0.099
   79    HB3  ARG  10           HB1      ARG  10  -3.706 -11.092   0.928
   80    HG2  ARG  10           HG2      ARG  10  -5.135  -9.408  -0.048
   81    HG3  ARG  10           HG1      ARG  10  -3.749  -8.550  -0.722
   82    HD2  ARG  10           HD2      ARG  10  -3.531 -10.011  -2.469
   83    HD3  ARG  10           HD1      ARG  10  -3.964 -11.407  -1.488
   84    HE   ARG  10           HE       ARG  10  -6.323 -10.091  -1.704
   85   HH11  ARG  10          HH21      ARG  10  -3.883 -11.034  -3.970
   86   HH12  ARG  10          HH22      ARG  10  -4.992 -11.249  -5.285
   87   HH21  ARG  10          HH11      ARG  10  -7.782 -10.373  -3.422
   88   HH22  ARG  10          HH12      ARG  10  -7.199 -10.875  -4.974
   89    H    ARG  11           HN       ARG  11  -1.863 -11.507   1.722
   90    HA   ARG  11           HA       ARG  11  -1.329 -11.485   4.636
   91    HB2  ARG  11           HB2      ARG  11  -2.197 -13.843   2.946
   92    HB3  ARG  11           HB1      ARG  11  -1.764 -13.913   4.653
   93    HG2  ARG  11           HG2      ARG  11  -3.795 -13.139   5.303
   94    HG3  ARG  11           HG1      ARG  11  -3.769 -11.843   4.112
   95    HD2  ARG  11           HD2      ARG  11  -4.520 -14.731   3.589
   96    HD3  ARG  11           HD1      ARG  11  -5.626 -13.362   3.641
   97    HE   ARG  11           HE       ARG  11  -3.685 -12.761   1.729
   98   HH11  ARG  11          HH21      ARG  11  -6.142 -15.125   2.322
   99   HH12  ARG  11          HH22      ARG  11  -6.462 -15.418   0.645
  100   HH21  ARG  11          HH11      ARG  11  -4.099 -13.140  -0.473
  101   HH22  ARG  11          HH12      ARG  11  -5.305 -14.292  -0.937
  102    H    PHE  12           HN       PHE  12   0.026 -11.458   1.632
  103    HA   PHE  12           HA       PHE  12   2.266 -13.240   2.299
  104    HB2  PHE  12           HB2      PHE  12   1.944 -11.671  -0.253
  105    HB3  PHE  12           HB1      PHE  12   2.862 -13.152   0.018
  106    HD1  PHE  12           HD2      PHE  12   1.246 -15.058   1.224
  107    HD2  PHE  12           HD1      PHE  12   0.004 -11.984  -1.507
  108    HE1  PHE  12           HE2      PHE  12  -0.741 -16.408   0.607
  109    HE2  PHE  12           HE1      PHE  12  -1.981 -13.334  -2.125
  110    HZ   PHE  12           HZ       PHE  12  -2.353 -15.547  -1.068
  111    H    CYS  13           HN       CYS  13   4.389 -12.526   2.459
  112    HA   CYS  13           HA       CYS  13   4.931  -9.657   2.278
  113    HB2  CYS  13           HB2      CYS  13   4.249 -10.647   4.716
  114    HB3  CYS  13           HB1      CYS  13   5.992 -10.909   4.742
  115    H    VAL  14           HN       VAL  14   7.037  -9.178   1.745
  116    HA   VAL  14           HA       VAL  14   9.049 -11.312   1.839
  117    HB   VAL  14           HB       VAL  14   8.260  -9.925  -0.733
  118   HG11  VAL  14          HG11      VAL  14  10.620 -10.257  -0.771
  119   HG12  VAL  14          HG12      VAL  14   9.944 -11.625  -1.653
  120   HG13  VAL  14          HG13      VAL  14  10.486 -11.831   0.012
  121   HG21  VAL  14          HG21      VAL  14   6.658 -11.647  -0.242
  122   HG22  VAL  14          HG22      VAL  14   7.919 -12.755   0.295
  123   HG23  VAL  14          HG23      VAL  14   7.783 -12.334  -1.412
  124    H    CYS  15           HN       CYS  15  10.811 -10.438   2.690
  125    HA   CYS  15           HA       CYS  15  11.300  -7.547   2.399
  126    HB2  CYS  15           HB2      CYS  15  12.497  -9.587   4.280
  127    HB3  CYS  15           HB1      CYS  15  12.906  -7.874   4.254
  128    H    VAL  16           HN       VAL  16  13.397  -6.749   1.869
  129    HA   VAL  16           HA       VAL  16  14.575  -7.627  -0.399
  130    HB   VAL  16           HB       VAL  16  15.201  -5.539   0.775
  131   HG11  VAL  16          HG11      VAL  16  16.683  -5.565   2.657
  132   HG12  VAL  16          HG12      VAL  16  16.976  -7.296   2.486
  133   HG13  VAL  16          HG13      VAL  16  15.401  -6.717   3.029
  134   HG21  VAL  16          HG21      VAL  16  17.623  -7.292   0.271
  135   HG22  VAL  16          HG22      VAL  16  17.515  -5.541   0.083
  136   HG23  VAL  16          HG23      VAL  16  16.640  -6.602  -1.022
  Start of MODEL   17
    1    H1   ARG   1           HT1      ARG   1  17.453 -11.410   8.296
    2    H2   ARG   1           HT2      ARG   1  17.437  -9.782   8.780
    3    H3   ARG   1           HT3      ARG   1  18.620 -10.840   9.387
    4    HA   ARG   1           HA       ARG   1  19.852  -9.813   7.800
    5    HB2  ARG   1           HB2      ARG   1  19.431 -12.334   7.313
    6    HB3  ARG   1           HB1      ARG   1  18.452 -11.755   5.966
    7    HG2  ARG   1           HG2      ARG   1  20.474 -10.332   5.299
    8    HG3  ARG   1           HG1      ARG   1  21.401 -11.294   6.452
    9    HD2  ARG   1           HD2      ARG   1  19.986 -12.225   3.957
   10    HD3  ARG   1           HD1      ARG   1  21.687 -12.400   4.374
   11    HE   ARG   1           HE       ARG   1  20.233 -13.750   6.335
   12   HH11  ARG   1          HH21      ARG   1  20.756 -13.865   2.916
   13   HH12  ARG   1          HH22      ARG   1  20.518 -15.577   2.799
   14   HH21  ARG   1          HH11      ARG   1  19.923 -15.995   6.187
   15   HH22  ARG   1          HH12      ARG   1  20.048 -16.782   4.649
   16    H    GLY   2           HN       GLY   2  19.764  -7.955   6.710
   17    HA2  GLY   2           HA2      GLY   2  19.113  -6.427   5.072
   18    HA3  GLY   2           HA1      GLY   2  17.804  -7.513   4.616
   19    H    GLY   3           HN       GLY   3  15.873  -6.619   4.920
   20    HA2  GLY   3           HA2      GLY   3  14.093  -5.771   6.188
   21    HA3  GLY   3           HA1      GLY   3  15.231  -5.344   7.464
   22    H    ARG   4           HN       ARG   4  15.698  -4.483   4.095
   23    HA   ARG   4           HA       ARG   4  15.846  -1.673   4.810
   24    HB2  ARG   4           HB2      ARG   4  16.015  -2.724   1.997
   25    HB3  ARG   4           HB1      ARG   4  16.844  -1.346   2.722
   26    HG2  ARG   4           HG2      ARG   4  17.952  -3.142   4.270
   27    HG3  ARG   4           HG1      ARG   4  17.446  -4.282   3.022
   28    HD2  ARG   4           HD2      ARG   4  19.552  -3.703   2.235
   29    HD3  ARG   4           HD1      ARG   4  18.563  -2.510   1.400
   30    HE   ARG   4           HE       ARG   4  19.511  -0.853   2.739
   31   HH11  ARG   4          HH21      ARG   4  20.213  -4.021   3.937
   32   HH12  ARG   4          HH22      ARG   4  21.354  -3.472   5.119
   33   HH21  ARG   4          HH11      ARG   4  21.004  -0.123   4.287
   34   HH22  ARG   4          HH12      ARG   4  21.803  -1.263   5.317
   35    H    LEU   5           HN       LEU   5  13.920  -3.658   2.548
   36    HA   LEU   5           HA       LEU   5  11.642  -1.865   2.939
   37    HB2  LEU   5           HB2      LEU   5  12.632  -0.765   1.077
   38    HB3  LEU   5           HB1      LEU   5  13.029  -2.291   0.290
   39    HG   LEU   5           HG       LEU   5  10.699  -2.757  -0.139
   40   HD11  LEU   5          HD11      LEU   5  10.269  -0.410   1.708
   41   HD12  LEU   5          HD12      LEU   5   9.541  -2.016   1.774
   42   HD13  LEU   5          HD13      LEU   5   9.030  -0.869   0.537
   43   HD21  LEU   5          HD21      LEU   5  11.424   0.124  -0.746
   44   HD22  LEU   5          HD22      LEU   5  10.082  -0.736  -1.496
   45   HD23  LEU   5          HD23      LEU   5  11.737  -1.280  -1.767
   46    H    CYS   6           HN       CYS   6  10.161  -3.313   3.579
   47    HA   CYS   6           HA       CYS   6  10.041  -5.906   2.183
   48    HB2  CYS   6           HB2      CYS   6   8.649  -5.369   4.779
   49    HB3  CYS   6           HB1      CYS   6   9.255  -6.894   4.133
   50    H    TYR   7           HN       TYR   7   8.482  -6.228   0.796
   51    HA   TYR   7           HA       TYR   7   6.194  -4.433   0.666
   52    HB2  TYR   7           HB2      TYR   7   7.157  -6.724  -1.055
   53    HB3  TYR   7           HB1      TYR   7   5.632  -5.885  -1.346
   54    HD1  TYR   7           HD1      TYR   7   9.306  -5.476  -1.148
   55    HD2  TYR   7           HD2      TYR   7   5.571  -3.671  -2.254
   56    HE1  TYR   7           HE1      TYR   7  10.528  -3.647  -2.284
   57    HE2  TYR   7           HE2      TYR   7   6.786  -1.844  -3.389
   58    HH   TYR   7           HH       TYR   7  10.053  -2.003  -4.150
   59    H    CYS   8           HN       CYS   8   4.089  -4.992   1.159
   60    HA   CYS   8           HA       CYS   8   3.642  -7.731   2.178
   61    HB2  CYS   8           HB2      CYS   8   3.221  -5.133   3.511
   62    HB3  CYS   8           HB1      CYS   8   1.879  -6.267   3.648
   63    H    ARG   9           HN       ARG   9   2.478  -8.633   0.624
   64    HA   ARG   9           HA       ARG   9   0.233  -7.146  -0.566
   65    HB2  ARG   9           HB2      ARG   9   1.557  -9.751  -1.355
   66    HB3  ARG   9           HB1      ARG   9   0.188  -9.026  -2.198
   67    HG2  ARG   9           HG2      ARG   9   1.716  -6.904  -2.326
   68    HG3  ARG   9           HG1      ARG   9   3.028  -8.042  -2.010
   69    HD2  ARG   9           HD2      ARG   9   2.745  -7.794  -4.419
   70    HD3  ARG   9           HD1      ARG   9   2.257  -9.418  -3.937
   71    HE   ARG   9           HE       ARG   9   0.072  -7.526  -3.998
   72   HH11  ARG   9          HH21      ARG   9   2.044  -9.727  -5.797
   73   HH12  ARG   9          HH22      ARG   9   0.850 -10.012  -7.019
   74   HH21  ARG   9          HH11      ARG   9  -1.499  -7.897  -5.597
   75   HH22  ARG   9          HH12      ARG   9  -1.154  -8.975  -6.907
   76    H    ARG  10           HN       ARG  10  -1.151  -7.296   1.271
   77    HA   ARG  10           HA       ARG  10  -2.889  -8.220   2.449
   78    HB2  ARG  10           HB2      ARG  10  -3.439  -9.119   0.139
   79    HB3  ARG  10           HB1      ARG  10  -2.649 -10.615   0.627
   80    HG2  ARG  10           HG2      ARG  10  -4.654 -11.233   1.489
   81    HG3  ARG  10           HG1      ARG  10  -4.336 -10.069   2.773
   82    HD2  ARG  10           HD2      ARG  10  -5.824  -9.532   0.189
   83    HD3  ARG  10           HD1      ARG  10  -6.525  -9.614   1.801
   84    HE   ARG  10           HE       ARG  10  -4.483  -7.656   1.773
   85   HH11  ARG  10          HH21      ARG  10  -7.648  -8.312   0.533
   86   HH12  ARG  10          HH22      ARG  10  -8.117  -6.647   0.465
   87   HH21  ARG  10          HH11      ARG  10  -5.090  -5.471   1.679
   88   HH22  ARG  10          HH12      ARG  10  -6.667  -5.038   1.113
   89    H    ARG  11           HN       ARG  11  -2.442 -11.495   2.045
   90    HA   ARG  11           HA       ARG  11  -1.429 -11.780   4.749
   91    HB2  ARG  11           HB2      ARG  11  -2.472 -13.706   2.676
   92    HB3  ARG  11           HB1      ARG  11  -1.765 -14.260   4.195
   93    HG2  ARG  11           HG2      ARG  11  -3.478 -13.353   5.486
   94    HG3  ARG  11           HG1      ARG  11  -3.882 -12.134   4.278
   95    HD2  ARG  11           HD2      ARG  11  -4.325 -15.088   3.814
   96    HD3  ARG  11           HD1      ARG  11  -5.552 -14.048   4.529
   97    HE   ARG  11           HE       ARG  11  -4.457 -13.117   1.996
   98   HH11  ARG  11          HH21      ARG  11  -6.897 -14.902   3.680
   99   HH12  ARG  11          HH22      ARG  11  -8.051 -14.811   2.389
  100   HH21  ARG  11          HH11      ARG  11  -5.962 -12.991   0.301
  101   HH22  ARG  11          HH12      ARG  11  -7.519 -13.729   0.477
  102    H    PHE  12           HN       PHE  12  -0.061 -11.567   1.680
  103    HA   PHE  12           HA       PHE  12   2.257 -13.247   2.388
  104    HB2  PHE  12           HB2      PHE  12   0.885 -12.688  -0.055
  105    HB3  PHE  12           HB1      PHE  12   2.518 -12.042  -0.203
  106    HD1  PHE  12           HD2      PHE  12   0.880 -15.081   1.297
  107    HD2  PHE  12           HD1      PHE  12   4.085 -13.515  -1.099
  108    HE1  PHE  12           HE2      PHE  12   1.748 -17.379   0.954
  109    HE2  PHE  12           HE1      PHE  12   4.952 -15.811  -1.440
  110    HZ   PHE  12           HZ       PHE  12   3.784 -17.743  -0.415
  111    H    CYS  13           HN       CYS  13   4.313 -12.405   2.595
  112    HA   CYS  13           HA       CYS  13   4.784  -9.569   2.122
  113    HB2  CYS  13           HB2      CYS  13   4.837 -10.799   4.880
  114    HB3  CYS  13           HB1      CYS  13   5.669  -9.295   4.487
  115    H    VAL  14           HN       VAL  14   6.864  -9.131   1.637
  116    HA   VAL  14           HA       VAL  14   8.990 -11.023   2.348
  117    HB   VAL  14           HB       VAL  14   8.574 -10.215  -0.535
  118   HG11  VAL  14          HG11      VAL  14  10.244 -12.398   0.750
  119   HG12  VAL  14          HG12      VAL  14  10.873 -10.832   0.237
  120   HG13  VAL  14          HG13      VAL  14  10.226 -11.955  -0.956
  121   HG21  VAL  14          HG21      VAL  14   6.688 -11.620   0.069
  122   HG22  VAL  14          HG22      VAL  14   7.748 -12.752   0.908
  123   HG23  VAL  14          HG23      VAL  14   7.833 -12.600  -0.846
  124    H    CYS  15           HN       CYS  15  11.092 -10.133   2.160
  125    HA   CYS  15           HA       CYS  15  11.150  -7.209   1.733
  126    HB2  CYS  15           HB2      CYS  15  11.360  -8.240   4.172
  127    HB3  CYS  15           HB1      CYS  15  13.037  -8.456   3.673
  128    H    VAL  16           HN       VAL  16  13.204  -6.300   1.124
  129    HA   VAL  16           HA       VAL  16  14.974  -6.203  -0.335
  130    HB   VAL  16           HB       VAL  16  15.696  -8.968   0.630
  131   HG11  VAL  16          HG11      VAL  16  17.058  -7.796  -1.143
  132   HG12  VAL  16          HG12      VAL  16  17.960  -8.167   0.328
  133   HG13  VAL  16          HG13      VAL  16  17.389  -6.525   0.033
  134   HG21  VAL  16          HG21      VAL  16  15.979  -6.313   2.073
  135   HG22  VAL  16          HG22      VAL  16  16.810  -7.797   2.546
  136   HG23  VAL  16          HG23      VAL  16  15.050  -7.713   2.613
  Start of MODEL   18
    1    H1   ARG   1           HT1      ARG   1  24.191  -3.714   0.425
    2    H2   ARG   1           HT2      ARG   1  24.449  -4.129  -1.202
    3    H3   ARG   1           HT3      ARG   1  22.867  -3.920  -0.617
    4    HA   ARG   1           HA       ARG   1  24.820  -1.711  -0.523
    5    HB2  ARG   1           HB2      ARG   1  24.448  -2.799  -2.881
    6    HB3  ARG   1           HB1      ARG   1  22.854  -2.050  -2.781
    7    HG2  ARG   1           HG2      ARG   1  24.039  -0.323  -3.774
    8    HG3  ARG   1           HG1      ARG   1  24.278   0.089  -2.079
    9    HD2  ARG   1           HD2      ARG   1  26.447   0.190  -3.024
   10    HD3  ARG   1           HD1      ARG   1  26.398  -1.367  -2.203
   11    HE   ARG   1           HE       ARG   1  25.581  -1.572  -4.946
   12   HH11  ARG   1          HH21      ARG   1  28.280  -1.322  -2.796
   13   HH12  ARG   1          HH22      ARG   1  29.380  -2.129  -3.862
   14   HH21  ARG   1          HH11      ARG   1  27.016  -2.631  -6.350
   15   HH22  ARG   1          HH12      ARG   1  28.664  -2.870  -5.877
   16    H    GLY   2           HN       GLY   2  22.540  -0.252  -1.912
   17    HA2  GLY   2           HA2      GLY   2  21.045   0.352   0.531
   18    HA3  GLY   2           HA1      GLY   2  21.060   1.307  -0.948
   19    H    GLY   3           HN       GLY   3  18.844   0.132   0.750
   20    HA2  GLY   3           HA2      GLY   3  16.977  -0.374  -1.268
   21    HA3  GLY   3           HA1      GLY   3  17.554  -1.936  -0.693
   22    H    ARG   4           HN       ARG   4  16.784  -2.740   1.194
   23    HA   ARG   4           HA       ARG   4  15.514  -2.937   3.094
   24    HB2  ARG   4           HB2      ARG   4  16.937  -0.845   3.673
   25    HB3  ARG   4           HB1      ARG   4  15.462   0.062   3.342
   26    HG2  ARG   4           HG2      ARG   4  14.243  -1.261   5.009
   27    HG3  ARG   4           HG1      ARG   4  15.684  -2.232   5.314
   28    HD2  ARG   4           HD2      ARG   4  16.879  -0.311   6.165
   29    HD3  ARG   4           HD1      ARG   4  15.572   0.770   5.690
   30    HE   ARG   4           HE       ARG   4  14.410  -1.060   7.400
   31   HH11  ARG   4          HH21      ARG   4  17.048   1.178   7.489
   32   HH12  ARG   4          HH22      ARG   4  16.908   1.488   9.187
   33   HH21  ARG   4          HH11      ARG   4  14.220  -0.655   9.629
   34   HH22  ARG   4          HH12      ARG   4  15.309   0.451  10.398
   35    H    LEU   5           HN       LEU   5  14.071  -3.266   0.929
   36    HA   LEU   5           HA       LEU   5  11.648  -1.592   1.285
   37    HB2  LEU   5           HB2      LEU   5  11.985  -3.211  -1.195
   38    HB3  LEU   5           HB1      LEU   5  11.256  -1.621  -0.979
   39    HG   LEU   5           HG       LEU   5  14.240  -2.143  -0.807
   40   HD11  LEU   5          HD11      LEU   5  14.305  -1.061  -3.054
   41   HD12  LEU   5          HD12      LEU   5  12.543  -1.119  -3.100
   42   HD13  LEU   5          HD13      LEU   5  13.473  -2.616  -3.070
   43   HD21  LEU   5          HD21      LEU   5  12.783   0.466  -1.272
   44   HD22  LEU   5          HD22      LEU   5  14.459   0.227  -0.783
   45   HD23  LEU   5          HD23      LEU   5  13.154  -0.111   0.352
   46    H    CYS   6           HN       CYS   6  10.107  -2.654   2.366
   47    HA   CYS   6           HA       CYS   6   9.954  -5.592   2.077
   48    HB2  CYS   6           HB2      CYS   6   8.742  -4.046   4.347
   49    HB3  CYS   6           HB1      CYS   6   9.172  -5.754   4.278
   50    H    TYR   7           HN       TYR   7   8.513  -5.975   0.515
   51    HA   TYR   7           HA       TYR   7   6.079  -4.407   0.277
   52    HB2  TYR   7           HB2      TYR   7   7.183  -6.786  -1.220
   53    HB3  TYR   7           HB1      TYR   7   5.585  -6.110  -1.546
   54    HD1  TYR   7           HD1      TYR   7   9.209  -5.522  -1.704
   55    HD2  TYR   7           HD2      TYR   7   5.323  -3.876  -2.490
   56    HE1  TYR   7           HE1      TYR   7  10.244  -3.728  -3.057
   57    HE2  TYR   7           HE2      TYR   7   6.352  -2.082  -3.845
   58    HH   TYR   7           HH       TYR   7   8.325  -1.054  -4.347
   59    H    CYS   8           HN       CYS   8   4.252  -4.859   1.361
   60    HA   CYS   8           HA       CYS   8   3.731  -7.638   2.170
   61    HB2  CYS   8           HB2      CYS   8   4.792  -6.332   4.058
   62    HB3  CYS   8           HB1      CYS   8   3.372  -5.291   4.037
   63    H    ARG   9           HN       ARG   9   1.819  -8.224   1.430
   64    HA   ARG   9           HA       ARG   9  -0.485  -6.487   1.728
   65    HB2  ARG   9           HB2      ARG   9   0.695  -5.991  -0.538
   66    HB3  ARG   9           HB1      ARG   9   0.067  -7.561  -1.030
   67    HG2  ARG   9           HG2      ARG   9  -1.532  -5.860  -1.689
   68    HG3  ARG   9           HG1      ARG   9  -2.226  -6.800  -0.372
   69    HD2  ARG   9           HD2      ARG   9  -2.213  -4.103  -0.379
   70    HD3  ARG   9           HD1      ARG   9  -2.144  -5.047   1.106
   71    HE   ARG   9           HE       ARG   9   0.093  -4.416   1.359
   72   HH11  ARG   9          HH21      ARG   9  -1.158  -3.546  -1.749
   73   HH12  ARG   9          HH22      ARG   9   0.197  -2.550  -2.168
   74   HH21  ARG   9          HH11      ARG   9   1.873  -3.112   0.814
   75   HH22  ARG   9          HH12      ARG   9   1.911  -2.306  -0.718
   76    H    ARG  10           HN       ARG  10  -2.502  -7.626   1.306
   77    HA   ARG  10           HA       ARG  10  -3.847  -9.447   1.744
   78    HB2  ARG  10           HB2      ARG  10  -1.923 -10.907  -0.074
   79    HB3  ARG  10           HB1      ARG  10  -3.640 -11.233   0.171
   80    HG2  ARG  10           HG2      ARG  10  -3.979  -8.778  -0.654
   81    HG3  ARG  10           HG1      ARG  10  -2.348  -8.947  -1.305
   82    HD2  ARG  10           HD2      ARG  10  -3.730  -9.636  -3.087
   83    HD3  ARG  10           HD1      ARG  10  -3.209 -11.150  -2.356
   84    HE   ARG  10           HE       ARG  10  -5.399 -11.498  -1.603
   85   HH11  ARG  10          HH21      ARG  10  -4.958  -8.320  -2.901
   86   HH12  ARG  10          HH22      ARG  10  -6.649  -7.948  -2.932
   87   HH21  ARG  10          HH11      ARG  10  -7.618 -11.015  -1.639
   88   HH22  ARG  10          HH12      ARG  10  -8.155  -9.474  -2.218
   89    H    ARG  11           HN       ARG  11  -2.197 -12.167   1.268
   90    HA   ARG  11           HA       ARG  11  -1.372 -12.373   4.104
   91    HB2  ARG  11           HB2      ARG  11  -1.882 -14.762   3.929
   92    HB3  ARG  11           HB1      ARG  11  -3.292 -13.795   3.504
   93    HG2  ARG  11           HG2      ARG  11  -2.527 -14.006   1.071
   94    HG3  ARG  11           HG1      ARG  11  -1.410 -15.247   1.639
   95    HD2  ARG  11           HD2      ARG  11  -4.346 -15.363   1.322
   96    HD3  ARG  11           HD1      ARG  11  -3.159 -16.662   1.271
   97    HE   ARG  11           HE       ARG  11  -3.693 -15.524   3.904
   98   HH11  ARG  11          HH21      ARG  11  -4.343 -17.973   1.545
   99   HH12  ARG  11          HH22      ARG  11  -4.977 -19.104   2.694
  100   HH21  ARG  11          HH11      ARG  11  -4.525 -17.000   5.413
  101   HH22  ARG  11          HH12      ARG  11  -5.080 -18.553   4.884
  102    H    PHE  12           HN       PHE  12   0.379 -11.354   2.088
  103    HA   PHE  12           HA       PHE  12   2.561 -13.240   2.423
  104    HB2  PHE  12           HB2      PHE  12   2.740 -13.997   0.303
  105    HB3  PHE  12           HB1      PHE  12   1.098 -13.408   0.068
  106    HD1  PHE  12           HD2      PHE  12   0.667 -11.269  -1.055
  107    HD2  PHE  12           HD1      PHE  12   4.666 -12.741  -0.509
  108    HE1  PHE  12           HE2      PHE  12   1.502  -9.615  -2.703
  109    HE2  PHE  12           HE1      PHE  12   5.500 -11.085  -2.157
  110    HZ   PHE  12           HZ       PHE  12   3.919  -9.523  -3.255
  111    H    CYS  13           HN       CYS  13   4.500 -12.229   2.569
  112    HA   CYS  13           HA       CYS  13   4.852  -9.530   1.531
  113    HB2  CYS  13           HB2      CYS  13   5.267 -10.033   4.480
  114    HB3  CYS  13           HB1      CYS  13   5.305  -8.491   3.627
  115    H    VAL  14           HN       VAL  14   7.123  -8.755   1.903
  116    HA   VAL  14           HA       VAL  14   9.161 -10.557   2.741
  117    HB   VAL  14           HB       VAL  14   8.456 -11.739   0.673
  118   HG11  VAL  14          HG11      VAL  14   7.769  -9.552  -0.471
  119   HG12  VAL  14          HG12      VAL  14   8.645 -10.710  -1.474
  120   HG13  VAL  14          HG13      VAL  14   9.482  -9.309  -0.808
  121   HG21  VAL  14          HG21      VAL  14  10.669 -12.057  -0.166
  122   HG22  VAL  14          HG22      VAL  14  10.870 -11.614   1.529
  123   HG23  VAL  14          HG23      VAL  14  11.147 -10.416   0.266
  124    H    CYS  15           HN       CYS  15  11.270  -9.694   2.498
  125    HA   CYS  15           HA       CYS  15  11.443  -6.945   1.463
  126    HB2  CYS  15           HB2      CYS  15  11.000  -7.158   4.046
  127    HB3  CYS  15           HB1      CYS  15  12.715  -7.577   4.101
  128    H    VAL  16           HN       VAL  16  13.523  -6.250   0.896
  129    HA   VAL  16           HA       VAL  16  15.438  -8.465   0.481
  130    HB   VAL  16           HB       VAL  16  16.348  -7.130  -1.335
  131   HG11  VAL  16          HG11      VAL  16  13.317  -7.241  -1.364
  132   HG12  VAL  16          HG12      VAL  16  14.411  -8.530  -1.863
  133   HG13  VAL  16          HG13      VAL  16  14.330  -7.034  -2.792
  134   HG21  VAL  16          HG21      VAL  16  16.149  -4.895  -0.519
  135   HG22  VAL  16          HG22      VAL  16  14.409  -5.056  -0.287
  136   HG23  VAL  16          HG23      VAL  16  15.077  -4.976  -1.917
  Start of MODEL   19
    1    H1   ARG   1           HT1      ARG   1  18.241   3.012   6.060
    2    H2   ARG   1           HT2      ARG   1  17.398   1.561   6.332
    3    H3   ARG   1           HT3      ARG   1  17.421   2.771   7.526
    4    HA   ARG   1           HA       ARG   1  15.302   2.770   6.394
    5    HB2  ARG   1           HB2      ARG   1  16.198   4.914   7.197
    6    HB3  ARG   1           HB1      ARG   1  17.088   5.121   5.690
    7    HG2  ARG   1           HG2      ARG   1  14.968   6.413   5.696
    8    HG3  ARG   1           HG1      ARG   1  14.991   5.192   4.425
    9    HD2  ARG   1           HD2      ARG   1  12.874   5.434   5.972
   10    HD3  ARG   1           HD1      ARG   1  13.442   3.834   5.510
   11    HE   ARG   1           HE       ARG   1  14.763   4.169   7.803
   12   HH11  ARG   1          HH21      ARG   1  11.492   4.906   6.940
   13   HH12  ARG   1          HH22      ARG   1  10.872   4.667   8.539
   14   HH21  ARG   1          HH11      ARG   1  13.955   3.851   9.900
   15   HH22  ARG   1          HH12      ARG   1  12.267   4.069  10.214
   16    H    GLY   2           HN       GLY   2  17.408   4.368   4.046
   17    HA2  GLY   2           HA2      GLY   2  15.917   3.228   1.844
   18    HA3  GLY   2           HA1      GLY   2  17.256   4.365   1.725
   19    H    GLY   3           HN       GLY   3  16.369   0.988   2.011
   20    HA2  GLY   3           HA2      GLY   3  18.403  -0.014   0.419
   21    HA3  GLY   3           HA1      GLY   3  19.009  -0.081   2.070
   22    H    ARG   4           HN       ARG   4  16.377  -0.511   3.242
   23    HA   ARG   4           HA       ARG   4  15.880  -3.296   2.355
   24    HB2  ARG   4           HB2      ARG   4  15.958  -2.112   5.133
   25    HB3  ARG   4           HB1      ARG   4  15.219  -3.673   4.782
   26    HG2  ARG   4           HG2      ARG   4  17.281  -4.600   4.036
   27    HG3  ARG   4           HG1      ARG   4  18.046  -3.013   3.946
   28    HD2  ARG   4           HD2      ARG   4  18.092  -2.793   6.322
   29    HD3  ARG   4           HD1      ARG   4  17.013  -4.169   6.541
   30    HE   ARG   4           HE       ARG   4  19.517  -4.793   5.209
   31   HH11  ARG   4          HH21      ARG   4  17.778  -4.492   8.186
   32   HH12  ARG   4          HH22      ARG   4  18.816  -5.568   9.060
   33   HH21  ARG   4          HH11      ARG   4  20.882  -6.204   6.350
   34   HH22  ARG   4          HH12      ARG   4  20.574  -6.537   8.021
   35    H    LEU   5           HN       LEU   5  13.914  -3.586   1.551
   36    HA   LEU   5           HA       LEU   5  11.679  -1.968   2.620
   37    HB2  LEU   5           HB2      LEU   5  10.822  -2.337   0.115
   38    HB3  LEU   5           HB1      LEU   5  11.822  -0.954   0.556
   39    HG   LEU   5           HG       LEU   5  13.238  -3.476  -0.209
   40   HD11  LEU   5          HD11      LEU   5  11.705  -1.701  -2.112
   41   HD12  LEU   5          HD12      LEU   5  11.681  -3.461  -2.000
   42   HD13  LEU   5          HD13      LEU   5  13.106  -2.638  -2.634
   43   HD21  LEU   5          HD21      LEU   5  14.272  -1.220   0.524
   44   HD22  LEU   5          HD22      LEU   5  13.779  -0.629  -1.062
   45   HD23  LEU   5          HD23      LEU   5  14.918  -1.967  -0.935
   46    H    CYS   6           HN       CYS   6   9.911  -3.111   3.175
   47    HA   CYS   6           HA       CYS   6   9.863  -5.986   2.470
   48    HB2  CYS   6           HB2      CYS   6   8.919  -4.552   4.949
   49    HB3  CYS   6           HB1      CYS   6   8.506  -6.225   4.581
   50    H    TYR   7           HN       TYR   7   8.533  -6.094   0.748
   51    HA   TYR   7           HA       TYR   7   6.147  -4.518   0.498
   52    HB2  TYR   7           HB2      TYR   7   7.272  -6.884  -0.996
   53    HB3  TYR   7           HB1      TYR   7   5.670  -6.241  -1.358
   54    HD1  TYR   7           HD2      TYR   7   5.591  -3.574  -1.541
   55    HD2  TYR   7           HD1      TYR   7   9.074  -6.001  -2.184
   56    HE1  TYR   7           HE2      TYR   7   6.608  -1.755  -2.871
   57    HE2  TYR   7           HE1      TYR   7  10.093  -4.183  -3.516
   58    HH   TYR   7           HH       TYR   7   8.498  -1.029  -3.853
   59    H    CYS   8           HN       CYS   8   4.038  -5.092   0.950
   60    HA   CYS   8           HA       CYS   8   3.598  -7.736   2.184
   61    HB2  CYS   8           HB2      CYS   8   3.108  -5.041   3.330
   62    HB3  CYS   8           HB1      CYS   8   1.868  -6.261   3.613
   63    H    ARG   9           HN       ARG   9   2.458  -8.694   0.629
   64    HA   ARG   9           HA       ARG   9   0.150  -7.276  -0.537
   65    HB2  ARG   9           HB2      ARG   9   2.093  -8.738  -1.780
   66    HB3  ARG   9           HB1      ARG   9   0.864  -9.973  -1.535
   67    HG2  ARG   9           HG2      ARG   9   0.263  -9.054  -3.611
   68    HG3  ARG   9           HG1      ARG   9  -0.790  -8.199  -2.487
   69    HD2  ARG   9           HD2      ARG   9   0.403  -6.741  -4.205
   70    HD3  ARG   9           HD1      ARG   9   0.584  -6.247  -2.526
   71    HE   ARG   9           HE       ARG   9   2.850  -6.805  -2.647
   72   HH11  ARG   9          HH21      ARG   9   1.092  -7.968  -5.391
   73   HH12  ARG   9          HH22      ARG   9   2.509  -8.396  -6.290
   74   HH21  ARG   9          HH11      ARG   9   4.712  -7.367  -3.818
   75   HH22  ARG   9          HH12      ARG   9   4.559  -8.056  -5.399
   76    H    ARG  10           HN       ARG  10  -1.560  -7.516   0.791
   77    HA   ARG  10           HA       ARG  10  -3.168  -8.512   2.100
   78    HB2  ARG  10           HB2      ARG  10  -3.408  -9.659  -0.208
   79    HB3  ARG  10           HB1      ARG  10  -2.634 -11.045   0.558
   80    HG2  ARG  10           HG2      ARG  10  -4.853 -11.540   1.009
   81    HG3  ARG  10           HG1      ARG  10  -4.461 -10.593   2.443
   82    HD2  ARG  10           HD2      ARG  10  -6.485  -9.655   1.668
   83    HD3  ARG  10           HD1      ARG  10  -5.248  -8.546   1.088
   84    HE   ARG  10           HE       ARG  10  -6.726 -10.504  -0.557
   85   HH11  ARG  10          HH21      ARG  10  -4.531  -7.832  -0.248
   86   HH12  ARG  10          HH22      ARG  10  -4.566  -7.440  -1.933
   87   HH21  ARG  10          HH11      ARG  10  -6.765  -9.986  -2.760
   88   HH22  ARG  10          HH12      ARG  10  -5.826  -8.656  -3.353
   89    H    ARG  11           HN       ARG  11  -2.820 -11.667   2.265
   90    HA   ARG  11           HA       ARG  11  -1.537 -11.575   4.857
   91    HB2  ARG  11           HB2      ARG  11  -2.404 -14.090   3.454
   92    HB3  ARG  11           HB1      ARG  11  -2.373 -13.735   5.182
   93    HG2  ARG  11           HG2      ARG  11  -4.079 -11.839   4.542
   94    HG3  ARG  11           HG1      ARG  11  -4.330 -12.806   3.093
   95    HD2  ARG  11           HD2      ARG  11  -5.338 -14.526   4.251
   96    HD3  ARG  11           HD1      ARG  11  -4.402 -14.238   5.715
   97    HE   ARG  11           HE       ARG  11  -5.991 -12.019   5.488
   98   HH11  ARG  11          HH21      ARG  11  -6.490 -15.445   5.522
   99   HH12  ARG  11          HH22      ARG  11  -8.055 -15.349   6.260
  100   HH21  ARG  11          HH11      ARG  11  -8.043 -11.887   6.459
  101   HH22  ARG  11          HH12      ARG  11  -8.933 -13.334   6.790
  102    H    PHE  12           HN       PHE  12   0.149 -11.019   2.502
  103    HA   PHE  12           HA       PHE  12   2.214 -13.046   3.051
  104    HB2  PHE  12           HB2      PHE  12   0.779 -13.165   0.723
  105    HB3  PHE  12           HB1      PHE  12   2.126 -12.135   0.240
  106    HD1  PHE  12           HD2      PHE  12   1.396 -15.326   2.067
  107    HD2  PHE  12           HD1      PHE  12   4.178 -13.114  -0.347
  108    HE1  PHE  12           HE2      PHE  12   2.865 -17.320   1.930
  109    HE2  PHE  12           HE1      PHE  12   5.648 -15.107  -0.479
  110    HZ   PHE  12           HZ       PHE  12   4.990 -17.210   0.658
  111    H    CYS  13           HN       CYS  13   4.301 -12.253   3.051
  112    HA   CYS  13           HA       CYS  13   4.776  -9.505   2.169
  113    HB2  CYS  13           HB2      CYS  13   5.183 -10.437   5.017
  114    HB3  CYS  13           HB1      CYS  13   5.849  -8.943   4.360
  115    H    VAL  14           HN       VAL  14   7.047  -8.926   2.129
  116    HA   VAL  14           HA       VAL  14   9.119 -10.806   2.636
  117    HB   VAL  14           HB       VAL  14   8.037 -11.950   0.699
  118   HG11  VAL  14          HG11      VAL  14   7.318  -9.733  -0.352
  119   HG12  VAL  14          HG12      VAL  14   7.996 -10.926  -1.462
  120   HG13  VAL  14          HG13      VAL  14   8.982  -9.571  -0.915
  121   HG21  VAL  14          HG21      VAL  14  10.742 -10.764   0.011
  122   HG22  VAL  14          HG22      VAL  14  10.102 -12.321  -0.513
  123   HG23  VAL  14          HG23      VAL  14  10.513 -12.061   1.183
  124    H    CYS  15           HN       CYS  15  11.187  -9.984   2.130
  125    HA   CYS  15           HA       CYS  15  11.205  -7.162   1.235
  126    HB2  CYS  15           HB2      CYS  15  13.205  -8.177   3.222
  127    HB3  CYS  15           HB1      CYS  15  12.616  -6.534   2.970
  128    H    VAL  16           HN       VAL  16  13.387  -6.418   0.520
  129    HA   VAL  16           HA       VAL  16  14.317  -7.871  -1.644
  130    HB   VAL  16           HB       VAL  16  16.443  -6.483  -1.360
  131   HG11  VAL  16          HG11      VAL  16  13.651  -5.357  -1.511
  132   HG12  VAL  16          HG12      VAL  16  14.828  -5.571  -2.805
  133   HG13  VAL  16          HG13      VAL  16  15.053  -4.289  -1.616
  134   HG21  VAL  16          HG21      VAL  16  16.483  -4.823   0.372
  135   HG22  VAL  16          HG22      VAL  16  16.126  -6.356   1.168
  136   HG23  VAL  16          HG23      VAL  16  14.831  -5.200   0.859
  Start of MODEL   20
    1    H1   ARG   1           HT1      ARG   1  24.509   3.367  -1.177
    2    H2   ARG   1           HT2      ARG   1  24.818   2.038  -0.168
    3    H3   ARG   1           HT3      ARG   1  25.701   3.478   0.024
    4    HA   ARG   1           HA       ARG   1  24.251   3.943   1.637
    5    HB2  ARG   1           HB2      ARG   1  23.603   5.297  -0.522
    6    HB3  ARG   1           HB1      ARG   1  22.154   4.292  -0.495
    7    HG2  ARG   1           HG2      ARG   1  21.694   5.007   1.822
    8    HG3  ARG   1           HG1      ARG   1  23.143   6.014   1.799
    9    HD2  ARG   1           HD2      ARG   1  21.552   7.592   1.211
   10    HD3  ARG   1           HD1      ARG   1  22.006   7.010  -0.387
   11    HE   ARG   1           HE       ARG   1  19.925   5.944  -0.553
   12   HH11  ARG   1          HH21      ARG   1  20.502   7.216   2.614
   13   HH12  ARG   1          HH22      ARG   1  18.865   7.008   3.145
   14   HH21  ARG   1          HH11      ARG   1  17.779   5.667   0.138
   15   HH22  ARG   1          HH12      ARG   1  17.326   6.132   1.744
   16    H    GLY   2           HN       GLY   2  23.474   2.491   3.031
   17    HA2  GLY   2           HA2      GLY   2  22.110   0.109   2.231
   18    HA3  GLY   2           HA1      GLY   2  22.343   0.666   3.884
   19    H    GLY   3           HN       GLY   3  19.950  -0.495   2.674
   20    HA2  GLY   3           HA2      GLY   3  17.925   0.877   3.883
   21    HA3  GLY   3           HA1      GLY   3  18.030   1.622   2.291
   22    H    ARG   4           HN       ARG   4  16.481  -0.717   4.008
   23    HA   ARG   4           HA       ARG   4  15.837  -2.253   1.560
   24    HB2  ARG   4           HB2      ARG   4  15.610  -3.587   4.223
   25    HB3  ARG   4           HB1      ARG   4  16.005  -4.274   2.647
   26    HG2  ARG   4           HG2      ARG   4  18.069  -4.357   3.749
   27    HG3  ARG   4           HG1      ARG   4  18.191  -2.848   2.848
   28    HD2  ARG   4           HD2      ARG   4  18.713  -1.912   4.852
   29    HD3  ARG   4           HD1      ARG   4  16.989  -2.019   5.192
   30    HE   ARG   4           HE       ARG   4  17.413  -3.846   6.603
   31   HH11  ARG   4          HH21      ARG   4  20.219  -2.873   4.825
   32   HH12  ARG   4          HH22      ARG   4  21.318  -3.816   5.773
   33   HH21  ARG   4          HH11      ARG   4  18.850  -5.084   7.853
   34   HH22  ARG   4          HH12      ARG   4  20.543  -5.067   7.489
   35    H    LEU   5           HN       LEU   5  13.714  -3.583   2.050
   36    HA   LEU   5           HA       LEU   5  11.814  -2.275   3.782
   37    HB2  LEU   5           HB2      LEU   5  10.432  -1.242   2.194
   38    HB3  LEU   5           HB1      LEU   5  12.052  -0.812   1.656
   39    HG   LEU   5           HG       LEU   5  11.888  -2.999   0.222
   40   HD11  LEU   5          HD11      LEU   5   9.926  -4.103   0.264
   41   HD12  LEU   5          HD12      LEU   5   9.092  -2.657  -0.302
   42   HD13  LEU   5          HD13      LEU   5   9.279  -2.946   1.425
   43   HD21  LEU   5          HD21      LEU   5  10.798  -1.682  -1.604
   44   HD22  LEU   5          HD22      LEU   5  12.029  -0.761  -0.741
   45   HD23  LEU   5          HD23      LEU   5  10.320  -0.478  -0.408
   46    H    CYS   6           HN       CYS   6   9.849  -3.423   3.955
   47    HA   CYS   6           HA       CYS   6   9.924  -6.115   2.736
   48    HB2  CYS   6           HB2      CYS   6   8.533  -5.315   5.292
   49    HB3  CYS   6           HB1      CYS   6   8.778  -6.948   4.673
   50    H    TYR   7           HN       TYR   7   8.649  -6.055   1.000
   51    HA   TYR   7           HA       TYR   7   6.314  -4.440   0.762
   52    HB2  TYR   7           HB2      TYR   7   7.466  -6.730  -0.820
   53    HB3  TYR   7           HB1      TYR   7   5.885  -6.059  -1.217
   54    HD1  TYR   7           HD1      TYR   7   5.797  -3.412  -1.316
   55    HD2  TYR   7           HD2      TYR   7   9.351  -5.767  -1.806
   56    HE1  TYR   7           HE1      TYR   7   6.876  -1.530  -2.508
   57    HE2  TYR   7           HE2      TYR   7  10.433  -3.890  -2.999
   58    HH   TYR   7           HH       TYR   7   9.227  -1.688  -4.445
   59    H    CYS   8           HN       CYS   8   4.456  -4.769   1.815
   60    HA   CYS   8           HA       CYS   8   3.674  -7.551   2.472
   61    HB2  CYS   8           HB2      CYS   8   3.411  -4.977   3.972
   62    HB3  CYS   8           HB1      CYS   8   2.174  -6.216   4.192
   63    H    ARG   9           HN       ARG   9   2.108  -8.287   1.228
   64    HA   ARG   9           HA       ARG   9  -0.139  -6.510   0.532
   65    HB2  ARG   9           HB2      ARG   9   1.320  -8.332  -1.397
   66    HB3  ARG   9           HB1      ARG   9  -0.172  -7.460  -1.751
   67    HG2  ARG   9           HG2      ARG   9   1.186  -5.349  -1.000
   68    HG3  ARG   9           HG1      ARG   9   2.596  -6.363  -1.308
   69    HD2  ARG   9           HD2      ARG   9   2.055  -5.104  -3.325
   70    HD3  ARG   9           HD1      ARG   9   1.729  -6.813  -3.599
   71    HE   ARG   9           HE       ARG   9  -0.614  -5.505  -2.660
   72   HH11  ARG   9          HH21      ARG   9   1.462  -5.833  -5.410
   73   HH12  ARG   9          HH22      ARG   9   0.215  -5.494  -6.564
   74   HH21  ARG   9          HH11      ARG   9  -2.253  -5.061  -4.168
   75   HH22  ARG   9          HH12      ARG   9  -1.888  -5.059  -5.863
   76    H    ARG  10           HN       ARG  10  -2.128  -7.537   0.369
   77    HA   ARG  10           HA       ARG  10  -3.693  -9.072   1.096
   78    HB2  ARG  10           HB2      ARG  10  -1.804 -10.815  -0.500
   79    HB3  ARG  10           HB1      ARG  10  -3.418 -11.308   0.013
   80    HG2  ARG  10           HG2      ARG  10  -4.420 -10.102  -1.629
   81    HG3  ARG  10           HG1      ARG  10  -3.428  -8.683  -1.298
   82    HD2  ARG  10           HD2      ARG  10  -1.549  -9.752  -2.543
   83    HD3  ARG  10           HD1      ARG  10  -2.617 -11.095  -2.947
   84    HE   ARG  10           HE       ARG  10  -2.656  -8.437  -4.111
   85   HH11  ARG  10          HH21      ARG  10  -4.385 -11.362  -3.456
   86   HH12  ARG  10          HH22      ARG  10  -5.506 -11.152  -4.759
   87   HH21  ARG  10          HH11      ARG  10  -4.122  -8.154  -5.820
   88   HH22  ARG  10          HH12      ARG  10  -5.357  -9.336  -6.099
   89    H    ARG  11           HN       ARG  11  -2.098 -11.954   1.146
   90    HA   ARG  11           HA       ARG  11  -1.578 -11.765   4.059
   91    HB2  ARG  11           HB2      ARG  11  -2.631 -14.081   2.419
   92    HB3  ARG  11           HB1      ARG  11  -2.181 -14.185   4.121
   93    HG2  ARG  11           HG2      ARG  11  -3.949 -12.820   4.813
   94    HG3  ARG  11           HG1      ARG  11  -4.116 -12.062   3.227
   95    HD2  ARG  11           HD2      ARG  11  -5.826 -13.941   4.067
   96    HD3  ARG  11           HD1      ARG  11  -5.370 -13.795   2.372
   97    HE   ARG  11           HE       ARG  11  -3.509 -15.493   3.593
   98   HH11  ARG  11          HH21      ARG  11  -6.893 -15.337   2.891
   99   HH12  ARG  11          HH22      ARG  11  -7.084 -17.052   2.750
  100   HH21  ARG  11          HH11      ARG  11  -3.752 -17.747   3.411
  101   HH22  ARG  11          HH12      ARG  11  -5.308 -18.416   3.045
  102    H    PHE  12           HN       PHE  12   0.484 -11.088   2.413
  103    HA   PHE  12           HA       PHE  12   2.426 -13.124   3.055
  104    HB2  PHE  12           HB2      PHE  12   1.234 -13.346   0.559
  105    HB3  PHE  12           HB1      PHE  12   2.715 -12.456   0.216
  106    HD1  PHE  12           HD1      PHE  12   4.814 -13.401   1.714
  107    HD2  PHE  12           HD2      PHE  12   1.407 -15.662   0.395
  108    HE1  PHE  12           HE1      PHE  12   6.126 -15.496   1.915
  109    HE2  PHE  12           HE2      PHE  12   2.720 -17.756   0.597
  110    HZ   PHE  12           HZ       PHE  12   5.079 -17.673   1.357
  111    H    CYS  13           HN       CYS  13   4.467 -12.273   3.260
  112    HA   CYS  13           HA       CYS  13   4.878  -9.491   2.356
  113    HB2  CYS  13           HB2      CYS  13   5.340 -10.607   5.123
  114    HB3  CYS  13           HB1      CYS  13   6.088  -9.112   4.557
  115    H    VAL  14           HN       VAL  14   6.866  -9.029   1.586
  116    HA   VAL  14           HA       VAL  14   9.012 -11.032   1.920
  117    HB   VAL  14           HB       VAL  14   8.277  -9.722  -0.711
  118   HG11  VAL  14          HG11      VAL  14  10.370 -11.747   0.125
  119   HG12  VAL  14          HG12      VAL  14  10.639 -10.162  -0.600
  120   HG13  VAL  14          HG13      VAL  14   9.923 -11.459  -1.557
  121   HG21  VAL  14          HG21      VAL  14   7.890 -12.568   0.274
  122   HG22  VAL  14          HG22      VAL  14   7.603 -12.020  -1.376
  123   HG23  VAL  14          HG23      VAL  14   6.608 -11.405  -0.058
  124    H    CYS  15           HN       CYS  15  11.071 -10.179   2.040
  125    HA   CYS  15           HA       CYS  15  11.322  -7.244   1.794
  126    HB2  CYS  15           HB2      CYS  15  11.208  -8.490   4.208
  127    HB3  CYS  15           HB1      CYS  15  12.941  -8.553   3.899
  128    H    VAL  16           HN       VAL  16  13.306  -6.447   1.146
  129    HA   VAL  16           HA       VAL  16  15.012  -8.424  -0.214
  130    HB   VAL  16           HB       VAL  16  16.001  -6.284  -1.236
  131   HG11  VAL  16          HG11      VAL  16  13.924  -5.998  -2.707
  132   HG12  VAL  16          HG12      VAL  16  13.141  -7.174  -1.652
  133   HG13  VAL  16          HG13      VAL  16  14.567  -7.635  -2.582
  134   HG21  VAL  16          HG21      VAL  16  14.715  -4.267  -1.048
  135   HG22  VAL  16          HG22      VAL  16  14.981  -4.838   0.601
  136   HG23  VAL  16          HG23      VAL  16  13.421  -5.097  -0.183