*HEADER    TOXIN                                   27-APR-18   6D8Y              
*TITLE     NMR SOLUTION STRUCTURE OF TAMAPIN, MUTANT Y31H                        
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN ALPHA-KTX 5.4;                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: TAMAPIN;                                                    
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: MESOBUTHUS TAMULUS;                             
*SOURCE   3 ORGANISM_COMMON: EASTERN INDIAN SCORPION;                            
*SOURCE   4 ORGANISM_TAXID: 34647;                                               
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETTA                                    
*KEYWDS    TAMAPIN MUTANT, Y31H, CSALPHA/BETA, SK CHANNELS, TOXIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    F.DEL RIO PORTILLA,C.M.MELCHOR MENESES,G.A.TITAUX DELGADO,M.MAYORGA   
*AUTHOR   2 FLORES                                                               
*REVDAT   1   01-MAY-19 6D8Y    0                                                
# Restraints file 1: final.aco
   1 ALA   PHI    -175.0    75.0 5.00E-01 type=2
   1 ALA   PSI     -75.0   185.0 5.00E-01 type=2
   1 ALA   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   1 ALA   PSI      25.0    55.0 5.00E-01 type=2
   1 ALA   PHI    -135.0    75.0 5.00E-01 type=2 OR
   1 ALA   PSI     105.0   185.0 5.00E-01 type=2
   2 PHE   PHI    -175.0    75.0 5.00E-01 type=2
   2 PHE   PSI     -75.0   185.0 5.00E-01 type=2
   2 PHE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   2 PHE   PSI      25.0    55.0 5.00E-01 type=2
   2 PHE   PHI    -135.0    75.0 5.00E-01 type=2 OR
   2 PHE   PSI     105.0   185.0 5.00E-01 type=2
   3 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   3 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   3 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   3 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   3 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   3 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   4 ASN   PHI    -175.0    75.0 5.00E-01 type=2
   4 ASN   PSI     -75.0   185.0 5.00E-01 type=2
   4 ASN   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   4 ASN   PSI      25.0    55.0 5.00E-01 type=2
   4 ASN   PHI    -135.0    75.0 5.00E-01 type=2 OR
   4 ASN   PSI     105.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -175.0    75.0 5.00E-01 type=2
   5 LEU   PSI     -75.0   185.0 5.00E-01 type=2
   5 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   5 LEU   PSI      25.0    55.0 5.00E-01 type=2
   5 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
   5 LEU   PSI     105.0   185.0 5.00E-01 type=2
   6 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   6 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   6 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   6 ARG   PSI      25.0    55.0 5.00E-01 type=2
   6 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   6 ARG   PSI     105.0   185.0 5.00E-01 type=2
   7 ARG   PHI    -175.0    75.0 5.00E-01 type=2
   7 ARG   PSI     -75.0   185.0 5.00E-01 type=2
   7 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   7 ARG   PSI      25.0    55.0 5.00E-01 type=2
   7 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
   7 ARG   PSI     105.0   185.0 5.00E-01 type=2
   8 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
   8 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
   8 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
   8 CYSS  PSI      25.0    55.0 5.00E-01 type=2
   8 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
   8 CYSS  PSI     105.0   185.0 5.00E-01 type=2
   9 GLU   PHI    -175.0    75.0 5.00E-01 type=2
   9 GLU   PSI     -75.0   185.0 5.00E-01 type=2
   9 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
   9 GLU   PSI      25.0    55.0 5.00E-01 type=2
   9 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
   9 GLU   PSI     105.0   185.0 5.00E-01 type=2
  10 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  10 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  10 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  10 LEU   PSI      25.0    55.0 5.00E-01 type=2
  10 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  10 LEU   PSI     105.0   185.0 5.00E-01 type=2
  11 SER   PHI    -175.0    75.0 5.00E-01 type=2
  11 SER   PSI     -75.0   185.0 5.00E-01 type=2
  11 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  11 SER   PSI      25.0    55.0 5.00E-01 type=2
  11 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
  11 SER   PSI     105.0   185.0 5.00E-01 type=2
  12 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  12 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  12 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  12 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  12 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  12 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  13 ARG   PHI    -175.0    75.0 5.00E-01 type=2
  13 ARG   PSI     -75.0   185.0 5.00E-01 type=2
  13 ARG   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  13 ARG   PSI      25.0    55.0 5.00E-01 type=2
  13 ARG   PHI    -135.0    75.0 5.00E-01 type=2 OR
  13 ARG   PSI     105.0   185.0 5.00E-01 type=2
  14 SER   PHI    -175.0    75.0 5.00E-01 type=2
  14 SER   PSI     -75.0   185.0 5.00E-01 type=2
  14 SER   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  14 SER   PSI      25.0    55.0 5.00E-01 type=2
  14 SER   PHI    -135.0    75.0 5.00E-01 type=2 OR
  14 SER   PSI     105.0   185.0 5.00E-01 type=2
  15 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  15 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  15 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  15 LEU   PSI      25.0    55.0 5.00E-01 type=2
  15 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  15 LEU   PSI     105.0   185.0 5.00E-01 type=2
  17 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  17 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  17 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  17 LEU   PSI      25.0    55.0 5.00E-01 type=2
  17 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  17 LEU   PSI     105.0   185.0 5.00E-01 type=2
  18 LEU   PHI    -175.0    75.0 5.00E-01 type=2
  18 LEU   PSI     -75.0   185.0 5.00E-01 type=2
  18 LEU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  18 LEU   PSI      25.0    55.0 5.00E-01 type=2
  18 LEU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  18 LEU   PSI     105.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  20 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  20 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  20 LYS   PSI      25.0    55.0 5.00E-01 type=2
  20 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  20 LYS   PSI     105.0   185.0 5.00E-01 type=2
  21 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  21 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  21 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  21 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  21 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  21 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  22 ILE   PHI    -175.0    75.0 5.00E-01 type=2
  22 ILE   PSI     -75.0   185.0 5.00E-01 type=2
  22 ILE   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  22 ILE   PSI      25.0    55.0 5.00E-01 type=2
  22 ILE   PHI    -135.0    75.0 5.00E-01 type=2 OR
  22 ILE   PSI     105.0   185.0 5.00E-01 type=2
  24 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  24 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  24 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  24 GLU   PSI      25.0    55.0 5.00E-01 type=2
  24 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  24 GLU   PSI     105.0   185.0 5.00E-01 type=2
  25 GLU   PHI    -175.0    75.0 5.00E-01 type=2
  25 GLU   PSI     -75.0   185.0 5.00E-01 type=2
  25 GLU   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  25 GLU   PSI      25.0    55.0 5.00E-01 type=2
  25 GLU   PHI    -135.0    75.0 5.00E-01 type=2 OR
  25 GLU   PSI     105.0   185.0 5.00E-01 type=2
  26 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  26 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  26 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  26 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  26 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  26 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  27 LYS   PHI    -175.0    75.0 5.00E-01 type=2
  27 LYS   PSI     -75.0   185.0 5.00E-01 type=2
  27 LYS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  27 LYS   PSI      25.0    55.0 5.00E-01 type=2
  27 LYS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  27 LYS   PSI     105.0   185.0 5.00E-01 type=2
  28 CYSS  PHI    -175.0    75.0 5.00E-01 type=2
  28 CYSS  PSI     -75.0   185.0 5.00E-01 type=2
  28 CYSS  PHI    -255.0   -25.0 5.00E-01 type=2 OR
  28 CYSS  PSI      25.0    55.0 5.00E-01 type=2
  28 CYSS  PHI    -135.0    75.0 5.00E-01 type=2 OR
  28 CYSS  PSI     105.0   185.0 5.00E-01 type=2
  31 HIS   PHI    -175.0    75.0 5.00E-01 type=2
  31 HIS   PSI     -75.0   185.0 5.00E-01 type=2
  31 HIS   PHI    -255.0   -25.0 5.00E-01 type=2 OR
  31 HIS   PSI      25.0    55.0 5.00E-01 type=2
  31 HIS   PHI    -135.0    75.0 5.00E-01 type=2 OR
  31 HIS   PSI     105.0   185.0 5.00E-01 type=2
   2 PHE   CHI1    -90.0   210.0 2.00E-01 type=2
   2 PHE   CHI1   -330.0   -30.0 2.00E-01 type=2
   2 PHE   CHI1   -210.0    90.0 2.00E-01 type=2
   3 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   3 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   3 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   4 ASN   CHI1    -90.0   210.0 2.00E-01 type=2
   4 ASN   CHI1   -330.0   -30.0 2.00E-01 type=2
   4 ASN   CHI1   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
   5 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
   5 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
   5 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   6 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   6 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   6 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
   7 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
   7 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
   7 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
   8 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
   8 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
   8 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
   9 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
   9 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
   9 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
   9 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
   9 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
   9 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  10 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  10 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  10 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  10 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  10 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  10 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  11 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  11 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  11 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  12 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  12 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  12 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI1    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI1   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI1   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI2    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI2   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI2   -210.0    90.0 2.00E-01 type=2
  13 ARG   CHI3    -90.0   210.0 2.00E-01 type=2
  13 ARG   CHI3   -330.0   -30.0 2.00E-01 type=2
  13 ARG   CHI3   -210.0    90.0 2.00E-01 type=2
  14 SER   CHI1    -90.0   210.0 2.00E-01 type=2
  14 SER   CHI1   -330.0   -30.0 2.00E-01 type=2
  14 SER   CHI1   -210.0    90.0 2.00E-01 type=2
  15 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  15 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  15 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  15 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  15 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  15 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  17 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  17 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  17 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  17 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  17 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  17 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  18 LEU   CHI1    -90.0   210.0 2.00E-01 type=2
  18 LEU   CHI1   -330.0   -30.0 2.00E-01 type=2
  18 LEU   CHI1   -210.0    90.0 2.00E-01 type=2
  18 LEU   CHI2    -90.0   210.0 2.00E-01 type=2
  18 LEU   CHI2   -330.0   -30.0 2.00E-01 type=2
  18 LEU   CHI2   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  20 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  20 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  20 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  21 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  21 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  21 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  22 ILE   CHI1    -90.0   210.0 2.00E-01 type=2
  22 ILE   CHI1   -330.0   -30.0 2.00E-01 type=2
  22 ILE   CHI1   -210.0    90.0 2.00E-01 type=2
  22 ILE   CHI21   -90.0   210.0 2.00E-01 type=2
  22 ILE   CHI21  -330.0   -30.0 2.00E-01 type=2
  22 ILE   CHI21  -210.0    90.0 2.00E-01 type=2
  24 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  24 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  24 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  24 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  24 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  24 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  25 GLU   CHI1    -90.0   210.0 2.00E-01 type=2
  25 GLU   CHI1   -330.0   -30.0 2.00E-01 type=2
  25 GLU   CHI1   -210.0    90.0 2.00E-01 type=2
  25 GLU   CHI2    -90.0   210.0 2.00E-01 type=2
  25 GLU   CHI2   -330.0   -30.0 2.00E-01 type=2
  25 GLU   CHI2   -210.0    90.0 2.00E-01 type=2
  26 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  26 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  26 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  27 LYS   CHI1    -90.0   210.0 2.00E-01 type=2
  27 LYS   CHI1   -330.0   -30.0 2.00E-01 type=2
  27 LYS   CHI1   -210.0    90.0 2.00E-01 type=2
  27 LYS   CHI2    -90.0   210.0 2.00E-01 type=2
  27 LYS   CHI2   -330.0   -30.0 2.00E-01 type=2
  27 LYS   CHI2   -210.0    90.0 2.00E-01 type=2
  27 LYS   CHI3    -90.0   210.0 2.00E-01 type=2
  27 LYS   CHI3   -330.0   -30.0 2.00E-01 type=2
  27 LYS   CHI3   -210.0    90.0 2.00E-01 type=2
  27 LYS   CHI4    -90.0   210.0 2.00E-01 type=2
  27 LYS   CHI4   -330.0   -30.0 2.00E-01 type=2
  27 LYS   CHI4   -210.0    90.0 2.00E-01 type=2
  28 CYSS  CHI1    -90.0   210.0 2.00E-01 type=2
  28 CYSS  CHI1   -330.0   -30.0 2.00E-01 type=2
  28 CYSS  CHI1   -210.0    90.0 2.00E-01 type=2
  29 VAL   CHI1    -90.0   210.0 2.00E-01 type=2
  29 VAL   CHI1   -330.0   -30.0 2.00E-01 type=2
  29 VAL   CHI1   -210.0    90.0 2.00E-01 type=2
  31 HIS   CHI1    -90.0   210.0 2.00E-01 type=2
  31 HIS   CHI1   -330.0   -30.0 2.00E-01 type=2
  31 HIS   CHI1   -210.0    90.0 2.00E-01 type=2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  11.832  16.436  22.640
    2    H2   ALA   1           H2       ALA   1  12.220  17.442  23.866
    3    H3   ALA   1           H3       ALA   1  12.823  15.902  23.843
    4    HA   ALA   1           HA       ALA   1  13.394  17.846  21.721
    5    HB1  ALA   1           HB1      ALA   1  15.598  18.215  22.696
    6    HB2  ALA   1           HB2      ALA   1  14.356  18.669  23.882
    7    HB3  ALA   1           HB3      ALA   1  15.231  17.121  24.037
    8    H    PHE   2           H        PHE   2  14.760  16.987  20.087
    9    HA   PHE   2           HA       PHE   2  15.828  14.245  20.448
   10    HB2  PHE   2           HB2      PHE   2  14.284  14.882  17.933
   11    HB3  PHE   2           HB3      PHE   2  14.797  13.323  18.536
   12    HD1  PHE   2           HD1      PHE   2  13.615  12.549  20.827
   13    HD2  PHE   2           HD2      PHE   2  12.060  15.486  18.078
   14    HE1  PHE   2           HE1      PHE   2  11.330  12.215  21.752
   15    HE2  PHE   2           HE2      PHE   2   9.781  15.154  19.005
   16    HZ   PHE   2           HZ       PHE   2   9.419  13.535  20.854
   17    H    CYS   3           H        CYS   3  17.482  13.684  18.959
   18    HA   CYS   3           HA       CYS   3  18.844  15.858  17.517
   19    HB2  CYS   3           HB2      CYS   3  19.352  12.876  17.908
   20    HB3  CYS   3           HB3      CYS   3  20.291  13.878  16.822
   21    H    ASN   4           H        ASN   4  16.705  16.255  16.248
   22    HA   ASN   4           HA       ASN   4  15.835  14.180  14.495
   23    HB2  ASN   4           HB2      ASN   4  14.702  16.496  15.587
   24    HB3  ASN   4           HB3      ASN   4  14.927  16.971  13.936
   25   HD21  ASN   4          HD21      ASN   4  12.821  14.118  12.809
   26   HD22  ASN   4          HD22      ASN   4  14.455  14.683  12.490
   27    H    LEU   5           H        LEU   5  18.392  15.675  14.147
   28    HA   LEU   5           HA       LEU   5  19.947  16.481  12.691
   29    HB2  LEU   5           HB2      LEU   5  20.144  14.046  13.083
   30    HB3  LEU   5           HB3      LEU   5  19.257  13.751  11.593
   31    HG   LEU   5           HG       LEU   5  21.069  15.011  10.339
   32   HD11  LEU   5          HD11      LEU   5  22.483  14.903  13.043
   33   HD12  LEU   5          HD12      LEU   5  23.271  15.250  11.496
   34   HD13  LEU   5          HD13      LEU   5  22.065  16.371  12.118
   35   HD21  LEU   5          HD21      LEU   5  21.995  12.623  11.986
   36   HD22  LEU   5          HD22      LEU   5  21.013  12.543  10.507
   37   HD23  LEU   5          HD23      LEU   5  22.665  13.165  10.430
   38    H    ARG   6           H        ARG   6  17.639  14.927  10.684
   39    HA   ARG   6           HA       ARG   6  18.087  16.434   8.200
   40    HB2  ARG   6           HB2      ARG   6  15.718  14.797   9.146
   41    HB3  ARG   6           HB3      ARG   6  15.907  15.439   7.509
   42    HG2  ARG   6           HG2      ARG   6  17.879  14.098   7.100
   43    HG3  ARG   6           HG3      ARG   6  17.909  13.503   8.763
   44    HD2  ARG   6           HD2      ARG   6  15.722  12.945   6.723
   45    HD3  ARG   6           HD3      ARG   6  16.968  11.823   7.255
   46    HE   ARG   6           HE       ARG   6  16.020  11.752   9.458
   47   HH11  ARG   6          HH11      ARG   6  13.753  13.242   7.144
   48   HH12  ARG   6          HH12      ARG   6  12.423  12.845   8.220
   49   HH21  ARG   6          HH21      ARG   6  14.407  11.892  10.844
   50   HH22  ARG   6          HH22      ARG   6  12.805  12.384  10.352
   51    H    ARG   7           H        ARG   7  15.618  16.596  10.795
   52    HA   ARG   7           HA       ARG   7  14.572  19.197   9.804
   53    HB2  ARG   7           HB2      ARG   7  13.811  17.377  12.113
   54    HB3  ARG   7           HB3      ARG   7  13.211  19.018  11.983
   55    HG2  ARG   7           HG2      ARG   7  11.528  17.704  11.084
   56    HG3  ARG   7           HG3      ARG   7  12.312  18.435   9.679
   57    HD2  ARG   7           HD2      ARG   7  13.454  16.335   9.166
   58    HD3  ARG   7           HD3      ARG   7  12.920  15.630  10.692
   59    HE   ARG   7           HE       ARG   7  10.676  15.525   9.926
   60   HH11  ARG   7          HH11      ARG   7  12.770  16.657   7.298
   61   HH12  ARG   7          HH12      ARG   7  11.711  16.022   6.079
   62   HH21  ARG   7          HH21      ARG   7   9.354  14.825   8.310
   63   HH22  ARG   7          HH22      ARG   7   9.775  15.109   6.638
   64    H    CYS   8           H        CYS   8  16.808  18.036  12.287
   65    HA   CYS   8           HA       CYS   8  17.022  20.372  13.851
   66    HB2  CYS   8           HB2      CYS   8  18.088  18.324  14.505
   67    HB3  CYS   8           HB3      CYS   8  19.072  18.327  13.044
   68    H    GLU   9           H        GLU   9  18.917  19.442  10.902
   69    HA   GLU   9           HA       GLU   9  20.498  21.734  10.512
   70    HB2  GLU   9           HB2      GLU   9  19.188  19.804   8.564
   71    HB3  GLU   9           HB3      GLU   9  20.359  21.003   8.055
   72    HG2  GLU   9           HG2      GLU   9  21.209  19.204  10.310
   73    HG3  GLU   9           HG3      GLU   9  20.966  18.445   8.741
   74    H    LEU  10           H        LEU  10  17.182  21.131   9.249
   75    HA   LEU  10           HA       LEU  10  16.999  23.644   7.855
   76    HB2  LEU  10           HB2      LEU  10  14.752  21.877   8.881
   77    HB3  LEU  10           HB3      LEU  10  14.609  23.176   7.693
   78    HG   LEU  10           HG       LEU  10  16.126  20.571   7.376
   79   HD11  LEU  10          HD11      LEU  10  13.690  21.712   5.934
   80   HD12  LEU  10          HD12      LEU  10  14.456  20.142   5.605
   81   HD13  LEU  10          HD13      LEU  10  13.660  20.427   7.160
   82   HD21  LEU  10          HD21      LEU  10  15.899  22.918   5.437
   83   HD22  LEU  10          HD22      LEU  10  17.393  22.262   6.146
   84   HD23  LEU  10          HD23      LEU  10  16.479  21.294   4.992
   85    H    SER  11           H        SER  11  16.230  22.751  11.184
   86    HA   SER  11           HA       SER  11  14.970  25.261  11.888
   87    HB2  SER  11           HB2      SER  11  14.840  23.155  13.251
   88    HB3  SER  11           HB3      SER  11  16.530  23.417  13.726
   89    HG   SER  11           HG       SER  11  14.225  24.964  14.274
   90    H    CYS  12           H        CYS  12  18.371  24.091  12.141
   91    HA   CYS  12           HA       CYS  12  19.501  26.477  13.150
   92    HB2  CYS  12           HB2      CYS  12  20.640  24.156  11.563
   93    HB3  CYS  12           HB3      CYS  12  21.632  25.461  12.192
   94    H    ARG  13           H        ARG  13  18.681  25.790   9.743
   95    HA   ARG  13           HA       ARG  13  20.233  27.880   8.561
   96    HB2  ARG  13           HB2      ARG  13  17.439  27.089   7.748
   97    HB3  ARG  13           HB3      ARG  13  18.646  27.888   6.760
   98    HG2  ARG  13           HG2      ARG  13  18.600  25.030   7.669
   99    HG3  ARG  13           HG3      ARG  13  18.484  25.658   6.034
  100    HD2  ARG  13           HD2      ARG  13  20.864  26.447   6.234
  101    HD3  ARG  13           HD3      ARG  13  20.936  25.670   7.819
  102    HE   ARG  13           HE       ARG  13  20.324  24.193   5.271
  103   HH11  ARG  13          HH11      ARG  13  22.134  24.236   8.312
  104   HH12  ARG  13          HH12      ARG  13  22.623  22.568   8.069
  105   HH21  ARG  13          HH21      ARG  13  21.096  22.168   5.059
  106   HH22  ARG  13          HH22      ARG  13  22.424  21.635   6.075
  107    H    SER  14           H        SER  14  17.528  28.210  10.737
  108    HA   SER  14           HA       SER  14  16.596  30.808  10.123
  109    HB2  SER  14           HB2      SER  14  16.218  31.059  12.556
  110    HB3  SER  14           HB3      SER  14  15.596  29.545  11.916
  111    HG   SER  14           HG       SER  14  17.103  28.428  12.913
  112    H    LEU  15           H        LEU  15  19.701  29.874  11.661
  113    HA   LEU  15           HA       LEU  15  20.582  32.726  11.437
  114    HB2  LEU  15           HB2      LEU  15  21.551  30.517  13.268
  115    HB3  LEU  15           HB3      LEU  15  22.238  32.140  13.193
  116    HG   LEU  15           HG       LEU  15  19.384  31.458  14.033
  117   HD11  LEU  15          HD11      LEU  15  21.800  32.306  15.687
  118   HD12  LEU  15          HD12      LEU  15  20.148  32.054  16.294
  119   HD13  LEU  15          HD13      LEU  15  21.067  30.684  15.654
  120   HD21  LEU  15          HD21      LEU  15  19.479  33.730  13.102
  121   HD22  LEU  15          HD22      LEU  15  19.324  33.808  14.856
  122   HD23  LEU  15          HD23      LEU  15  20.905  34.105  14.099
  123    H    GLY  16           H        GLY  16  20.578  30.239   9.506
  124    HA2  GLY  16           HA2      GLY  16  21.829  29.723   7.648
  125    HA3  GLY  16           HA3      GLY  16  23.007  30.955   8.102
  126    H    LEU  17           H        LEU  17  22.192  28.363  10.358
  127    HA   LEU  17           HA       LEU  17  25.028  27.527  10.278
  128    HB2  LEU  17           HB2      LEU  17  22.978  26.901  12.382
  129    HB3  LEU  17           HB3      LEU  17  24.703  26.739  12.538
  130    HG   LEU  17           HG       LEU  17  23.267  29.373  12.188
  131   HD11  LEU  17          HD11      LEU  17  22.525  28.368  14.294
  132   HD12  LEU  17          HD12      LEU  17  24.234  28.188  14.794
  133   HD13  LEU  17          HD13      LEU  17  23.537  29.794  14.560
  134   HD21  LEU  17          HD21      LEU  17  26.004  28.667  13.277
  135   HD22  LEU  17          HD22      LEU  17  25.720  29.317  11.640
  136   HD23  LEU  17          HD23      LEU  17  25.367  30.322  13.060
  137    H    LEU  18           H        LEU  18  25.592  25.414  10.744
  138    HA   LEU  18           HA       LEU  18  24.039  23.216   9.510
  139    HB2  LEU  18           HB2      LEU  18  26.758  23.419  10.827
  140    HB3  LEU  18           HB3      LEU  18  26.066  21.870  10.348
  141    HG   LEU  18           HG       LEU  18  26.443  24.155   8.381
  142   HD11  LEU  18          HD11      LEU  18  28.540  23.035   7.689
  143   HD12  LEU  18          HD12      LEU  18  28.629  23.646   9.346
  144   HD13  LEU  18          HD13      LEU  18  28.383  21.908   9.059
  145   HD21  LEU  18          HD21      LEU  18  24.939  22.341   7.632
  146   HD22  LEU  18          HD22      LEU  18  26.451  22.315   6.718
  147   HD23  LEU  18          HD23      LEU  18  26.184  21.140   8.024
  148    H    GLY  19           H        GLY  19  23.137  21.558  10.643
  149    HA2  GLY  19           HA2      GLY  19  22.712  21.954  13.602
  150    HA3  GLY  19           HA3      GLY  19  21.528  21.243  12.509
  151    H    LYS  20           H        LYS  20  23.388  20.410  14.960
  152    HA   LYS  20           HA       LYS  20  24.099  17.691  13.967
  153    HB2  LYS  20           HB2      LYS  20  25.867  19.576  15.521
  154    HB3  LYS  20           HB3      LYS  20  26.191  17.858  15.238
  155    HG2  LYS  20           HG2      LYS  20  26.013  18.301  12.733
  156    HG3  LYS  20           HG3      LYS  20  25.879  20.026  13.111
  157    HD2  LYS  20           HD2      LYS  20  28.122  19.743  12.635
  158    HD3  LYS  20           HD3      LYS  20  28.002  19.833  14.397
  159    HE2  LYS  20           HE2      LYS  20  29.577  18.115  13.925
  160    HE3  LYS  20           HE3      LYS  20  28.112  17.297  14.467
  161    HZ1  LYS  20           HZ1      LYS  20  28.936  17.649  11.628
  162    HZ2  LYS  20           HZ2      LYS  20  29.131  16.277  12.506
  163    HZ3  LYS  20           HZ3      LYS  20  27.615  16.790  12.129
  164    H    CYS  21           H        CYS  21  24.371  16.106  15.589
  165    HA   CYS  21           HA       CYS  21  22.549  16.406  17.912
  166    HB2  CYS  21           HB2      CYS  21  22.404  14.425  16.408
  167    HB3  CYS  21           HB3      CYS  21  24.052  13.995  16.840
  168    H    ILE  22           H        ILE  22  23.170  16.538  19.984
  169    HA   ILE  22           HA       ILE  22  25.947  15.835  20.772
  170    HB   ILE  22           HB       ILE  22  26.045  17.841  22.213
  171   HG12  ILE  22          HG12      ILE  22  23.799  19.103  20.605
  172   HG13  ILE  22          HG13      ILE  22  23.422  18.183  22.052
  173   HG21  ILE  22          HG21      ILE  22  25.760  18.550  19.270
  174   HG22  ILE  22          HG22      ILE  22  26.702  19.417  20.493
  175   HG23  ILE  22          HG23      ILE  22  27.173  17.780  20.018
  176   HD11  ILE  22          HD11      ILE  22  24.945  19.621  23.393
  177   HD12  ILE  22          HD12      ILE  22  25.242  20.606  21.943
  178   HD13  ILE  22          HD13      ILE  22  23.615  20.517  22.644
  179    H    GLY  23           H        GLY  23  24.144  14.027  21.137
  180    HA2  GLY  23           HA2      GLY  23  23.400  12.563  22.768
  181    HA3  GLY  23           HA3      GLY  23  23.914  13.695  24.020
  182    H    GLU  24           H        GLU  24  21.381  12.770  21.866
  183    HA   GLU  24           HA       GLU  24  19.122  12.860  21.889
  184    HB2  GLU  24           HB2      GLU  24  19.429  13.655  24.807
  185    HB3  GLU  24           HB3      GLU  24  17.920  13.247  24.014
  186    HG2  GLU  24           HG2      GLU  24  18.493  11.258  25.018
  187    HG3  GLU  24           HG3      GLU  24  18.959  11.024  23.344
  188    H    GLU  25           H        GLU  25  20.756  15.756  22.090
  189    HA   GLU  25           HA       GLU  25  18.301  17.271  21.328
  190    HB2  GLU  25           HB2      GLU  25  18.649  17.893  23.547
  191    HB3  GLU  25           HB3      GLU  25  20.403  17.939  23.378
  192    HG2  GLU  25           HG2      GLU  25  20.336  20.002  22.164
  193    HG3  GLU  25           HG3      GLU  25  18.582  19.918  21.989
  194    H    CYS  26           H        CYS  26  18.465  18.741  19.793
  195    HA   CYS  26           HA       CYS  26  20.761  18.700  17.942
  196    HB2  CYS  26           HB2      CYS  26  18.585  18.631  17.007
  197    HB3  CYS  26           HB3      CYS  26  17.989  19.897  18.033
  198    H    LYS  27           H        LYS  27  22.311  20.242  17.812
  199    HA   LYS  27           HA       LYS  27  21.737  22.990  18.751
  200    HB2  LYS  27           HB2      LYS  27  22.900  21.622  20.634
  201    HB3  LYS  27           HB3      LYS  27  24.324  21.662  19.609
  202    HG2  LYS  27           HG2      LYS  27  24.684  23.541  20.939
  203    HG3  LYS  27           HG3      LYS  27  23.902  24.276  19.561
  204    HD2  LYS  27           HD2      LYS  27  22.840  25.244  21.412
  205    HD3  LYS  27           HD3      LYS  27  21.685  23.992  20.915
  206    HE2  LYS  27           HE2      LYS  27  22.536  22.483  22.673
  207    HE3  LYS  27           HE3      LYS  27  23.804  23.642  23.081
  208    HZ1  LYS  27           HZ1      LYS  27  20.890  24.038  23.484
  209    HZ2  LYS  27           HZ2      LYS  27  22.051  23.888  24.642
  210    HZ3  LYS  27           HZ3      LYS  27  21.996  25.226  23.700
  211    H    CYS  28           H        CYS  28  22.574  24.518  17.507
  212    HA   CYS  28           HA       CYS  28  23.703  23.747  14.965
  213    HB2  CYS  28           HB2      CYS  28  23.248  26.506  16.113
  214    HB3  CYS  28           HB3      CYS  28  23.438  26.101  14.414
  215    H    VAL  29           H        VAL  29  25.549  25.078  13.973
  216    HA   VAL  29           HA       VAL  29  27.736  25.625  15.897
  217    HB   VAL  29           HB       VAL  29  29.334  24.235  14.769
  218   HG11  VAL  29          HG11      VAL  29  28.620  22.052  15.491
  219   HG12  VAL  29          HG12      VAL  29  28.093  23.274  16.662
  220   HG13  VAL  29          HG13      VAL  29  26.927  22.556  15.522
  221   HG21  VAL  29          HG21      VAL  29  28.401  24.134  12.480
  222   HG22  VAL  29          HG22      VAL  29  28.718  22.526  13.125
  223   HG23  VAL  29          HG23      VAL  29  27.051  23.139  13.090
  224    HA   PRO  30           HA       PRO  30  28.337  29.046  13.304
  225    HB2  PRO  30           HB2      PRO  30  30.829  29.944  14.025
  226    HB3  PRO  30           HB3      PRO  30  29.412  29.930  15.108
  227    HG2  PRO  30           HG2      PRO  30  31.627  27.869  14.909
  228    HG3  PRO  30           HG3      PRO  30  31.001  28.673  16.383
  229    HD2  PRO  30           HD2      PRO  30  30.147  26.212  15.615
  230    HD3  PRO  30           HD3      PRO  30  29.026  27.394  16.354
  231    H    HIS  31           H        HIS  31  30.207  26.347  12.548
  232    HA   HIS  31           HA       HIS  31  32.166  27.055  10.840
  233    HB2  HIS  31           HB2      HIS  31  30.282  24.669  10.755
  234    HB3  HIS  31           HB3      HIS  31  31.856  24.739   9.962
  235    HD2  HIS  31           HD2      HIS  31  33.792  23.890  11.305
  236    HE1  HIS  31           HE1      HIS  31  32.298  24.203  15.269
  237    HE2  HIS  31           HE2      HIS  31  34.248  23.347  13.847
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  15.363  19.458  22.846
    2    H2   ALA   1           H2       ALA   1  14.681  20.802  22.161
    3    H3   ALA   1           H3       ALA   1  16.246  20.419  21.852
    4    HA   ALA   1           HA       ALA   1  13.904  18.845  21.028
    5    HB1  ALA   1           HB1      ALA   1  15.864  20.496  19.381
    6    HB2  ALA   1           HB2      ALA   1  14.568  19.471  18.729
    7    HB3  ALA   1           HB3      ALA   1  14.158  20.893  19.705
    8    H    PHE   2           H        PHE   2  14.318  16.880  19.992
    9    HA   PHE   2           HA       PHE   2  16.575  15.424  21.049
   10    HB2  PHE   2           HB2      PHE   2  14.484  14.606  19.012
   11    HB3  PHE   2           HB3      PHE   2  15.527  13.527  19.919
   12    HD1  PHE   2           HD1      PHE   2  12.291  14.909  19.832
   13    HD2  PHE   2           HD2      PHE   2  15.424  13.776  22.573
   14    HE1  PHE   2           HE1      PHE   2  10.625  14.710  21.656
   15    HE2  PHE   2           HE2      PHE   2  13.748  13.603  24.401
   16    HZ   PHE   2           HZ       PHE   2  11.350  14.077  23.945
   17    H    CYS   3           H        CYS   3  17.700  13.770  19.459
   18    HA   CYS   3           HA       CYS   3  19.394  15.286  17.668
   19    HB2  CYS   3           HB2      CYS   3  19.301  12.429  18.605
   20    HB3  CYS   3           HB3      CYS   3  20.366  12.927  17.302
   21    H    ASN   4           H        ASN   4  16.946  15.671  16.580
   22    HA   ASN   4           HA       ASN   4  15.967  13.965  14.627
   23    HB2  ASN   4           HB2      ASN   4  16.073  16.960  14.993
   24    HB3  ASN   4           HB3      ASN   4  15.381  16.306  13.519
   25   HD21  ASN   4          HD21      ASN   4  12.398  15.390  15.074
   26   HD22  ASN   4          HD22      ASN   4  13.301  15.503  13.576
   27    H    LEU   5           H        LEU   5  18.290  16.227  14.307
   28    HA   LEU   5           HA       LEU   5  19.991  16.963  13.020
   29    HB2  LEU   5           HB2      LEU   5  20.856  14.781  13.436
   30    HB3  LEU   5           HB3      LEU   5  19.946  14.089  12.118
   31    HG   LEU   5           HG       LEU   5  22.366  14.370  11.780
   32   HD11  LEU   5          HD11      LEU   5  22.334  15.023   9.483
   33   HD12  LEU   5          HD12      LEU   5  20.799  14.208   9.820
   34   HD13  LEU   5          HD13      LEU   5  20.875  15.986   9.681
   35   HD21  LEU   5          HD21      LEU   5  21.837  17.349  11.501
   36   HD22  LEU   5          HD22      LEU   5  22.658  16.566  12.881
   37   HD23  LEU   5          HD23      LEU   5  23.372  16.500  11.266
   38    H    ARG   6           H        ARG   6  17.865  14.982  11.043
   39    HA   ARG   6           HA       ARG   6  18.272  16.522   8.642
   40    HB2  ARG   6           HB2      ARG   6  17.620  14.260   8.376
   41    HB3  ARG   6           HB3      ARG   6  16.231  14.417   9.420
   42    HG2  ARG   6           HG2      ARG   6  15.718  14.162   7.012
   43    HG3  ARG   6           HG3      ARG   6  14.930  15.527   7.777
   44    HD2  ARG   6           HD2      ARG   6  15.882  15.826   5.396
   45    HD3  ARG   6           HD3      ARG   6  16.159  17.104   6.569
   46    HE   ARG   6           HE       ARG   6  18.211  14.975   6.097
   47   HH11  ARG   6          HH11      ARG   6  17.622  18.426   6.583
   48   HH12  ARG   6          HH12      ARG   6  19.354  18.703   6.557
   49   HH21  ARG   6          HH21      ARG   6  20.271  15.508   6.235
   50   HH22  ARG   6          HH22      ARG   6  20.746  17.195   6.413
   51    H    ARG   7           H        ARG   7  15.392  16.399  10.716
   52    HA   ARG   7           HA       ARG   7  14.351  18.922   9.641
   53    HB2  ARG   7           HB2      ARG   7  13.555  17.420  12.163
   54    HB3  ARG   7           HB3      ARG   7  12.670  18.734  11.413
   55    HG2  ARG   7           HG2      ARG   7  13.114  15.932  10.320
   56    HG3  ARG   7           HG3      ARG   7  11.601  16.632  10.842
   57    HD2  ARG   7           HD2      ARG   7  13.182  17.584   8.400
   58    HD3  ARG   7           HD3      ARG   7  11.945  16.337   8.375
   59    HE   ARG   7           HE       ARG   7  11.126  18.948   9.518
   60   HH11  ARG   7          HH11      ARG   7  11.116  17.014   6.567
   61   HH12  ARG   7          HH12      ARG   7   9.527  17.584   6.124
   62   HH21  ARG   7          HH21      ARG   7   9.351  19.820   8.754
   63   HH22  ARG   7          HH22      ARG   7   8.507  19.124   7.365
   64    H    CYS   8           H        CYS   8  16.395  18.169  12.418
   65    HA   CYS   8           HA       CYS   8  16.336  20.666  13.725
   66    HB2  CYS   8           HB2      CYS   8  17.400  18.658  14.650
   67    HB3  CYS   8           HB3      CYS   8  18.618  18.703  13.369
   68    H    GLU   9           H        GLU   9  18.411  19.720  10.911
   69    HA   GLU   9           HA       GLU   9  19.900  22.111  10.663
   70    HB2  GLU   9           HB2      GLU   9  18.935  20.022   8.690
   71    HB3  GLU   9           HB3      GLU   9  19.851  21.428   8.137
   72    HG2  GLU   9           HG2      GLU   9  21.760  20.869   9.445
   73    HG3  GLU   9           HG3      GLU   9  20.896  19.625  10.341
   74    H    LEU  10           H        LEU  10  16.551  21.508   9.588
   75    HA   LEU  10           HA       LEU  10  16.356  23.661   7.726
   76    HB2  LEU  10           HB2      LEU  10  14.174  22.513   9.508
   77    HB3  LEU  10           HB3      LEU  10  13.912  23.490   8.071
   78    HG   LEU  10           HG       LEU  10  15.201  20.729   8.098
   79   HD11  LEU  10          HD11      LEU  10  13.096  19.967   7.097
   80   HD12  LEU  10          HD12      LEU  10  12.809  20.685   8.696
   81   HD13  LEU  10          HD13      LEU  10  12.420  21.605   7.229
   82   HD21  LEU  10          HD21      LEU  10  14.285  22.494   5.780
   83   HD22  LEU  10          HD22      LEU  10  15.964  22.080   6.178
   84   HD23  LEU  10          HD23      LEU  10  14.857  20.816   5.640
   85    H    SER  11           H        SER  11  15.842  23.625  11.227
   86    HA   SER  11           HA       SER  11  15.074  26.428  11.430
   87    HB2  SER  11           HB2      SER  11  15.951  24.453  13.552
   88    HB3  SER  11           HB3      SER  11  15.123  25.994  13.833
   89    HG   SER  11           HG       SER  11  13.351  25.179  12.636
   90    H    CYS  12           H        CYS  12  18.148  24.791  11.308
   91    HA   CYS  12           HA       CYS  12  19.635  26.979  12.618
   92    HB2  CYS  12           HB2      CYS  12  20.534  24.451  11.192
   93    HB3  CYS  12           HB3      CYS  12  21.593  25.579  12.011
   94    H    ARG  13           H        ARG  13  19.054  25.798   9.289
   95    HA   ARG  13           HA       ARG  13  20.820  27.369   7.818
   96    HB2  ARG  13           HB2      ARG  13  17.978  26.459   7.262
   97    HB3  ARG  13           HB3      ARG  13  18.910  27.378   6.069
   98    HG2  ARG  13           HG2      ARG  13  20.601  25.706   5.893
   99    HG3  ARG  13           HG3      ARG  13  20.013  24.842   7.311
  100    HD2  ARG  13           HD2      ARG  13  19.412  23.635   5.317
  101    HD3  ARG  13           HD3      ARG  13  17.956  24.204   6.141
  102    HE   ARG  13           HE       ARG  13  18.292  26.180   4.315
  103   HH11  ARG  13          HH11      ARG  13  18.017  22.683   3.899
  104   HH12  ARG  13          HH12      ARG  13  17.735  22.884   2.172
  105   HH21  ARG  13          HH21      ARG  13  17.796  26.251   2.144
  106   HH22  ARG  13          HH22      ARG  13  17.095  24.810   1.424
  107    H    SER  14           H        SER  14  17.846  28.466   9.337
  108    HA   SER  14           HA       SER  14  17.522  31.015   8.217
  109    HB2  SER  14           HB2      SER  14  16.885  30.079  11.043
  110    HB3  SER  14           HB3      SER  14  16.148  31.449  10.196
  111    HG   SER  14           HG       SER  14  15.203  30.088   8.754
  112    H    LEU  15           H        LEU  15  20.159  30.139  10.321
  113    HA   LEU  15           HA       LEU  15  20.807  33.047  10.624
  114    HB2  LEU  15           HB2      LEU  15  21.303  30.771  12.576
  115    HB3  LEU  15           HB3      LEU  15  21.987  32.386  12.754
  116    HG   LEU  15           HG       LEU  15  19.003  31.791  12.714
  117   HD11  LEU  15          HD11      LEU  15  19.115  32.155  15.141
  118   HD12  LEU  15          HD12      LEU  15  20.132  30.787  14.663
  119   HD13  LEU  15          HD13      LEU  15  20.878  32.352  15.053
  120   HD21  LEU  15          HD21      LEU  15  18.833  34.072  13.708
  121   HD22  LEU  15          HD22      LEU  15  20.575  34.305  13.468
  122   HD23  LEU  15          HD23      LEU  15  19.491  34.124  12.069
  123    H    GLY  16           H        GLY  16  21.565  30.580   8.778
  124    HA2  GLY  16           HA2      GLY  16  23.449  30.282   7.420
  125    HA3  GLY  16           HA3      GLY  16  24.415  31.297   8.482
  126    H    LEU  17           H        LEU  17  22.570  28.597   9.858
  127    HA   LEU  17           HA       LEU  17  25.168  27.295  10.567
  128    HB2  LEU  17           HB2      LEU  17  22.594  27.245  12.131
  129    HB3  LEU  17           HB3      LEU  17  24.166  26.714  12.690
  130    HG   LEU  17           HG       LEU  17  23.301  29.525  12.078
  131   HD11  LEU  17          HD11      LEU  17  23.714  28.332  14.823
  132   HD12  LEU  17          HD12      LEU  17  23.195  29.973  14.421
  133   HD13  LEU  17          HD13      LEU  17  22.127  28.619  14.051
  134   HD21  LEU  17          HD21      LEU  17  25.762  29.177  11.895
  135   HD22  LEU  17          HD22      LEU  17  25.361  30.197  13.290
  136   HD23  LEU  17          HD23      LEU  17  25.741  28.471  13.536
  137    H    LEU  18           H        LEU  18  25.058  25.113  11.168
  138    HA   LEU  18           HA       LEU  18  23.018  23.403   9.806
  139    HB2  LEU  18           HB2      LEU  18  25.964  22.908  10.383
  140    HB3  LEU  18           HB3      LEU  18  24.844  21.598  10.007
  141    HG   LEU  18           HG       LEU  18  25.336  23.948   8.138
  142   HD11  LEU  18          HD11      LEU  18  26.526  21.142   8.098
  143   HD12  LEU  18          HD12      LEU  18  26.730  22.380   6.838
  144   HD13  LEU  18          HD13      LEU  18  27.401  22.649   8.451
  145   HD21  LEU  18          HD21      LEU  18  23.998  21.238   7.717
  146   HD22  LEU  18          HD22      LEU  18  23.192  22.828   7.702
  147   HD23  LEU  18          HD23      LEU  18  24.352  22.418   6.442
  148    H    GLY  19           H        GLY  19  22.425  21.489  10.990
  149    HA2  GLY  19           HA2      GLY  19  22.297  21.907  13.943
  150    HA3  GLY  19           HA3      GLY  19  21.315  20.786  13.001
  151    H    LYS  20           H        LYS  20  23.276  20.524  15.376
  152    HA   LYS  20           HA       LYS  20  24.498  17.970  14.412
  153    HB2  LYS  20           HB2      LYS  20  25.855  20.104  16.097
  154    HB3  LYS  20           HB3      LYS  20  26.450  18.456  15.947
  155    HG2  LYS  20           HG2      LYS  20  26.183  20.417  13.634
  156    HG3  LYS  20           HG3      LYS  20  27.649  20.104  14.570
  157    HD2  LYS  20           HD2      LYS  20  27.530  17.684  13.866
  158    HD3  LYS  20           HD3      LYS  20  26.191  18.123  12.777
  159    HE2  LYS  20           HE2      LYS  20  27.658  19.792  11.653
  160    HE3  LYS  20           HE3      LYS  20  28.954  19.410  12.799
  161    HZ1  LYS  20           HZ1      LYS  20  28.992  17.143  11.894
  162    HZ2  LYS  20           HZ2      LYS  20  27.837  17.511  10.812
  163    HZ3  LYS  20           HZ3      LYS  20  29.305  18.257  10.728
  164    H    CYS  21           H        CYS  21  24.206  16.308  15.686
  165    HA   CYS  21           HA       CYS  21  22.613  16.456  18.141
  166    HB2  CYS  21           HB2      CYS  21  22.294  14.623  16.560
  167    HB3  CYS  21           HB3      CYS  21  24.006  14.230  16.647
  168    H    ILE  22           H        ILE  22  23.290  16.285  20.169
  169    HA   ILE  22           HA       ILE  22  26.058  15.540  20.886
  170    HB   ILE  22           HB       ILE  22  26.045  17.465  22.565
  171   HG12  ILE  22          HG12      ILE  22  24.011  18.672  20.621
  172   HG13  ILE  22          HG13      ILE  22  23.623  18.102  22.244
  173   HG21  ILE  22          HG21      ILE  22  26.292  18.234  19.643
  174   HG22  ILE  22          HG22      ILE  22  27.155  18.939  21.023
  175   HG23  ILE  22          HG23      ILE  22  27.493  17.280  20.544
  176   HD11  ILE  22          HD11      ILE  22  23.904  20.485  22.325
  177   HD12  ILE  22          HD12      ILE  22  25.298  19.760  23.156
  178   HD13  ILE  22          HD13      ILE  22  25.470  20.406  21.507
  179    H    GLY  23           H        GLY  23  24.491  13.690  21.058
  180    HA2  GLY  23           HA2      GLY  23  23.834  12.004  22.474
  181    HA3  GLY  23           HA3      GLY  23  24.342  12.999  23.841
  182    H    GLU  24           H        GLU  24  21.717  12.113  21.749
  183    HA   GLU  24           HA       GLU  24  19.463  12.169  21.905
  184    HB2  GLU  24           HB2      GLU  24  19.692  12.827  24.848
  185    HB3  GLU  24           HB3      GLU  24  18.347  12.067  24.006
  186    HG2  GLU  24           HG2      GLU  24  19.801  10.111  23.478
  187    HG3  GLU  24           HG3      GLU  24  21.103  10.834  24.431
  188    H    GLU  25           H        GLU  25  21.102  14.965  21.979
  189    HA   GLU  25           HA       GLU  25  18.662  16.623  21.725
  190    HB2  GLU  25           HB2      GLU  25  19.476  16.889  24.012
  191    HB3  GLU  25           HB3      GLU  25  21.088  17.312  23.429
  192    HG2  GLU  25           HG2      GLU  25  20.296  19.397  22.505
  193    HG3  GLU  25           HG3      GLU  25  18.605  18.918  22.713
  194    H    CYS  26           H        CYS  26  18.776  18.244  20.160
  195    HA   CYS  26           HA       CYS  26  21.325  18.447  18.610
  196    HB2  CYS  26           HB2      CYS  26  19.413  17.339  17.453
  197    HB3  CYS  26           HB3      CYS  26  18.530  18.856  17.530
  198    H    LYS  27           H        LYS  27  22.074  20.369  17.969
  199    HA   LYS  27           HA       LYS  27  20.780  22.952  18.552
  200    HB2  LYS  27           HB2      LYS  27  22.907  21.725  20.265
  201    HB3  LYS  27           HB3      LYS  27  23.236  23.373  19.757
  202    HG2  LYS  27           HG2      LYS  27  21.385  24.274  20.856
  203    HG3  LYS  27           HG3      LYS  27  20.515  22.750  20.901
  204    HD2  LYS  27           HD2      LYS  27  21.241  23.381  23.115
  205    HD3  LYS  27           HD3      LYS  27  21.968  21.856  22.620
  206    HE2  LYS  27           HE2      LYS  27  24.103  22.987  22.130
  207    HE3  LYS  27           HE3      LYS  27  23.380  24.559  22.491
  208    HZ1  LYS  27           HZ1      LYS  27  23.095  23.875  24.783
  209    HZ2  LYS  27           HZ2      LYS  27  23.661  22.364  24.480
  210    HZ3  LYS  27           HZ3      LYS  27  24.669  23.660  24.357
  211    H    CYS  28           H        CYS  28  22.003  24.771  17.605
  212    HA   CYS  28           HA       CYS  28  23.030  23.900  15.020
  213    HB2  CYS  28           HB2      CYS  28  22.468  26.671  16.082
  214    HB3  CYS  28           HB3      CYS  28  22.824  26.266  14.411
  215    H    VAL  29           H        VAL  29  24.863  24.907  13.941
  216    HA   VAL  29           HA       VAL  29  27.047  25.919  15.639
  217    HB   VAL  29           HB       VAL  29  28.695  24.382  14.867
  218   HG11  VAL  29          HG11      VAL  29  27.501  23.792  16.952
  219   HG12  VAL  29          HG12      VAL  29  26.408  22.750  16.013
  220   HG13  VAL  29          HG13      VAL  29  28.138  22.382  16.098
  221   HG21  VAL  29          HG21      VAL  29  26.511  22.831  13.437
  222   HG22  VAL  29          HG22      VAL  29  27.871  23.681  12.673
  223   HG23  VAL  29          HG23      VAL  29  28.184  22.280  13.682
  224    HA   PRO  30           HA       PRO  30  27.851  28.180  11.841
  225    HB2  PRO  30           HB2      PRO  30  30.055  29.563  12.515
  226    HB3  PRO  30           HB3      PRO  30  28.529  29.778  13.433
  227    HG2  PRO  30           HG2      PRO  30  30.878  28.003  14.174
  228    HG3  PRO  30           HG3      PRO  30  30.063  29.239  15.192
  229    HD2  PRO  30           HD2      PRO  30  29.409  26.565  15.265
  230    HD3  PRO  30           HD3      PRO  30  28.206  27.854  15.544
  231    H    HIS  31           H        HIS  31  29.628  25.550  12.859
  232    HA   HIS  31           HA       HIS  31  31.986  25.684  11.225
  233    HB2  HIS  31           HB2      HIS  31  30.731  23.224  12.449
  234    HB3  HIS  31           HB3      HIS  31  32.418  23.447  11.998
  235    HD2  HIS  31           HD2      HIS  31  30.759  22.963  14.995
  236    HE1  HIS  31           HE1      HIS  31  33.135  26.333  16.067
  237    HE2  HIS  31           HE2      HIS  31  31.712  24.416  16.974
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1  12.580  12.746  24.204
    2    H2   ALA   1           H2       ALA   1  11.970  12.464  22.690
    3    H3   ALA   1           H3       ALA   1  11.210  13.501  23.693
    4    HA   ALA   1           HA       ALA   1  12.395  14.718  22.030
    5    HB1  ALA   1           HB1      ALA   1  13.487  14.989  24.860
    6    HB2  ALA   1           HB2      ALA   1  13.669  16.195  23.577
    7    HB3  ALA   1           HB3      ALA   1  12.059  15.802  24.173
    8    H    PHE   2           H        PHE   2  13.514  13.343  20.555
    9    HA   PHE   2           HA       PHE   2  16.414  12.969  21.176
   10    HB2  PHE   2           HB2      PHE   2  14.635  11.163  19.512
   11    HB3  PHE   2           HB3      PHE   2  16.319  10.910  19.905
   12    HD1  PHE   2           HD1      PHE   2  16.903  10.904  22.524
   13    HD2  PHE   2           HD2      PHE   2  13.041  10.000  20.839
   14    HE1  PHE   2           HE1      PHE   2  16.285   9.680  24.592
   15    HE2  PHE   2           HE2      PHE   2  12.418   8.792  22.912
   16    HZ   PHE   2           HZ       PHE   2  14.038   8.631  24.793
   17    H    CYS   3           H        CYS   3  17.699  12.653  19.028
   18    HA   CYS   3           HA       CYS   3  17.554  15.234  17.785
   19    HB2  CYS   3           HB2      CYS   3  19.297  12.784  17.443
   20    HB3  CYS   3           HB3      CYS   3  19.536  14.235  16.483
   21    H    ASN   4           H        ASN   4  16.306  15.853  16.136
   22    HA   ASN   4           HA       ASN   4  15.079  14.141  14.169
   23    HB2  ASN   4           HB2      ASN   4  15.589  17.148  14.334
   24    HB3  ASN   4           HB3      ASN   4  14.726  16.378  13.006
   25   HD21  ASN   4          HD21      ASN   4  11.732  15.973  14.745
   26   HD22  ASN   4          HD22      ASN   4  12.734  15.139  13.553
   27    H    LEU   5           H        LEU   5  17.638  16.111  14.263
   28    HA   LEU   5           HA       LEU   5  19.539  16.749  13.268
   29    HB2  LEU   5           HB2      LEU   5  20.077  14.432  13.538
   30    HB3  LEU   5           HB3      LEU   5  19.314  14.022  12.024
   31    HG   LEU   5           HG       LEU   5  21.769  14.056  12.045
   32   HD11  LEU   5          HD11      LEU   5  22.117  14.915   9.881
   33   HD12  LEU   5          HD12      LEU   5  20.431  14.404   9.913
   34   HD13  LEU   5          HD13      LEU   5  20.856  16.131  10.033
   35   HD21  LEU   5          HD21      LEU   5  22.087  16.023  13.522
   36   HD22  LEU   5          HD22      LEU   5  23.071  16.069  12.059
   37   HD23  LEU   5          HD23      LEU   5  21.626  17.086  12.166
   38    H    ARG   6           H        ARG   6  17.299  15.426  10.846
   39    HA   ARG   6           HA       ARG   6  18.293  17.291   8.780
   40    HB2  ARG   6           HB2      ARG   6  17.444  15.079   8.144
   41    HB3  ARG   6           HB3      ARG   6  15.851  15.489   8.749
   42    HG2  ARG   6           HG2      ARG   6  15.637  15.734   6.466
   43    HG3  ARG   6           HG3      ARG   6  15.820  17.399   6.993
   44    HD2  ARG   6           HD2      ARG   6  18.085  15.662   5.909
   45    HD3  ARG   6           HD3      ARG   6  17.085  16.684   4.897
   46    HE   ARG   6           HE       ARG   6  19.200  17.537   6.783
   47   HH11  ARG   6          HH11      ARG   6  20.189  19.339   6.391
   48   HH12  ARG   6          HH12      ARG   6  19.591  20.502   5.216
   49   HH21  ARG   6          HH21      ARG   6  16.772  18.683   4.435
   50   HH22  ARG   6          HH22      ARG   6  17.837  19.989   4.006
   51    H    ARG   7           H        ARG   7  15.073  17.057  10.409
   52    HA   ARG   7           HA       ARG   7  14.324  19.768   9.812
   53    HB2  ARG   7           HB2      ARG   7  13.456  17.899  12.042
   54    HB3  ARG   7           HB3      ARG   7  12.729  19.487  11.770
   55    HG2  ARG   7           HG2      ARG   7  11.856  18.898   9.662
   56    HG3  ARG   7           HG3      ARG   7  12.939  17.527   9.464
   57    HD2  ARG   7           HD2      ARG   7  11.764  16.346  11.339
   58    HD3  ARG   7           HD3      ARG   7  10.580  17.654  11.379
   59    HE   ARG   7           HE       ARG   7  10.993  15.613   9.252
   60   HH11  ARG   7          HH11      ARG   7   9.248  18.551  10.109
   61   HH12  ARG   7          HH12      ARG   7   8.325  18.521   8.631
   62   HH21  ARG   7          HH21      ARG   7   9.546  15.504   7.527
   63   HH22  ARG   7          HH22      ARG   7   8.352  16.774   7.366
   64    H    CYS   8           H        CYS   8  16.305  18.548  12.490
   65    HA   CYS   8           HA       CYS   8  16.724  21.060  13.774
   66    HB2  CYS   8           HB2      CYS   8  17.505  18.905  14.676
   67    HB3  CYS   8           HB3      CYS   8  18.683  18.798  13.367
   68    H    GLU   9           H        GLU   9  18.730  19.709  11.023
   69    HA   GLU   9           HA       GLU   9  20.338  22.026  10.630
   70    HB2  GLU   9           HB2      GLU   9  19.432  19.785   8.794
   71    HB3  GLU   9           HB3      GLU   9  20.470  21.090   8.226
   72    HG2  GLU   9           HG2      GLU   9  22.224  20.503   9.769
   73    HG3  GLU   9           HG3      GLU   9  21.239  19.251  10.521
   74    H    LEU  10           H        LEU  10  17.111  21.271   9.287
   75    HA   LEU  10           HA       LEU  10  16.953  23.538   7.515
   76    HB2  LEU  10           HB2      LEU  10  14.774  21.964   8.956
   77    HB3  LEU  10           HB3      LEU  10  14.465  23.163   7.707
   78    HG   LEU  10           HG       LEU  10  16.065  20.616   7.309
   79   HD11  LEU  10          HD11      LEU  10  13.651  20.193   7.738
   80   HD12  LEU  10          HD12      LEU  10  13.240  21.292   6.409
   81   HD13  LEU  10          HD13      LEU  10  14.127  19.787   6.087
   82   HD21  LEU  10          HD21      LEU  10  15.075  22.756   5.364
   83   HD22  LEU  10          HD22      LEU  10  16.765  22.297   5.682
   84   HD23  LEU  10          HD23      LEU  10  15.676  21.174   4.854
   85    H    SER  11           H        SER  11  15.815  23.139  10.907
   86    HA   SER  11           HA       SER  11  14.930  25.874  11.142
   87    HB2  SER  11           HB2      SER  11  15.819  23.985  13.351
   88    HB3  SER  11           HB3      SER  11  14.916  25.497  13.557
   89    HG   SER  11           HG       SER  11  13.507  24.217  11.808
   90    H    CYS  12           H        CYS  12  18.109  24.357  11.934
   91    HA   CYS  12           HA       CYS  12  19.353  26.668  13.007
   92    HB2  CYS  12           HB2      CYS  12  20.447  24.295  11.461
   93    HB3  CYS  12           HB3      CYS  12  21.466  25.523  12.172
   94    H    ARG  13           H        ARG  13  18.770  25.850   9.592
   95    HA   ARG  13           HA       ARG  13  20.541  27.720   8.420
   96    HB2  ARG  13           HB2      ARG  13  19.068  25.825   7.347
   97    HB3  ARG  13           HB3      ARG  13  17.845  27.089   7.208
   98    HG2  ARG  13           HG2      ARG  13  19.646  28.509   6.019
   99    HG3  ARG  13           HG3      ARG  13  20.652  27.068   5.981
  100    HD2  ARG  13           HD2      ARG  13  17.850  27.280   4.840
  101    HD3  ARG  13           HD3      ARG  13  19.325  27.588   3.908
  102    HE   ARG  13           HE       ARG  13  19.610  25.004   4.988
  103   HH11  ARG  13          HH11      ARG  13  17.384  26.658   2.764
  104   HH12  ARG  13          HH12      ARG  13  17.132  25.159   1.863
  105   HH21  ARG  13          HH21      ARG  13  19.208  23.197   3.626
  106   HH22  ARG  13          HH22      ARG  13  18.036  23.395   2.321
  107    H    SER  14           H        SER  14  17.589  28.452  10.172
  108    HA   SER  14           HA       SER  14  16.966  30.962   8.977
  109    HB2  SER  14           HB2      SER  14  15.518  29.913  10.647
  110    HB3  SER  14           HB3      SER  14  16.765  30.142  11.891
  111    HG   SER  14           HG       SER  14  15.756  31.914  12.224
  112    H    LEU  15           H        LEU  15  19.645  30.120  11.111
  113    HA   LEU  15           HA       LEU  15  20.696  32.915  10.906
  114    HB2  LEU  15           HB2      LEU  15  21.325  30.812  12.996
  115    HB3  LEU  15           HB3      LEU  15  21.975  32.454  12.945
  116    HG   LEU  15           HG       LEU  15  19.047  31.707  13.370
  117   HD11  LEU  15          HD11      LEU  15  20.473  31.073  15.272
  118   HD12  LEU  15          HD12      LEU  15  21.148  32.720  15.330
  119   HD13  LEU  15          HD13      LEU  15  19.428  32.437  15.690
  120   HD21  LEU  15          HD21      LEU  15  18.757  34.066  14.041
  121   HD22  LEU  15          HD22      LEU  15  20.437  34.411  13.581
  122   HD23  LEU  15          HD23      LEU  15  19.243  33.943  12.345
  123    H    GLY  16           H        GLY  16  20.806  30.621   8.990
  124    HA2  GLY  16           HA2      GLY  16  22.258  29.893   7.371
  125    HA3  GLY  16           HA3      GLY  16  23.537  30.858   8.107
  126    H    LEU  17           H        LEU  17  22.614  28.981  10.598
  127    HA   LEU  17           HA       LEU  17  25.072  27.535  10.581
  128    HB2  LEU  17           HB2      LEU  17  22.791  26.969  12.459
  129    HB3  LEU  17           HB3      LEU  17  24.491  26.863  12.807
  130    HG   LEU  17           HG       LEU  17  22.998  29.441  12.319
  131   HD11  LEU  17          HD11      LEU  17  22.890  29.863  14.677
  132   HD12  LEU  17          HD12      LEU  17  22.011  28.380  14.287
  133   HD13  LEU  17          HD13      LEU  17  23.639  28.310  15.037
  134   HD21  LEU  17          HD21      LEU  17  25.539  28.921  13.844
  135   HD22  LEU  17          HD22      LEU  17  25.537  29.438  12.136
  136   HD23  LEU  17          HD23      LEU  17  24.890  30.514  13.400
  137    H    LEU  18           H        LEU  18  25.353  25.279  11.022
  138    HA   LEU  18           HA       LEU  18  23.274  23.436   9.889
  139    HB2  LEU  18           HB2      LEU  18  26.265  23.072  10.277
  140    HB3  LEU  18           HB3      LEU  18  25.171  21.710  10.046
  141    HG   LEU  18           HG       LEU  18  25.606  23.957   8.045
  142   HD11  LEU  18          HD11      LEU  18  27.514  22.359   8.283
  143   HD12  LEU  18          HD12      LEU  18  26.404  21.002   7.989
  144   HD13  LEU  18          HD13      LEU  18  26.714  22.203   6.719
  145   HD21  LEU  18          HD21      LEU  18  23.927  21.409   7.849
  146   HD22  LEU  18          HD22      LEU  18  23.324  23.088   7.781
  147   HD23  LEU  18          HD23      LEU  18  24.338  22.468   6.488
  148    H    GLY  19           H        GLY  19  22.755  21.577  11.045
  149    HA2  GLY  19           HA2      GLY  19  22.850  21.872  14.016
  150    HA3  GLY  19           HA3      GLY  19  21.639  20.970  13.113
  151    H    LYS  20           H        LYS  20  23.702  20.274  15.286
  152    HA   LYS  20           HA       LYS  20  24.350  17.605  14.136
  153    HB2  LYS  20           HB2      LYS  20  26.368  19.367  15.606
  154    HB3  LYS  20           HB3      LYS  20  26.505  17.623  15.449
  155    HG2  LYS  20           HG2      LYS  20  27.787  18.159  13.678
  156    HG3  LYS  20           HG3      LYS  20  26.243  18.091  12.856
  157    HD2  LYS  20           HD2      LYS  20  26.102  20.630  13.132
  158    HD3  LYS  20           HD3      LYS  20  27.743  20.602  13.767
  159    HE2  LYS  20           HE2      LYS  20  27.080  19.293  11.110
  160    HE3  LYS  20           HE3      LYS  20  27.255  21.045  11.182
  161    HZ1  LYS  20           HZ1      LYS  20  29.277  19.580  10.635
  162    HZ2  LYS  20           HZ2      LYS  20  29.499  20.886  11.582
  163    HZ3  LYS  20           HZ3      LYS  20  29.431  19.403  12.286
  164    H    CYS  21           H        CYS  21  24.075  15.929  15.525
  165    HA   CYS  21           HA       CYS  21  22.523  16.417  17.972
  166    HB2  CYS  21           HB2      CYS  21  22.067  14.533  16.355
  167    HB3  CYS  21           HB3      CYS  21  23.600  13.827  16.870
  168    H    ILE  22           H        ILE  22  23.361  16.604  20.004
  169    HA   ILE  22           HA       ILE  22  25.880  15.162  20.633
  170    HB   ILE  22           HB       ILE  22  25.464  18.016  21.567
  171   HG12  ILE  22          HG12      ILE  22  27.267  17.161  19.264
  172   HG13  ILE  22          HG13      ILE  22  25.787  18.113  19.112
  173   HG21  ILE  22          HG21      ILE  22  27.773  17.814  22.324
  174   HG22  ILE  22          HG22      ILE  22  26.881  16.430  22.936
  175   HG23  ILE  22          HG23      ILE  22  27.944  16.238  21.530
  176   HD11  ILE  22          HD11      ILE  22  27.616  19.624  18.984
  177   HD12  ILE  22          HD12      ILE  22  26.794  19.901  20.532
  178   HD13  ILE  22          HD13      ILE  22  28.339  19.013  20.477
  179    H    GLY  23           H        GLY  23  25.338  13.802  22.237
  180    HA2  GLY  23           HA2      GLY  23  24.409  12.990  24.200
  181    HA3  GLY  23           HA3      GLY  23  24.242  14.678  24.722
  182    H    GLU  24           H        GLU  24  22.694  12.883  22.046
  183    HA   GLU  24           HA       GLU  24  20.565  12.693  21.333
  184    HB2  GLU  24           HB2      GLU  24  19.685  12.615  24.221
  185    HB3  GLU  24           HB3      GLU  24  18.909  11.882  22.825
  186    HG2  GLU  24           HG2      GLU  24  21.460  11.035  24.231
  187    HG3  GLU  24           HG3      GLU  24  19.945  10.143  24.088
  188    H    GLU  25           H        GLU  25  21.481  15.572  22.327
  189    HA   GLU  25           HA       GLU  25  18.902  16.770  21.442
  190    HB2  GLU  25           HB2      GLU  25  19.300  17.296  23.838
  191    HB3  GLU  25           HB3      GLU  25  20.855  18.019  23.367
  192    HG2  GLU  25           HG2      GLU  25  19.489  19.575  21.826
  193    HG3  GLU  25           HG3      GLU  25  18.055  18.978  22.650
  194    H    CYS  26           H        CYS  26  19.033  17.623  19.517
  195    HA   CYS  26           HA       CYS  26  21.603  18.180  18.272
  196    HB2  CYS  26           HB2      CYS  26  19.624  17.213  17.079
  197    HB3  CYS  26           HB3      CYS  26  18.823  18.775  17.261
  198    H    LYS  27           H        LYS  27  22.635  20.009  18.039
  199    HA   LYS  27           HA       LYS  27  21.368  22.615  18.769
  200    HB2  LYS  27           HB2      LYS  27  24.032  21.508  19.754
  201    HB3  LYS  27           HB3      LYS  27  23.759  23.233  19.567
  202    HG2  LYS  27           HG2      LYS  27  23.241  23.016  21.767
  203    HG3  LYS  27           HG3      LYS  27  21.654  22.911  21.034
  204    HD2  LYS  27           HD2      LYS  27  21.761  21.278  22.755
  205    HD3  LYS  27           HD3      LYS  27  21.830  20.385  21.230
  206    HE2  LYS  27           HE2      LYS  27  24.323  20.233  21.491
  207    HE3  LYS  27           HE3      LYS  27  24.189  21.102  23.025
  208    HZ1  LYS  27           HZ1      LYS  27  22.806  19.230  23.855
  209    HZ2  LYS  27           HZ2      LYS  27  23.050  18.406  22.444
  210    HZ3  LYS  27           HZ3      LYS  27  24.287  18.749  23.452
  211    H    CYS  28           H        CYS  28  22.234  24.410  17.712
  212    HA   CYS  28           HA       CYS  28  23.341  23.866  15.033
  213    HB2  CYS  28           HB2      CYS  28  22.677  26.499  16.354
  214    HB3  CYS  28           HB3      CYS  28  23.009  26.231  14.646
  215    H    VAL  29           H        VAL  29  25.259  25.151  14.262
  216    HA   VAL  29           HA       VAL  29  27.253  25.631  16.433
  217    HB   VAL  29           HB       VAL  29  29.009  24.515  15.310
  218   HG11  VAL  29          HG11      VAL  29  27.539  23.212  16.852
  219   HG12  VAL  29          HG12      VAL  29  26.651  22.595  15.447
  220   HG13  VAL  29          HG13      VAL  29  28.375  22.219  15.654
  221   HG21  VAL  29          HG21      VAL  29  27.020  23.682  13.157
  222   HG22  VAL  29          HG22      VAL  29  28.444  24.729  12.951
  223   HG23  VAL  29          HG23      VAL  29  28.663  23.032  13.357
  224    HA   PRO  30           HA       PRO  30  27.560  29.460  14.473
  225    HB2  PRO  30           HB2      PRO  30  29.841  30.525  15.483
  226    HB3  PRO  30           HB3      PRO  30  28.439  30.107  16.501
  227    HG2  PRO  30           HG2      PRO  30  30.909  28.416  15.973
  228    HG3  PRO  30           HG3      PRO  30  30.203  28.891  17.556
  229    HD2  PRO  30           HD2      PRO  30  29.622  26.500  16.394
  230    HD3  PRO  30           HD3      PRO  30  28.369  27.413  17.274
  231    H    HIS  31           H        HIS  31  29.878  27.112  13.572
  232    HA   HIS  31           HA       HIS  31  31.722  28.408  12.021
  233    HB2  HIS  31           HB2      HIS  31  30.486  25.662  11.627
  234    HB3  HIS  31           HB3      HIS  31  32.011  26.215  10.938
  235    HD2  HIS  31           HD2      HIS  31  34.074  26.632  12.553
  236    HE1  HIS  31           HE1      HIS  31  32.373  25.067  16.128
  237    HE2  HIS  31           HE2      HIS  31  34.549  25.870  15.014
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1  12.279  10.627  22.658
    2    H2   ALA   1           H2       ALA   1  10.888  11.157  23.351
    3    H3   ALA   1           H3       ALA   1  12.321  11.466  24.096
    4    HA   ALA   1           HA       ALA   1  11.604  12.478  21.429
    5    HB1  ALA   1           HB1      ALA   1  10.081  13.439  23.085
    6    HB2  ALA   1           HB2      ALA   1  11.445  13.931  24.104
    7    HB3  ALA   1           HB3      ALA   1  11.211  14.663  22.506
    8    H    PHE   2           H        PHE   2  13.455  12.764  20.334
    9    HA   PHE   2           HA       PHE   2  15.942  13.610  21.756
   10    HB2  PHE   2           HB2      PHE   2  15.701  11.218  19.900
   11    HB3  PHE   2           HB3      PHE   2  17.160  11.772  20.721
   12    HD1  PHE   2           HD1      PHE   2  17.079  11.887  23.335
   13    HD2  PHE   2           HD2      PHE   2  14.401   9.518  20.927
   14    HE1  PHE   2           HE1      PHE   2  16.675  10.376  25.268
   15    HE2  PHE   2           HE2      PHE   2  13.962   8.048  22.885
   16    HZ   PHE   2           HZ       PHE   2  15.105   8.461  25.044
   17    H    CYS   3           H        CYS   3  17.541  13.021  19.367
   18    HA   CYS   3           HA       CYS   3  17.402  15.599  18.115
   19    HB2  CYS   3           HB2      CYS   3  18.987  13.049  17.631
   20    HB3  CYS   3           HB3      CYS   3  19.240  14.519  16.688
   21    H    ASN   4           H        ASN   4  16.132  16.232  16.460
   22    HA   ASN   4           HA       ASN   4  14.789  14.489  14.605
   23    HB2  ASN   4           HB2      ASN   4  15.420  17.462  14.638
   24    HB3  ASN   4           HB3      ASN   4  14.542  16.693  13.329
   25   HD21  ASN   4          HD21      ASN   4  11.530  16.565  15.054
   26   HD22  ASN   4          HD22      ASN   4  12.418  16.012  13.640
   27    H    LEU   5           H        LEU   5  17.428  16.376  14.480
   28    HA   LEU   5           HA       LEU   5  19.345  16.832  13.352
   29    HB2  LEU   5           HB2      LEU   5  19.955  14.598  13.854
   30    HB3  LEU   5           HB3      LEU   5  19.021  13.975  12.504
   31    HG   LEU   5           HG       LEU   5  20.582  15.071  10.896
   32   HD11  LEU   5          HD11      LEU   5  22.739  15.993  11.768
   33   HD12  LEU   5          HD12      LEU   5  21.360  16.992  12.221
   34   HD13  LEU   5          HD13      LEU   5  22.095  15.891  13.418
   35   HD21  LEU   5          HD21      LEU   5  21.995  13.379  13.005
   36   HD22  LEU   5          HD22      LEU   5  21.011  12.759  11.660
   37   HD23  LEU   5          HD23      LEU   5  22.521  13.622  11.326
   38    H    ARG   6           H        ARG   6  17.013  15.207  11.223
   39    HA   ARG   6           HA       ARG   6  18.031  16.611   8.839
   40    HB2  ARG   6           HB2      ARG   6  15.588  14.828   9.204
   41    HB3  ARG   6           HB3      ARG   6  16.102  15.525   7.668
   42    HG2  ARG   6           HG2      ARG   6  18.279  14.368   7.843
   43    HG3  ARG   6           HG3      ARG   6  17.795  13.642   9.378
   44    HD2  ARG   6           HD2      ARG   6  16.346  13.255   6.729
   45    HD3  ARG   6           HD3      ARG   6  17.544  12.119   7.401
   46    HE   ARG   6           HE       ARG   6  15.834  12.200   9.454
   47   HH11  ARG   6          HH11      ARG   6  15.095  11.695   6.060
   48   HH12  ARG   6          HH12      ARG   6  13.616  10.827   6.462
   49   HH21  ARG   6          HH21      ARG   6  13.894  11.230   9.864
   50   HH22  ARG   6          HH22      ARG   6  12.861  10.821   8.545
   51    H    ARG   7           H        ARG   7  15.134  17.040  10.837
   52    HA   ARG   7           HA       ARG   7  14.420  19.575   9.545
   53    HB2  ARG   7           HB2      ARG   7  12.854  17.896  10.778
   54    HB3  ARG   7           HB3      ARG   7  13.453  18.640  12.267
   55    HG2  ARG   7           HG2      ARG   7  12.739  20.900  11.202
   56    HG3  ARG   7           HG3      ARG   7  11.915  19.935   9.974
   57    HD2  ARG   7           HD2      ARG   7  11.392  19.963  12.974
   58    HD3  ARG   7           HD3      ARG   7  10.350  20.625  11.712
   59    HE   ARG   7           HE       ARG   7  10.726  17.824  11.206
   60   HH11  ARG   7          HH11      ARG   7   9.022  19.848  13.576
   61   HH12  ARG   7          HH12      ARG   7   7.924  18.509  13.915
   62   HH21  ARG   7          HH21      ARG   7   9.303  16.305  11.769
   63   HH22  ARG   7          HH22      ARG   7   8.023  16.679  12.944
   64    H    CYS   8           H        CYS   8  16.131  18.630  12.535
   65    HA   CYS   8           HA       CYS   8  16.650  21.146  13.648
   66    HB2  CYS   8           HB2      CYS   8  17.335  19.054  14.692
   67    HB3  CYS   8           HB3      CYS   8  18.464  18.745  13.386
   68    H    GLU   9           H        GLU   9  18.606  19.593  11.008
   69    HA   GLU   9           HA       GLU   9  20.370  21.723  10.492
   70    HB2  GLU   9           HB2      GLU   9  19.130  19.531   8.812
   71    HB3  GLU   9           HB3      GLU   9  20.160  20.718   8.042
   72    HG2  GLU   9           HG2      GLU   9  21.144  19.183  10.470
   73    HG3  GLU   9           HG3      GLU   9  21.198  18.488   8.846
   74    H    LEU  10           H        LEU  10  16.982  21.399   9.343
   75    HA   LEU  10           HA       LEU  10  17.102  23.709   7.573
   76    HB2  LEU  10           HB2      LEU  10  14.669  22.386   8.849
   77    HB3  LEU  10           HB3      LEU  10  14.658  23.511   7.507
   78    HG   LEU  10           HG       LEU  10  15.858  20.724   7.449
   79   HD11  LEU  10          HD11      LEU  10  13.380  20.760   7.570
   80   HD12  LEU  10          HD12      LEU  10  13.332  21.833   6.156
   81   HD13  LEU  10          HD13      LEU  10  13.956  20.177   6.003
   82   HD21  LEU  10          HD21      LEU  10  15.980  21.093   4.991
   83   HD22  LEU  10          HD22      LEU  10  15.509  22.788   5.234
   84   HD23  LEU  10          HD23      LEU  10  17.050  22.175   5.889
   85    H    SER  11           H        SER  11  16.043  23.216  10.958
   86    HA   SER  11           HA       SER  11  15.152  25.916  11.384
   87    HB2  SER  11           HB2      SER  11  14.654  23.872  12.799
   88    HB3  SER  11           HB3      SER  11  16.282  24.030  13.479
   89    HG   SER  11           HG       SER  11  14.044  25.757  13.673
   90    H    CYS  12           H        CYS  12  18.354  24.362  11.884
   91    HA   CYS  12           HA       CYS  12  19.726  26.713  12.784
   92    HB2  CYS  12           HB2      CYS  12  20.717  24.248  11.291
   93    HB3  CYS  12           HB3      CYS  12  21.748  25.435  12.054
   94    H    ARG  13           H        ARG  13  19.044  25.511   9.484
   95    HA   ARG  13           HA       ARG  13  20.652  27.368   8.050
   96    HB2  ARG  13           HB2      ARG  13  19.403  25.248   7.301
   97    HB3  ARG  13           HB3      ARG  13  17.997  26.287   7.040
   98    HG2  ARG  13           HG2      ARG  13  19.238  27.600   5.396
   99    HG3  ARG  13           HG3      ARG  13  20.748  26.793   5.799
  100    HD2  ARG  13           HD2      ARG  13  18.285  25.434   4.624
  101    HD3  ARG  13           HD3      ARG  13  19.742  25.933   3.689
  102    HE   ARG  13           HE       ARG  13  20.832  24.320   5.555
  103   HH11  ARG  13          HH11      ARG  13  18.266  23.745   3.255
  104   HH12  ARG  13          HH12      ARG  13  18.430  22.013   3.434
  105   HH21  ARG  13          HH21      ARG  13  20.821  22.141   5.917
  106   HH22  ARG  13          HH22      ARG  13  19.761  21.136   4.945
  107    H    SER  14           H        SER  14  17.533  27.903   9.635
  108    HA   SER  14           HA       SER  14  16.885  30.400   8.408
  109    HB2  SER  14           HB2      SER  14  16.334  29.581  11.277
  110    HB3  SER  14           HB3      SER  14  15.446  30.769  10.313
  111    HG   SER  14           HG       SER  14  15.142  28.814   8.826
  112    H    LEU  15           H        LEU  15  19.572  29.690  10.452
  113    HA   LEU  15           HA       LEU  15  19.996  32.568  11.126
  114    HB2  LEU  15           HB2      LEU  15  20.621  30.027  12.663
  115    HB3  LEU  15           HB3      LEU  15  21.096  31.647  13.181
  116    HG   LEU  15           HG       LEU  15  18.197  30.744  12.828
  117   HD11  LEU  15          HD11      LEU  15  19.268  29.395  14.541
  118   HD12  LEU  15          HD12      LEU  15  19.931  30.852  15.316
  119   HD13  LEU  15          HD13      LEU  15  18.174  30.568  15.286
  120   HD21  LEU  15          HD21      LEU  15  17.698  32.707  14.235
  121   HD22  LEU  15          HD22      LEU  15  19.421  33.143  14.262
  122   HD23  LEU  15          HD23      LEU  15  18.499  33.201  12.741
  123    H    GLY  16           H        GLY  16  21.031  30.362   8.965
  124    HA2  GLY  16           HA2      GLY  16  22.973  30.107   7.745
  125    HA3  GLY  16           HA3      GLY  16  23.687  31.461   8.633
  126    H    LEU  17           H        LEU  17  22.457  28.552  10.229
  127    HA   LEU  17           HA       LEU  17  25.227  27.848  11.113
  128    HB2  LEU  17           HB2      LEU  17  22.628  27.155  12.487
  129    HB3  LEU  17           HB3      LEU  17  24.247  27.023  13.149
  130    HG   LEU  17           HG       LEU  17  22.753  29.546  12.469
  131   HD11  LEU  17          HD11      LEU  17  22.490  29.979  14.824
  132   HD12  LEU  17          HD12      LEU  17  21.745  28.431  14.420
  133   HD13  LEU  17          HD13      LEU  17  23.336  28.489  15.240
  134   HD21  LEU  17          HD21      LEU  17  25.181  29.839  12.340
  135   HD22  LEU  17          HD22      LEU  17  24.519  30.686  13.744
  136   HD23  LEU  17          HD23      LEU  17  25.318  29.116  13.993
  137    H    LEU  18           H        LEU  18  25.465  25.547  11.721
  138    HA   LEU  18           HA       LEU  18  23.911  23.637  10.019
  139    HB2  LEU  18           HB2      LEU  18  26.831  23.584  10.865
  140    HB3  LEU  18           HB3      LEU  18  25.980  22.145  10.298
  141    HG   LEU  18           HG       LEU  18  26.177  24.678   8.633
  142   HD11  LEU  18          HD11      LEU  18  27.979  23.536   7.393
  143   HD12  LEU  18          HD12      LEU  18  28.435  23.794   9.088
  144   HD13  LEU  18          HD13      LEU  18  27.919  22.183   8.546
  145   HD21  LEU  18          HD21      LEU  18  24.370  23.164   7.933
  146   HD22  LEU  18          HD22      LEU  18  25.687  23.131   6.752
  147   HD23  LEU  18          HD23      LEU  18  25.498  21.801   7.916
  148    H    GLY  19           H        GLY  19  23.139  21.844  10.992
  149    HA2  GLY  19           HA2      GLY  19  23.015  21.920  13.993
  150    HA3  GLY  19           HA3      GLY  19  21.786  21.247  12.931
  151    H    LYS  20           H        LYS  20  23.726  20.210  15.194
  152    HA   LYS  20           HA       LYS  20  23.704  17.523  14.017
  153    HB2  LYS  20           HB2      LYS  20  25.893  16.856  14.416
  154    HB3  LYS  20           HB3      LYS  20  25.987  18.322  13.469
  155    HG2  LYS  20           HG2      LYS  20  26.496  18.131  16.474
  156    HG3  LYS  20           HG3      LYS  20  27.721  18.093  15.206
  157    HD2  LYS  20           HD2      LYS  20  27.009  20.404  14.499
  158    HD3  LYS  20           HD3      LYS  20  25.889  20.437  15.868
  159    HE2  LYS  20           HE2      LYS  20  27.876  21.614  16.509
  160    HE3  LYS  20           HE3      LYS  20  27.783  20.114  17.440
  161    HZ1  LYS  20           HZ1      LYS  20  30.001  20.600  16.567
  162    HZ2  LYS  20           HZ2      LYS  20  29.459  19.153  16.006
  163    HZ3  LYS  20           HZ3      LYS  20  29.466  20.451  15.010
  164    H    CYS  21           H        CYS  21  23.958  15.783  15.554
  165    HA   CYS  21           HA       CYS  21  22.429  16.433  17.970
  166    HB2  CYS  21           HB2      CYS  21  21.915  14.545  16.417
  167    HB3  CYS  21           HB3      CYS  21  23.418  13.781  16.910
  168    H    ILE  22           H        ILE  22  23.281  16.832  19.923
  169    HA   ILE  22           HA       ILE  22  26.088  16.134  20.559
  170    HB   ILE  22           HB       ILE  22  24.099  17.697  22.214
  171   HG12  ILE  22          HG12      ILE  22  24.303  18.918  20.142
  172   HG13  ILE  22          HG13      ILE  22  25.187  19.753  21.399
  173   HG21  ILE  22          HG21      ILE  22  26.018  16.893  23.521
  174   HG22  ILE  22          HG22      ILE  22  27.139  17.516  22.306
  175   HG23  ILE  22          HG23      ILE  22  26.159  18.632  23.277
  176   HD11  ILE  22          HD11      ILE  22  26.399  19.815  19.276
  177   HD12  ILE  22          HD12      ILE  22  27.337  18.919  20.477
  178   HD13  ILE  22          HD13      ILE  22  26.448  18.046  19.205
  179    H    GLY  23           H        GLY  23  25.208  13.907  20.224
  180    HA2  GLY  23           HA2      GLY  23  24.900  11.774  21.112
  181    HA3  GLY  23           HA3      GLY  23  24.742  12.461  22.727
  182    H    GLU  24           H        GLU  24  22.589  14.010  22.718
  183    HA   GLU  24           HA       GLU  24  20.281  12.641  21.444
  184    HB2  GLU  24           HB2      GLU  24  19.283  11.932  23.518
  185    HB3  GLU  24           HB3      GLU  24  20.898  11.254  23.358
  186    HG2  GLU  24           HG2      GLU  24  21.701  13.176  24.878
  187    HG3  GLU  24           HG3      GLU  24  20.007  13.569  25.153
  188    H    GLU  25           H        GLU  25  21.503  15.513  21.952
  189    HA   GLU  25           HA       GLU  25  18.852  16.787  21.770
  190    HB2  GLU  25           HB2      GLU  25  19.483  17.259  24.068
  191    HB3  GLU  25           HB3      GLU  25  21.089  17.809  23.573
  192    HG2  GLU  25           HG2      GLU  25  20.134  19.692  22.346
  193    HG3  GLU  25           HG3      GLU  25  18.495  19.115  22.667
  194    H    CYS  26           H        CYS  26  18.816  18.093  19.930
  195    HA   CYS  26           HA       CYS  26  21.319  18.177  18.385
  196    HB2  CYS  26           HB2      CYS  26  19.042  17.558  17.442
  197    HB3  CYS  26           HB3      CYS  26  18.672  19.291  17.505
  198    H    LYS  27           H        LYS  27  22.323  20.031  17.564
  199    HA   LYS  27           HA       LYS  27  21.621  22.640  18.808
  200    HB2  LYS  27           HB2      LYS  27  23.078  21.098  20.270
  201    HB3  LYS  27           HB3      LYS  27  24.391  21.426  19.141
  202    HG2  LYS  27           HG2      LYS  27  24.283  23.804  19.635
  203    HG3  LYS  27           HG3      LYS  27  22.798  23.613  20.574
  204    HD2  LYS  27           HD2      LYS  27  25.513  22.432  21.321
  205    HD3  LYS  27           HD3      LYS  27  24.783  23.884  22.020
  206    HE2  LYS  27           HE2      LYS  27  22.844  22.537  22.827
  207    HE3  LYS  27           HE3      LYS  27  23.580  21.087  22.146
  208    HZ1  LYS  27           HZ1      LYS  27  24.194  21.014  24.318
  209    HZ2  LYS  27           HZ2      LYS  27  25.551  21.688  23.674
  210    HZ3  LYS  27           HZ3      LYS  27  24.463  22.613  24.483
  211    H    CYS  28           H        CYS  28  22.086  24.338  17.612
  212    HA   CYS  28           HA       CYS  28  23.390  24.035  15.017
  213    HB2  CYS  28           HB2      CYS  28  22.376  26.538  16.370
  214    HB3  CYS  28           HB3      CYS  28  22.817  26.360  14.679
  215    H    VAL  29           H        VAL  29  25.186  25.291  14.283
  216    HA   VAL  29           HA       VAL  29  26.865  26.692  16.248
  217    HB   VAL  29           HB       VAL  29  28.939  25.524  15.511
  218   HG11  VAL  29          HG11      VAL  29  28.784  23.704  17.069
  219   HG12  VAL  29          HG12      VAL  29  27.876  25.076  17.705
  220   HG13  VAL  29          HG13      VAL  29  27.015  23.702  16.987
  221   HG21  VAL  29          HG21      VAL  29  28.847  23.259  14.636
  222   HG22  VAL  29          HG22      VAL  29  27.084  23.344  14.480
  223   HG23  VAL  29          HG23      VAL  29  28.123  24.374  13.476
  224    HA   PRO  30           HA       PRO  30  27.292  29.284  12.769
  225    HB2  PRO  30           HB2      PRO  30  29.154  31.066  13.569
  226    HB3  PRO  30           HB3      PRO  30  27.630  30.832  14.465
  227    HG2  PRO  30           HG2      PRO  30  30.310  29.571  15.074
  228    HG3  PRO  30           HG3      PRO  30  29.254  30.505  16.193
  229    HD2  PRO  30           HD2      PRO  30  29.173  27.775  16.076
  230    HD3  PRO  30           HD3      PRO  30  27.695  28.749  16.327
  231    H    HIS  31           H        HIS  31  29.844  27.170  13.402
  232    HA   HIS  31           HA       HIS  31  31.774  28.045  11.503
  233    HB2  HIS  31           HB2      HIS  31  31.449  25.418  12.980
  234    HB3  HIS  31           HB3      HIS  31  32.906  25.944  12.119
  235    HD2  HIS  31           HD2      HIS  31  34.040  28.262  13.034
  236    HE1  HIS  31           HE1      HIS  31  32.171  28.340  16.834
  237    HE2  HIS  31           HE2      HIS  31  34.037  29.339  15.454
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  14.416  11.173  25.687
    2    H2   ALA   1           H2       ALA   1  13.575  10.146  24.725
    3    H3   ALA   1           H3       ALA   1  12.775  11.338  25.520
    4    HA   ALA   1           HA       ALA   1  12.986  11.940  23.240
    5    HB1  ALA   1           HB1      ALA   1  13.146  13.749  24.994
    6    HB2  ALA   1           HB2      ALA   1  14.918  13.613  24.903
    7    HB3  ALA   1           HB3      ALA   1  13.988  14.130  23.481
    8    H    PHE   2           H        PHE   2  14.315  12.367  21.415
    9    HA   PHE   2           HA       PHE   2  17.167  11.587  21.480
   10    HB2  PHE   2           HB2      PHE   2  15.090  10.382  19.612
   11    HB3  PHE   2           HB3      PHE   2  16.832  10.205  19.433
   12    HD1  PHE   2           HD1      PHE   2  13.893   8.810  20.962
   13    HD2  PHE   2           HD2      PHE   2  18.167   9.149  21.396
   14    HE1  PHE   2           HE1      PHE   2  13.901   6.857  22.484
   15    HE2  PHE   2           HE2      PHE   2  18.160   7.189  22.912
   16    HZ   PHE   2           HZ       PHE   2  16.029   6.040  23.475
   17    H    CYS   3           H        CYS   3  18.241  12.127  19.381
   18    HA   CYS   3           HA       CYS   3  17.785  14.892  18.719
   19    HB2  CYS   3           HB2      CYS   3  19.637  12.704  17.719
   20    HB3  CYS   3           HB3      CYS   3  19.618  14.286  16.974
   21    H    ASN   4           H        ASN   4  17.200  15.863  16.876
   22    HA   ASN   4           HA       ASN   4  16.015  14.335  14.611
   23    HB2  ASN   4           HB2      ASN   4  16.052  17.244  15.444
   24    HB3  ASN   4           HB3      ASN   4  15.724  16.805  13.773
   25   HD21  ASN   4          HD21      ASN   4  14.605  16.541  17.063
   26   HD22  ASN   4          HD22      ASN   4  13.031  15.868  16.589
   27    H    LEU   5           H        LEU   5  16.843  15.014  12.393
   28    HA   LEU   5           HA       LEU   5  19.485  16.291  12.383
   29    HB2  LEU   5           HB2      LEU   5  19.592  13.652  12.474
   30    HB3  LEU   5           HB3      LEU   5  19.237  13.767  10.763
   31    HG   LEU   5           HG       LEU   5  21.577  13.524  11.235
   32   HD11  LEU   5          HD11      LEU   5  20.873  14.843   9.246
   33   HD12  LEU   5          HD12      LEU   5  21.145  16.331  10.176
   34   HD13  LEU   5          HD13      LEU   5  22.494  15.234   9.826
   35   HD21  LEU   5          HD21      LEU   5  21.632  16.243  12.596
   36   HD22  LEU   5          HD22      LEU   5  21.646  14.681  13.453
   37   HD23  LEU   5          HD23      LEU   5  22.972  15.112  12.360
   38    H    ARG   6           H        ARG   6  17.036  14.790  10.162
   39    HA   ARG   6           HA       ARG   6  17.358  16.838   8.184
   40    HB2  ARG   6           HB2      ARG   6  15.197  16.117   7.267
   41    HB3  ARG   6           HB3      ARG   6  16.325  14.794   7.540
   42    HG2  ARG   6           HG2      ARG   6  15.103  14.188   9.620
   43    HG3  ARG   6           HG3      ARG   6  13.909  15.450   9.281
   44    HD2  ARG   6           HD2      ARG   6  14.515  13.033   7.529
   45    HD3  ARG   6           HD3      ARG   6  13.177  13.177   8.676
   46    HE   ARG   6           HE       ARG   6  13.264  15.304   6.659
   47   HH11  ARG   6          HH11      ARG   6  11.604  12.276   7.552
   48   HH12  ARG   6          HH12      ARG   6  10.487  12.521   6.212
   49   HH21  ARG   6          HH21      ARG   6  11.793  15.396   5.067
   50   HH22  ARG   6          HH22      ARG   6  10.532  14.159   4.980
   51    H    ARG   7           H        ARG   7  14.837  16.733  10.782
   52    HA   ARG   7           HA       ARG   7  13.919  19.430  10.185
   53    HB2  ARG   7           HB2      ARG   7  13.629  17.702  12.674
   54    HB3  ARG   7           HB3      ARG   7  12.859  19.276  12.453
   55    HG2  ARG   7           HG2      ARG   7  11.611  18.437  10.502
   56    HG3  ARG   7           HG3      ARG   7  12.417  16.869  10.623
   57    HD2  ARG   7           HD2      ARG   7  10.154  16.794  11.584
   58    HD3  ARG   7           HD3      ARG   7  11.407  16.434  12.783
   59    HE   ARG   7           HE       ARG   7  10.387  19.236  12.589
   60   HH11  ARG   7          HH11      ARG   7  10.228  16.251  14.462
   61   HH12  ARG   7          HH12      ARG   7  10.071  17.151  15.949
   62   HH21  ARG   7          HH21      ARG   7   9.913  20.221  14.397
   63   HH22  ARG   7          HH22      ARG   7   9.444  19.327  15.834
   64    H    CYS   8           H        CYS   8  16.266  18.179  12.475
   65    HA   CYS   8           HA       CYS   8  16.923  20.600  13.827
   66    HB2  CYS   8           HB2      CYS   8  17.659  18.453  14.649
   67    HB3  CYS   8           HB3      CYS   8  18.591  18.159  13.185
   68    H    GLU   9           H        GLU   9  18.532  19.235  10.843
   69    HA   GLU   9           HA       GLU   9  20.244  21.518  10.525
   70    HB2  GLU   9           HB2      GLU   9  19.304  19.385   8.566
   71    HB3  GLU   9           HB3      GLU   9  20.287  20.774   8.094
   72    HG2  GLU   9           HG2      GLU   9  21.888  20.101  10.006
   73    HG3  GLU   9           HG3      GLU   9  21.065  18.551  10.003
   74    H    LEU  10           H        LEU  10  16.914  20.918   9.203
   75    HA   LEU  10           HA       LEU  10  16.879  23.292   7.612
   76    HB2  LEU  10           HB2      LEU  10  14.612  21.903   9.095
   77    HB3  LEU  10           HB3      LEU  10  14.381  23.165   7.885
   78    HG   LEU  10           HG       LEU  10  15.733  20.494   7.373
   79   HD11  LEU  10          HD11      LEU  10  12.930  21.442   6.688
   80   HD12  LEU  10          HD12      LEU  10  13.659  19.901   6.177
   81   HD13  LEU  10          HD13      LEU  10  13.360  20.206   7.893
   82   HD21  LEU  10          HD21      LEU  10  15.381  21.063   4.970
   83   HD22  LEU  10          HD22      LEU  10  14.811  22.676   5.455
   84   HD23  LEU  10          HD23      LEU  10  16.490  22.182   5.765
   85    H    SER  11           H        SER  11  15.935  22.880  11.037
   86    HA   SER  11           HA       SER  11  15.233  25.606  11.511
   87    HB2  SER  11           HB2      SER  11  16.228  23.441  13.399
   88    HB3  SER  11           HB3      SER  11  15.600  25.014  13.925
   89    HG   SER  11           HG       SER  11  14.048  23.258  13.845
   90    H    CYS  12           H        CYS  12  18.450  24.041  11.678
   91    HA   CYS  12           HA       CYS  12  19.709  26.477  12.715
   92    HB2  CYS  12           HB2      CYS  12  20.921  23.934  11.582
   93    HB3  CYS  12           HB3      CYS  12  21.802  25.219  12.399
   94    H    ARG  13           H        ARG  13  19.706  24.812   9.518
   95    HA   ARG  13           HA       ARG  13  21.401  26.662   8.159
   96    HB2  ARG  13           HB2      ARG  13  19.304  24.750   7.099
   97    HB3  ARG  13           HB3      ARG  13  20.411  25.700   6.103
   98    HG2  ARG  13           HG2      ARG  13  22.365  24.645   7.257
   99    HG3  ARG  13           HG3      ARG  13  21.266  23.615   8.157
  100    HD2  ARG  13           HD2      ARG  13  20.355  22.815   5.916
  101    HD3  ARG  13           HD3      ARG  13  21.672  23.700   5.143
  102    HE   ARG  13           HE       ARG  13  21.836  21.225   6.731
  103   HH11  ARG  13          HH11      ARG  13  23.908  23.696   5.222
  104   HH12  ARG  13          HH12      ARG  13  25.252  22.567   5.267
  105   HH21  ARG  13          HH21      ARG  13  23.554  19.958   6.585
  106   HH22  ARG  13          HH22      ARG  13  25.089  20.597   6.005
  107    H    SER  14           H        SER  14  18.028  26.919   9.062
  108    HA   SER  14           HA       SER  14  17.217  29.005   7.298
  109    HB2  SER  14           HB2      SER  14  15.808  27.625   8.970
  110    HB3  SER  14           HB3      SER  14  16.340  28.785  10.194
  111    HG   SER  14           HG       SER  14  14.812  29.158   7.841
  112    H    LEU  15           H        LEU  15  19.416  29.148  10.067
  113    HA   LEU  15           HA       LEU  15  19.592  32.118   9.814
  114    HB2  LEU  15           HB2      LEU  15  20.337  30.290  12.118
  115    HB3  LEU  15           HB3      LEU  15  20.568  32.040  12.090
  116    HG   LEU  15           HG       LEU  15  17.870  30.625  11.950
  117   HD11  LEU  15          HD11      LEU  15  19.243  32.076  14.255
  118   HD12  LEU  15          HD12      LEU  15  17.587  31.432  14.264
  119   HD13  LEU  15          HD13      LEU  15  18.963  30.324  14.133
  120   HD21  LEU  15          HD21      LEU  15  16.938  32.875  12.447
  121   HD22  LEU  15          HD22      LEU  15  18.564  33.578  12.313
  122   HD23  LEU  15          HD23      LEU  15  17.776  32.853  10.895
  123    H    GLY  16           H        GLY  16  20.861  29.774   8.233
  124    HA2  GLY  16           HA2      GLY  16  22.846  29.398   7.146
  125    HA3  GLY  16           HA3      GLY  16  23.466  30.913   7.811
  126    H    LEU  17           H        LEU  17  22.367  28.445  10.051
  127    HA   LEU  17           HA       LEU  17  25.138  27.966  11.010
  128    HB2  LEU  17           HB2      LEU  17  22.541  27.038  12.219
  129    HB3  LEU  17           HB3      LEU  17  24.079  27.091  13.026
  130    HG   LEU  17           HG       LEU  17  22.453  29.454  12.120
  131   HD11  LEU  17          HD11      LEU  17  22.823  28.561  14.978
  132   HD12  LEU  17          HD12      LEU  17  21.859  29.913  14.384
  133   HD13  LEU  17          HD13      LEU  17  21.356  28.267  13.991
  134   HD21  LEU  17          HD21      LEU  17  24.012  30.756  13.574
  135   HD22  LEU  17          HD22      LEU  17  24.904  29.242  13.906
  136   HD23  LEU  17          HD23      LEU  17  24.871  29.939  12.259
  137    H    LEU  18           H        LEU  18  25.681  25.803  11.683
  138    HA   LEU  18           HA       LEU  18  24.630  23.620   9.911
  139    HB2  LEU  18           HB2      LEU  18  27.123  23.800  11.634
  140    HB3  LEU  18           HB3      LEU  18  26.602  22.324  10.814
  141    HG   LEU  18           HG       LEU  18  27.162  24.914   9.344
  142   HD11  LEU  18          HD11      LEU  18  29.197  24.164  10.520
  143   HD12  LEU  18          HD12      LEU  18  29.015  22.542   9.803
  144   HD13  LEU  18          HD13      LEU  18  29.350  23.947   8.771
  145   HD21  LEU  18          HD21      LEU  18  27.003  22.041   8.360
  146   HD22  LEU  18          HD22      LEU  18  25.799  23.314   8.059
  147   HD23  LEU  18          HD23      LEU  18  27.425  23.458   7.375
  148    H    GLY  19           H        GLY  19  23.727  21.839  10.784
  149    HA2  GLY  19           HA2      GLY  19  22.816  22.004  13.655
  150    HA3  GLY  19           HA3      GLY  19  21.889  21.252  12.360
  151    H    LYS  20           H        LYS  20  23.390  20.380  15.024
  152    HA   LYS  20           HA       LYS  20  24.081  17.704  14.053
  153    HB2  LYS  20           HB2      LYS  20  26.343  17.658  14.940
  154    HB3  LYS  20           HB3      LYS  20  26.166  18.794  13.613
  155    HG2  LYS  20           HG2      LYS  20  26.035  19.892  16.395
  156    HG3  LYS  20           HG3      LYS  20  27.592  19.335  15.791
  157    HD2  LYS  20           HD2      LYS  20  25.811  21.334  14.389
  158    HD3  LYS  20           HD3      LYS  20  27.192  21.761  15.403
  159    HE2  LYS  20           HE2      LYS  20  27.210  20.360  12.694
  160    HE3  LYS  20           HE3      LYS  20  27.750  21.996  13.054
  161    HZ1  LYS  20           HZ1      LYS  20  29.496  20.943  14.492
  162    HZ2  LYS  20           HZ2      LYS  20  29.045  19.473  13.886
  163    HZ3  LYS  20           HZ3      LYS  20  29.651  20.605  12.882
  164    H    CYS  21           H        CYS  21  24.436  16.145  15.664
  165    HA   CYS  21           HA       CYS  21  22.606  16.609  17.938
  166    HB2  CYS  21           HB2      CYS  21  22.200  14.752  16.418
  167    HB3  CYS  21           HB3      CYS  21  23.821  14.139  16.683
  168    H    ILE  22           H        ILE  22  23.202  16.781  20.034
  169    HA   ILE  22           HA       ILE  22  25.986  16.436  20.919
  170    HB   ILE  22           HB       ILE  22  23.399  16.953  22.421
  171   HG12  ILE  22          HG12      ILE  22  25.709  18.886  21.980
  172   HG13  ILE  22          HG13      ILE  22  24.364  18.777  20.846
  173   HG21  ILE  22          HG21      ILE  22  26.275  16.912  23.441
  174   HG22  ILE  22          HG22      ILE  22  24.898  17.541  24.366
  175   HG23  ILE  22          HG23      ILE  22  24.964  15.837  23.951
  176   HD11  ILE  22          HD11      ILE  22  24.008  20.605  22.433
  177   HD12  ILE  22          HD12      ILE  22  22.748  19.371  22.579
  178   HD13  ILE  22          HD13      ILE  22  24.044  19.485  23.792
  179    H    GLY  23           H        GLY  23  23.012  14.540  21.035
  180    HA2  GLY  23           HA2      GLY  23  24.051  11.984  21.020
  181    HA3  GLY  23           HA3      GLY  23  23.997  12.403  22.744
  182    H    GLU  24           H        GLU  24  21.726  13.968  22.807
  183    HA   GLU  24           HA       GLU  24  19.461  12.732  21.391
  184    HB2  GLU  24           HB2      GLU  24  18.118  12.392  23.343
  185    HB3  GLU  24           HB3      GLU  24  19.498  11.296  23.271
  186    HG2  GLU  24           HG2      GLU  24  19.462  13.858  24.945
  187    HG3  GLU  24           HG3      GLU  24  18.858  12.308  25.484
  188    H    GLU  25           H        GLU  25  21.021  15.483  22.161
  189    HA   GLU  25           HA       GLU  25  18.576  17.128  21.807
  190    HB2  GLU  25           HB2      GLU  25  19.576  17.381  24.062
  191    HB3  GLU  25           HB3      GLU  25  21.114  17.791  23.318
  192    HG2  GLU  25           HG2      GLU  25  20.243  19.847  23.938
  193    HG3  GLU  25           HG3      GLU  25  19.906  19.785  22.218
  194    H    CYS  26           H        CYS  26  18.546  18.405  20.017
  195    HA   CYS  26           HA       CYS  26  20.769  18.491  18.122
  196    HB2  CYS  26           HB2      CYS  26  18.533  18.431  17.254
  197    HB3  CYS  26           HB3      CYS  26  18.027  19.753  18.290
  198    H    LYS  27           H        LYS  27  22.183  20.094  17.695
  199    HA   LYS  27           HA       LYS  27  22.067  22.715  19.136
  200    HB2  LYS  27           HB2      LYS  27  23.688  21.458  20.316
  201    HB3  LYS  27           HB3      LYS  27  24.351  20.733  18.851
  202    HG2  LYS  27           HG2      LYS  27  25.357  22.821  18.162
  203    HG3  LYS  27           HG3      LYS  27  24.592  23.690  19.495
  204    HD2  LYS  27           HD2      LYS  27  26.523  21.388  19.948
  205    HD3  LYS  27           HD3      LYS  27  27.100  23.033  19.695
  206    HE2  LYS  27           HE2      LYS  27  25.052  22.392  21.850
  207    HE3  LYS  27           HE3      LYS  27  26.791  22.200  22.128
  208    HZ1  LYS  27           HZ1      LYS  27  25.518  24.756  21.306
  209    HZ2  LYS  27           HZ2      LYS  27  25.957  24.355  22.841
  210    HZ3  LYS  27           HZ3      LYS  27  27.100  24.537  21.665
  211    H    CYS  28           H        CYS  28  22.597  24.483  17.979
  212    HA   CYS  28           HA       CYS  28  23.352  24.144  15.112
  213    HB2  CYS  28           HB2      CYS  28  22.216  26.596  16.452
  214    HB3  CYS  28           HB3      CYS  28  22.592  26.399  14.751
  215    H    VAL  29           H        VAL  29  25.061  25.508  14.241
  216    HA   VAL  29           HA       VAL  29  26.651  27.137  16.110
  217    HB   VAL  29           HB       VAL  29  28.789  26.145  15.494
  218   HG11  VAL  29          HG11      VAL  29  27.689  25.474  17.614
  219   HG12  VAL  29          HG12      VAL  29  27.025  24.044  16.788
  220   HG13  VAL  29          HG13      VAL  29  28.779  24.243  16.960
  221   HG21  VAL  29          HG21      VAL  29  28.338  25.016  13.402
  222   HG22  VAL  29          HG22      VAL  29  28.888  23.822  14.575
  223   HG23  VAL  29          HG23      VAL  29  27.158  23.940  14.184
  224    HA   PRO  30           HA       PRO  30  27.045  29.386  12.257
  225    HB2  PRO  30           HB2      PRO  30  28.493  31.532  13.041
  226    HB3  PRO  30           HB3      PRO  30  26.891  31.192  13.761
  227    HG2  PRO  30           HG2      PRO  30  29.623  30.505  14.892
  228    HG3  PRO  30           HG3      PRO  30  28.253  31.306  15.723
  229    HD2  PRO  30           HD2      PRO  30  28.766  28.591  15.879
  230    HD3  PRO  30           HD3      PRO  30  27.125  29.277  16.007
  231    H    HIS  31           H        HIS  31  29.761  27.984  13.723
  232    HA   HIS  31           HA       HIS  31  31.930  29.094  12.323
  233    HB2  HIS  31           HB2      HIS  31  31.791  26.368  13.640
  234    HB3  HIS  31           HB3      HIS  31  33.261  27.281  13.290
  235    HD2  HIS  31           HD2      HIS  31  31.396  26.423  16.180
  236    HE1  HIS  31           HE1      HIS  31  32.343  30.502  16.978
  237    HE2  HIS  31           HE2      HIS  31  31.578  28.313  18.024
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  14.405  10.081  25.274
    2    H2   ALA   1           H2       ALA   1  14.462  11.228  26.424
    3    H3   ALA   1           H3       ALA   1  15.848  10.469  25.989
    4    HA   ALA   1           HA       ALA   1  14.216  12.250  24.300
    5    HB1  ALA   1           HB1      ALA   1  15.434  13.468  26.081
    6    HB2  ALA   1           HB2      ALA   1  16.959  12.718  25.558
    7    HB3  ALA   1           HB3      ALA   1  16.101  13.840  24.479
    8    H    PHE   2           H        PHE   2  15.106  12.713  22.171
    9    HA   PHE   2           HA       PHE   2  17.379  11.097  21.212
   10    HB2  PHE   2           HB2      PHE   2  14.579  10.954  20.028
   11    HB3  PHE   2           HB3      PHE   2  16.030  10.413  19.199
   12    HD1  PHE   2           HD1      PHE   2  13.485   9.487  21.629
   13    HD2  PHE   2           HD2      PHE   2  17.410   8.529  20.126
   14    HE1  PHE   2           HE1      PHE   2  13.320   7.212  22.602
   15    HE2  PHE   2           HE2      PHE   2  17.225   6.256  21.088
   16    HZ   PHE   2           HZ       PHE   2  15.172   5.584  22.331
   17    H    CYS   3           H        CYS   3  18.448  11.963  19.463
   18    HA   CYS   3           HA       CYS   3  18.164  14.786  18.928
   19    HB2  CYS   3           HB2      CYS   3  19.834  12.520  17.829
   20    HB3  CYS   3           HB3      CYS   3  19.863  14.089  17.046
   21    H    ASN   4           H        ASN   4  17.627  15.896  17.020
   22    HA   ASN   4           HA       ASN   4  16.203  14.427  14.848
   23    HB2  ASN   4           HB2      ASN   4  16.444  17.349  15.699
   24    HB3  ASN   4           HB3      ASN   4  15.904  16.903  14.088
   25   HD21  ASN   4          HD21      ASN   4  12.766  15.669  15.115
   26   HD22  ASN   4          HD22      ASN   4  13.982  15.636  13.842
   27    H    LEU   5           H        LEU   5  16.932  15.463  12.623
   28    HA   LEU   5           HA       LEU   5  19.668  16.463  12.641
   29    HB2  LEU   5           HB2      LEU   5  19.443  13.751  12.154
   30    HB3  LEU   5           HB3      LEU   5  19.397  14.403  10.520
   31    HG   LEU   5           HG       LEU   5  21.497  15.013  12.652
   32   HD11  LEU   5          HD11      LEU   5  23.009  13.630  11.299
   33   HD12  LEU   5          HD12      LEU   5  21.608  12.688  11.830
   34   HD13  LEU   5          HD13      LEU   5  21.694  13.283  10.155
   35   HD21  LEU   5          HD21      LEU   5  21.323  16.893  11.069
   36   HD22  LEU   5          HD22      LEU   5  22.821  16.005  10.813
   37   HD23  LEU   5          HD23      LEU   5  21.460  15.765   9.699
   38    H    ARG   6           H        ARG   6  17.312  15.272  10.174
   39    HA   ARG   6           HA       ARG   6  17.670  17.526   8.487
   40    HB2  ARG   6           HB2      ARG   6  16.618  15.321   7.877
   41    HB3  ARG   6           HB3      ARG   6  15.165  15.801   8.742
   42    HG2  ARG   6           HG2      ARG   6  14.972  16.095   6.293
   43    HG3  ARG   6           HG3      ARG   6  14.742  17.608   7.162
   44    HD2  ARG   6           HD2      ARG   6  16.093  17.866   5.081
   45    HD3  ARG   6           HD3      ARG   6  16.928  18.405   6.523
   46    HE   ARG   6           HE       ARG   6  18.367  16.524   6.476
   47   HH11  ARG   6          HH11      ARG   6  16.362  16.488   3.559
   48   HH12  ARG   6          HH12      ARG   6  17.518  15.449   2.737
   49   HH21  ARG   6          HH21      ARG   6  19.768  15.336   5.302
   50   HH22  ARG   6          HH22      ARG   6  19.464  14.990   3.635
   51    H    ARG   7           H        ARG   7  15.149  17.080  10.997
   52    HA   ARG   7           HA       ARG   7  13.855  19.643  10.611
   53    HB2  ARG   7           HB2      ARG   7  12.996  17.576  11.872
   54    HB3  ARG   7           HB3      ARG   7  14.051  18.062  13.198
   55    HG2  ARG   7           HG2      ARG   7  12.825  20.288  13.241
   56    HG3  ARG   7           HG3      ARG   7  11.683  19.620  12.071
   57    HD2  ARG   7           HD2      ARG   7  12.305  18.446  14.815
   58    HD3  ARG   7           HD3      ARG   7  10.948  19.528  14.483
   59    HE   ARG   7           HE       ARG   7  10.478  17.520  12.688
   60   HH11  ARG   7          HH11      ARG   7  11.128  17.327  16.144
   61   HH12  ARG   7          HH12      ARG   7  10.324  15.792  16.295
   62   HH21  ARG   7          HH21      ARG   7   9.054  15.842  13.087
   63   HH22  ARG   7          HH22      ARG   7   9.211  14.959  14.583
   64    H    CYS   8           H        CYS   8  16.621  18.652  12.476
   65    HA   CYS   8           HA       CYS   8  16.983  21.090  14.004
   66    HB2  CYS   8           HB2      CYS   8  17.790  18.849  14.770
   67    HB3  CYS   8           HB3      CYS   8  18.859  18.783  13.366
   68    H    GLU   9           H        GLU   9  18.684  19.728  11.120
   69    HA   GLU   9           HA       GLU   9  20.391  21.907  10.527
   70    HB2  GLU   9           HB2      GLU   9  19.063  19.781   8.808
   71    HB3  GLU   9           HB3      GLU   9  20.268  20.891   8.173
   72    HG2  GLU   9           HG2      GLU   9  21.023  19.345  10.654
   73    HG3  GLU   9           HG3      GLU   9  20.858  18.446   9.149
   74    H    LEU  10           H        LEU  10  17.005  21.331   9.510
   75    HA   LEU  10           HA       LEU  10  16.753  23.670   7.854
   76    HB2  LEU  10           HB2      LEU  10  14.747  21.953   9.370
   77    HB3  LEU  10           HB3      LEU  10  14.258  23.250   8.283
   78    HG   LEU  10           HG       LEU  10  16.001  20.928   7.439
   79   HD11  LEU  10          HD11      LEU  10  13.838  20.047   8.161
   80   HD12  LEU  10          HD12      LEU  10  12.986  21.252   7.180
   81   HD13  LEU  10          HD13      LEU  10  13.948  19.981   6.396
   82   HD21  LEU  10          HD21      LEU  10  15.261  21.569   5.150
   83   HD22  LEU  10          HD22      LEU  10  14.405  22.968   5.841
   84   HD23  LEU  10          HD23      LEU  10  16.179  22.851   5.942
   85    H    SER  11           H        SER  11  16.095  23.159  11.305
   86    HA   SER  11           HA       SER  11  15.198  25.848  11.899
   87    HB2  SER  11           HB2      SER  11  14.929  24.164  13.621
   88    HB3  SER  11           HB3      SER  11  16.661  23.834  13.640
   89    HG   SER  11           HG       SER  11  15.265  26.008  14.745
   90    H    CYS  12           H        CYS  12  18.472  24.380  11.940
   91    HA   CYS  12           HA       CYS  12  19.839  26.793  12.545
   92    HB2  CYS  12           HB2      CYS  12  20.771  24.224  11.234
   93    HB3  CYS  12           HB3      CYS  12  21.829  25.451  11.889
   94    H    ARG  13           H        ARG  13  18.935  25.471   9.364
   95    HA   ARG  13           HA       ARG  13  20.438  27.184   7.682
   96    HB2  ARG  13           HB2      ARG  13  18.952  25.188   7.060
   97    HB3  ARG  13           HB3      ARG  13  17.573  26.283   7.183
   98    HG2  ARG  13           HG2      ARG  13  18.544  27.702   5.370
   99    HG3  ARG  13           HG3      ARG  13  19.958  26.645   5.326
  100    HD2  ARG  13           HD2      ARG  13  18.552  26.010   3.503
  101    HD3  ARG  13           HD3      ARG  13  18.472  24.719   4.712
  102    HE   ARG  13           HE       ARG  13  16.358  26.662   5.090
  103   HH11  ARG  13          HH11      ARG  13  17.091  23.984   2.893
  104   HH12  ARG  13          HH12      ARG  13  15.374  23.725   2.614
  105   HH21  ARG  13          HH21      ARG  13  14.273  26.169   4.686
  106   HH22  ARG  13          HH22      ARG  13  13.873  24.875   3.570
  107    H    SER  14           H        SER  14  17.459  27.892   9.488
  108    HA   SER  14           HA       SER  14  17.018  30.481   8.346
  109    HB2  SER  14           HB2      SER  14  16.132  29.411  11.030
  110    HB3  SER  14           HB3      SER  14  15.464  30.826  10.194
  111    HG   SER  14           HG       SER  14  14.789  29.500   8.517
  112    H    LEU  15           H        LEU  15  19.678  29.609  10.339
  113    HA   LEU  15           HA       LEU  15  20.137  32.511  10.835
  114    HB2  LEU  15           HB2      LEU  15  20.886  30.117  12.549
  115    HB3  LEU  15           HB3      LEU  15  21.498  31.747  12.823
  116    HG   LEU  15           HG       LEU  15  18.546  30.988  12.915
  117   HD11  LEU  15          HD11      LEU  15  19.813  29.855  14.692
  118   HD12  LEU  15          HD12      LEU  15  20.539  31.401  15.184
  119   HD13  LEU  15          HD13      LEU  15  18.792  31.132  15.362
  120   HD21  LEU  15          HD21      LEU  15  20.042  33.493  13.825
  121   HD22  LEU  15          HD22      LEU  15  18.900  33.392  12.464
  122   HD23  LEU  15          HD23      LEU  15  18.317  33.158  14.112
  123    H    GLY  16           H        GLY  16  20.871  30.208   8.736
  124    HA2  GLY  16           HA2      GLY  16  22.627  29.814   7.307
  125    HA3  GLY  16           HA3      GLY  16  23.500  31.171   8.026
  126    H    LEU  17           H        LEU  17  22.375  28.385   9.915
  127    HA   LEU  17           HA       LEU  17  25.196  27.616  10.492
  128    HB2  LEU  17           HB2      LEU  17  22.806  27.093  12.250
  129    HB3  LEU  17           HB3      LEU  17  24.497  26.918  12.682
  130    HG   LEU  17           HG       LEU  17  23.077  29.502  12.089
  131   HD11  LEU  17          HD11      LEU  17  22.159  28.529  14.147
  132   HD12  LEU  17          HD12      LEU  17  23.815  28.461  14.831
  133   HD13  LEU  17          HD13      LEU  17  23.059  30.014  14.445
  134   HD21  LEU  17          HD21      LEU  17  25.720  28.882  13.417
  135   HD22  LEU  17          HD22      LEU  17  25.525  29.547  11.763
  136   HD23  LEU  17          HD23      LEU  17  25.041  30.524  13.161
  137    H    LEU  18           H        LEU  18  25.542  25.424  11.069
  138    HA   LEU  18           HA       LEU  18  23.760  23.407   9.753
  139    HB2  LEU  18           HB2      LEU  18  26.719  23.375  10.451
  140    HB3  LEU  18           HB3      LEU  18  25.784  21.891  10.311
  141    HG   LEU  18           HG       LEU  18  25.061  22.616   7.995
  142   HD11  LEU  18          HD11      LEU  18  26.612  24.177   6.803
  143   HD12  LEU  18          HD12      LEU  18  25.594  24.987   7.993
  144   HD13  LEU  18          HD13      LEU  18  27.296  24.640   8.380
  145   HD21  LEU  18          HD21      LEU  18  27.102  21.846   6.927
  146   HD22  LEU  18          HD22      LEU  18  28.032  22.190   8.401
  147   HD23  LEU  18          HD23      LEU  18  26.796  20.911   8.395
  148    H    GLY  19           H        GLY  19  23.065  21.651  10.939
  149    HA2  GLY  19           HA2      GLY  19  22.846  22.031  13.902
  150    HA3  GLY  19           HA3      GLY  19  21.795  21.031  12.901
  151    H    LYS  20           H        LYS  20  23.593  20.515  15.330
  152    HA   LYS  20           HA       LYS  20  24.883  17.999  14.357
  153    HB2  LYS  20           HB2      LYS  20  26.100  19.936  16.376
  154    HB3  LYS  20           HB3      LYS  20  26.783  18.391  15.873
  155    HG2  LYS  20           HG2      LYS  20  26.435  20.831  14.087
  156    HG3  LYS  20           HG3      LYS  20  27.928  20.333  14.883
  157    HD2  LYS  20           HD2      LYS  20  27.988  18.250  13.580
  158    HD3  LYS  20           HD3      LYS  20  26.447  18.661  12.800
  159    HE2  LYS  20           HE2      LYS  20  27.558  20.855  12.066
  160    HE3  LYS  20           HE3      LYS  20  29.092  20.165  12.600
  161    HZ1  LYS  20           HZ1      LYS  20  27.305  19.102  10.484
  162    HZ2  LYS  20           HZ2      LYS  20  28.779  19.792  10.285
  163    HZ3  LYS  20           HZ3      LYS  20  28.676  18.318  11.020
  164    H    CYS  21           H        CYS  21  24.468  16.265  15.568
  165    HA   CYS  21           HA       CYS  21  22.745  16.471  17.937
  166    HB2  CYS  21           HB2      CYS  21  22.404  14.683  16.351
  167    HB3  CYS  21           HB3      CYS  21  24.057  14.147  16.545
  168    H    ILE  22           H        ILE  22  23.259  16.362  20.031
  169    HA   ILE  22           HA       ILE  22  26.004  15.531  20.863
  170    HB   ILE  22           HB       ILE  22  24.301  17.584  22.271
  171   HG12  ILE  22          HG12      ILE  22  26.694  17.937  20.412
  172   HG13  ILE  22          HG13      ILE  22  25.058  18.557  20.171
  173   HG21  ILE  22          HG21      ILE  22  26.275  17.925  23.685
  174   HG22  ILE  22          HG22      ILE  22  25.873  16.220  23.716
  175   HG23  ILE  22          HG23      ILE  22  27.217  16.777  22.706
  176   HD11  ILE  22          HD11      ILE  22  26.438  20.385  20.823
  177   HD12  ILE  22          HD12      ILE  22  25.366  20.016  22.196
  178   HD13  ILE  22          HD13      ILE  22  27.074  19.518  22.221
  179    H    GLY  23           H        GLY  23  25.064  13.465  20.749
  180    HA2  GLY  23           HA2      GLY  23  24.607  11.509  21.873
  181    HA3  GLY  23           HA3      GLY  23  24.312  12.448  23.336
  182    H    GLU  24           H        GLU  24  22.165  13.903  22.902
  183    HA   GLU  24           HA       GLU  24  19.946  12.197  21.855
  184    HB2  GLU  24           HB2      GLU  24  18.806  12.083  23.957
  185    HB3  GLU  24           HB3      GLU  24  20.447  11.487  24.197
  186    HG2  GLU  24           HG2      GLU  24  21.083  13.770  25.087
  187    HG3  GLU  24           HG3      GLU  24  19.386  14.243  24.968
  188    H    GLU  25           H        GLU  25  21.195  15.280  22.018
  189    HA   GLU  25           HA       GLU  25  18.636  16.376  21.074
  190    HB2  GLU  25           HB2      GLU  25  18.599  16.978  23.428
  191    HB3  GLU  25           HB3      GLU  25  20.251  17.561  23.346
  192    HG2  GLU  25           HG2      GLU  25  18.891  19.464  23.450
  193    HG3  GLU  25           HG3      GLU  25  19.480  19.401  21.789
  194    H    CYS  26           H        CYS  26  18.874  17.647  19.329
  195    HA   CYS  26           HA       CYS  26  21.630  18.209  18.393
  196    HB2  CYS  26           HB2      CYS  26  20.177  16.873  16.982
  197    HB3  CYS  26           HB3      CYS  26  18.971  18.142  16.945
  198    H    LYS  27           H        LYS  27  22.417  20.172  17.938
  199    HA   LYS  27           HA       LYS  27  20.755  22.625  18.246
  200    HB2  LYS  27           HB2      LYS  27  22.327  23.689  19.699
  201    HB3  LYS  27           HB3      LYS  27  21.717  22.219  20.460
  202    HG2  LYS  27           HG2      LYS  27  23.824  21.058  20.049
  203    HG3  LYS  27           HG3      LYS  27  24.400  22.372  19.020
  204    HD2  LYS  27           HD2      LYS  27  25.489  22.592  21.136
  205    HD3  LYS  27           HD3      LYS  27  24.351  23.931  20.946
  206    HE2  LYS  27           HE2      LYS  27  22.739  22.846  22.428
  207    HE3  LYS  27           HE3      LYS  27  23.732  21.386  22.513
  208    HZ1  LYS  27           HZ1      LYS  27  25.444  22.682  23.653
  209    HZ2  LYS  27           HZ2      LYS  27  24.551  24.055  23.520
  210    HZ3  LYS  27           HZ3      LYS  27  24.012  22.826  24.463
  211    H    CYS  28           H        CYS  28  21.832  24.592  17.443
  212    HA   CYS  28           HA       CYS  28  23.306  24.029  14.975
  213    HB2  CYS  28           HB2      CYS  28  22.636  26.742  16.123
  214    HB3  CYS  28           HB3      CYS  28  23.083  26.354  14.484
  215    H    VAL  29           H        VAL  29  25.240  25.289  14.344
  216    HA   VAL  29           HA       VAL  29  27.089  25.837  16.593
  217    HB   VAL  29           HB       VAL  29  28.842  24.455  15.763
  218   HG11  VAL  29          HG11      VAL  29  28.072  22.289  16.436
  219   HG12  VAL  29          HG12      VAL  29  27.292  23.513  17.437
  220   HG13  VAL  29          HG13      VAL  29  26.378  22.726  16.129
  221   HG21  VAL  29          HG21      VAL  29  26.905  23.328  13.703
  222   HG22  VAL  29          HG22      VAL  29  28.339  24.321  13.353
  223   HG23  VAL  29          HG23      VAL  29  28.539  22.720  14.056
  224    HA   PRO  30           HA       PRO  30  28.165  29.191  14.056
  225    HB2  PRO  30           HB2      PRO  30  30.485  30.092  15.177
  226    HB3  PRO  30           HB3      PRO  30  28.932  30.070  16.056
  227    HG2  PRO  30           HG2      PRO  30  31.131  27.971  16.153
  228    HG3  PRO  30           HG3      PRO  30  30.353  28.825  17.528
  229    HD2  PRO  30           HD2      PRO  30  29.491  26.386  16.727
  230    HD3  PRO  30           HD3      PRO  30  28.326  27.639  17.248
  231    H    HIS  31           H        HIS  31  29.851  26.368  13.678
  232    HA   HIS  31           HA       HIS  31  32.298  27.164  12.504
  233    HB2  HIS  31           HB2      HIS  31  30.852  24.513  12.220
  234    HB3  HIS  31           HB3      HIS  31  32.548  24.814  11.812
  235    HD2  HIS  31           HD2      HIS  31  34.014  25.946  14.011
  236    HE1  HIS  31           HE1      HIS  31  31.466  24.343  17.008
  237    HE2  HIS  31           HE2      HIS  31  33.655  25.554  16.596
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  15.559  13.137  24.236
    2    H2   ALA   1           H2       ALA   1  16.031  14.136  25.453
    3    H3   ALA   1           H3       ALA   1  16.978  13.954  24.120
    4    HA   ALA   1           HA       ALA   1  14.328  15.216  24.187
    5    HB1  ALA   1           HB1      ALA   1  15.750  17.278  23.602
    6    HB2  ALA   1           HB2      ALA   1  15.918  16.659  25.245
    7    HB3  ALA   1           HB3      ALA   1  17.163  16.325  24.034
    8    H    PHE   2           H        PHE   2  14.515  16.808  21.937
    9    HA   PHE   2           HA       PHE   2  14.297  14.887  19.769
   10    HB2  PHE   2           HB2      PHE   2  14.245  17.904  19.740
   11    HB3  PHE   2           HB3      PHE   2  13.756  16.860  18.418
   12    HD1  PHE   2           HD1      PHE   2  12.142  14.781  20.069
   13    HD2  PHE   2           HD2      PHE   2  12.207  19.091  20.063
   14    HE1  PHE   2           HE1      PHE   2   9.807  14.815  20.877
   15    HE2  PHE   2           HE2      PHE   2   9.861  19.126  20.867
   16    HZ   PHE   2           HZ       PHE   2   8.662  16.987  21.283
   17    H    CYS   3           H        CYS   3  16.282  13.920  19.648
   18    HA   CYS   3           HA       CYS   3  18.662  15.309  18.649
   19    HB2  CYS   3           HB2      CYS   3  18.687  13.392  20.218
   20    HB3  CYS   3           HB3      CYS   3  17.938  12.396  18.998
   21    H    ASN   4           H        ASN   4  16.865  16.166  16.869
   22    HA   ASN   4           HA       ASN   4  16.742  14.420  14.503
   23    HB2  ASN   4           HB2      ASN   4  15.949  17.303  15.096
   24    HB3  ASN   4           HB3      ASN   4  16.021  16.694  13.449
   25   HD21  ASN   4          HD21      ASN   4  14.650  14.904  12.828
   26   HD22  ASN   4          HD22      ASN   4  13.138  14.670  13.710
   27    H    LEU   5           H        LEU   5  17.756  15.140  12.471
   28    HA   LEU   5           HA       LEU   5  20.218  16.750  12.777
   29    HB2  LEU   5           HB2      LEU   5  20.699  14.254  13.007
   30    HB3  LEU   5           HB3      LEU   5  20.211  14.071  11.334
   31    HG   LEU   5           HG       LEU   5  22.597  14.112  11.527
   32   HD11  LEU   5          HD11      LEU   5  23.253  15.780   9.950
   33   HD12  LEU   5          HD12      LEU   5  21.630  15.238   9.515
   34   HD13  LEU   5          HD13      LEU   5  21.865  16.805  10.330
   35   HD21  LEU   5          HD21      LEU   5  23.876  15.975  12.388
   36   HD22  LEU   5          HD22      LEU   5  22.387  16.872  12.752
   37   HD23  LEU   5          HD23      LEU   5  22.755  15.378  13.628
   38    H    ARG   6           H        ARG   6  18.665  14.870  10.147
   39    HA   ARG   6           HA       ARG   6  19.101  16.735   8.096
   40    HB2  ARG   6           HB2      ARG   6  18.315  14.263   8.017
   41    HB3  ARG   6           HB3      ARG   6  16.685  14.898   8.255
   42    HG2  ARG   6           HG2      ARG   6  17.226  16.419   6.192
   43    HG3  ARG   6           HG3      ARG   6  18.624  15.368   5.950
   44    HD2  ARG   6           HD2      ARG   6  16.830  14.576   4.533
   45    HD3  ARG   6           HD3      ARG   6  17.023  13.405   5.839
   46    HE   ARG   6           HE       ARG   6  14.903  13.988   6.660
   47   HH11  ARG   6          HH11      ARG   6  15.738  16.531   4.299
   48   HH12  ARG   6          HH12      ARG   6  14.160  17.259   4.537
   49   HH21  ARG   6          HH21      ARG   6  13.035  14.950   6.765
   50   HH22  ARG   6          HH22      ARG   6  12.720  16.441   5.847
   51    H    ARG   7           H        ARG   7  16.316  16.558  10.307
   52    HA   ARG   7           HA       ARG   7  15.011  18.941   9.119
   53    HB2  ARG   7           HB2      ARG   7  14.302  17.203  11.521
   54    HB3  ARG   7           HB3      ARG   7  13.352  18.563  10.913
   55    HG2  ARG   7           HG2      ARG   7  13.161  17.388   8.681
   56    HG3  ARG   7           HG3      ARG   7  14.004  15.998   9.381
   57    HD2  ARG   7           HD2      ARG   7  11.607  15.596   9.432
   58    HD3  ARG   7           HD3      ARG   7  12.219  15.778  11.090
   59    HE   ARG   7           HE       ARG   7  11.390  18.336  10.149
   60   HH11  ARG   7          HH11      ARG   7   9.725  15.319  10.969
   61   HH12  ARG   7          HH12      ARG   7   8.298  16.249  11.453
   62   HH21  ARG   7          HH21      ARG   7   9.692  19.306  11.064
   63   HH22  ARG   7          HH22      ARG   7   8.264  18.338  11.439
   64    H    CYS   8           H        CYS   8  17.020  18.210  11.921
   65    HA   CYS   8           HA       CYS   8  16.575  20.660  13.346
   66    HB2  CYS   8           HB2      CYS   8  17.630  18.726  14.409
   67    HB3  CYS   8           HB3      CYS   8  18.972  18.794  13.255
   68    H    GLU   9           H        GLU   9  18.881  19.831  10.720
   69    HA   GLU   9           HA       GLU   9  20.287  22.251  10.440
   70    HB2  GLU   9           HB2      GLU   9  19.154  20.342   8.369
   71    HB3  GLU   9           HB3      GLU   9  20.237  21.678   7.956
   72    HG2  GLU   9           HG2      GLU   9  22.042  20.757   9.245
   73    HG3  GLU   9           HG3      GLU   9  21.024  19.496   9.922
   74    H    LEU  10           H        LEU  10  16.892  21.645   9.584
   75    HA   LEU  10           HA       LEU  10  16.623  24.062   7.975
   76    HB2  LEU  10           HB2      LEU  10  14.392  22.344   9.095
   77    HB3  LEU  10           HB3      LEU  10  14.348  23.407   7.699
   78    HG   LEU  10           HG       LEU  10  15.885  20.778   7.923
   79   HD11  LEU  10          HD11      LEU  10  13.462  21.545   6.251
   80   HD12  LEU  10          HD12      LEU  10  14.300  19.980   6.233
   81   HD13  LEU  10          HD13      LEU  10  13.453  20.506   7.693
   82   HD21  LEU  10          HD21      LEU  10  17.107  22.347   6.434
   83   HD22  LEU  10          HD22      LEU  10  16.370  21.023   5.533
   84   HD23  LEU  10          HD23      LEU  10  15.607  22.623   5.516
   85    H    SER  11           H        SER  11  16.164  23.271  11.384
   86    HA   SER  11           HA       SER  11  14.872  25.837  12.068
   87    HB2  SER  11           HB2      SER  11  16.259  23.696  13.732
   88    HB3  SER  11           HB3      SER  11  15.547  25.168  14.409
   89    HG   SER  11           HG       SER  11  13.623  24.428  14.136
   90    H    CYS  12           H        CYS  12  18.165  24.438  12.150
   91    HA   CYS  12           HA       CYS  12  19.496  26.773  13.151
   92    HB2  CYS  12           HB2      CYS  12  20.469  24.374  11.559
   93    HB3  CYS  12           HB3      CYS  12  21.518  25.532  12.349
   94    H    ARG  13           H        ARG  13  18.501  25.894   9.898
   95    HA   ARG  13           HA       ARG  13  19.991  27.567   8.248
   96    HB2  ARG  13           HB2      ARG  13  18.225  25.865   7.639
   97    HB3  ARG  13           HB3      ARG  13  16.990  27.053   8.062
   98    HG2  ARG  13           HG2      ARG  13  17.664  28.496   6.225
   99    HG3  ARG  13           HG3      ARG  13  19.136  27.561   5.973
  100    HD2  ARG  13           HD2      ARG  13  17.585  26.969   4.246
  101    HD3  ARG  13           HD3      ARG  13  17.814  25.591   5.326
  102    HE   ARG  13           HE       ARG  13  15.488  27.174   6.066
  103   HH11  ARG  13          HH11      ARG  13  16.544  24.665   3.830
  104   HH12  ARG  13          HH12      ARG  13  14.923  24.230   3.385
  105   HH21  ARG  13          HH21      ARG  13  13.390  26.377   5.592
  106   HH22  ARG  13          HH22      ARG  13  13.219  25.134   4.368
  107    H    SER  14           H        SER  14  17.573  28.614  10.571
  108    HA   SER  14           HA       SER  14  16.852  31.134   9.595
  109    HB2  SER  14           HB2      SER  14  15.937  30.049  11.640
  110    HB3  SER  14           HB3      SER  14  17.444  30.454  12.489
  111    HG   SER  14           HG       SER  14  15.376  32.105  11.542
  112    H    LEU  15           H        LEU  15  19.914  30.255  11.185
  113    HA   LEU  15           HA       LEU  15  20.972  33.026  10.772
  114    HB2  LEU  15           HB2      LEU  15  21.630  31.038  12.969
  115    HB3  LEU  15           HB3      LEU  15  22.375  32.625  12.773
  116    HG   LEU  15           HG       LEU  15  19.414  32.164  13.318
  117   HD11  LEU  15          HD11      LEU  15  19.913  32.923  15.604
  118   HD12  LEU  15          HD12      LEU  15  20.801  31.441  15.218
  119   HD13  LEU  15          HD13      LEU  15  21.648  33.006  15.209
  120   HD21  LEU  15          HD21      LEU  15  21.112  34.700  13.386
  121   HD22  LEU  15          HD22      LEU  15  19.826  34.324  12.216
  122   HD23  LEU  15          HD23      LEU  15  19.419  34.572  13.921
  123    H    GLY  16           H        GLY  16  20.984  30.637   8.973
  124    HA2  GLY  16           HA2      GLY  16  22.427  29.669   7.455
  125    HA3  GLY  16           HA3      GLY  16  23.638  30.870   7.938
  126    H    LEU  17           H        LEU  17  22.317  28.606  10.279
  127    HA   LEU  17           HA       LEU  17  24.985  27.352  10.631
  128    HB2  LEU  17           HB2      LEU  17  22.531  27.164  12.365
  129    HB3  LEU  17           HB3      LEU  17  24.138  26.634  12.813
  130    HG   LEU  17           HG       LEU  17  23.241  29.461  12.303
  131   HD11  LEU  17          HD11      LEU  17  22.091  28.517  14.278
  132   HD12  LEU  17          HD12      LEU  17  23.689  28.232  15.026
  133   HD13  LEU  17          HD13      LEU  17  23.159  29.873  14.656
  134   HD21  LEU  17          HD21      LEU  17  25.709  29.083  12.087
  135   HD22  LEU  17          HD22      LEU  17  25.308  30.130  13.460
  136   HD23  LEU  17          HD23      LEU  17  25.694  28.414  13.748
  137    H    LEU  18           H        LEU  18  24.951  25.074  11.223
  138    HA   LEU  18           HA       LEU  18  22.907  23.404   9.801
  139    HB2  LEU  18           HB2      LEU  18  25.862  22.843  10.235
  140    HB3  LEU  18           HB3      LEU  18  24.697  21.581   9.844
  141    HG   LEU  18           HG       LEU  18  25.254  23.989   8.075
  142   HD11  LEU  18          HD11      LEU  18  26.110  21.079   7.771
  143   HD12  LEU  18          HD12      LEU  18  26.456  22.406   6.641
  144   HD13  LEU  18          HD13      LEU  18  27.184  22.402   8.257
  145   HD21  LEU  18          HD21      LEU  18  22.998  23.117   7.658
  146   HD22  LEU  18          HD22      LEU  18  24.074  22.680   6.334
  147   HD23  LEU  18          HD23      LEU  18  23.649  21.461   7.544
  148    H    GLY  19           H        GLY  19  22.492  21.352  10.931
  149    HA2  GLY  19           HA2      GLY  19  22.382  21.775  13.897
  150    HA3  GLY  19           HA3      GLY  19  21.235  20.825  12.958
  151    H    LYS  20           H        LYS  20  23.285  20.276  15.226
  152    HA   LYS  20           HA       LYS  20  24.140  17.592  14.239
  153    HB2  LYS  20           HB2      LYS  20  25.876  19.388  15.976
  154    HB3  LYS  20           HB3      LYS  20  26.275  17.772  15.402
  155    HG2  LYS  20           HG2      LYS  20  25.975  20.236  13.639
  156    HG3  LYS  20           HG3      LYS  20  27.493  19.593  14.251
  157    HD2  LYS  20           HD2      LYS  20  27.174  17.506  12.979
  158    HD3  LYS  20           HD3      LYS  20  25.612  18.086  12.384
  159    HE2  LYS  20           HE2      LYS  20  26.879  20.148  11.496
  160    HE3  LYS  20           HE3      LYS  20  28.371  19.267  11.857
  161    HZ1  LYS  20           HZ1      LYS  20  26.243  18.447   9.953
  162    HZ2  LYS  20           HZ2      LYS  20  27.774  18.918   9.581
  163    HZ3  LYS  20           HZ3      LYS  20  27.515  17.490  10.354
  164    H    CYS  21           H        CYS  21  23.745  15.958  15.780
  165    HA   CYS  21           HA       CYS  21  22.387  16.811  18.271
  166    HB2  CYS  21           HB2      CYS  21  21.302  15.085  16.974
  167    HB3  CYS  21           HB3      CYS  21  22.741  14.071  17.074
  168    H    ILE  22           H        ILE  22  23.201  16.722  20.228
  169    HA   ILE  22           HA       ILE  22  25.889  15.478  20.647
  170    HB   ILE  22           HB       ILE  22  24.876  17.954  22.067
  171   HG12  ILE  22          HG12      ILE  22  26.924  17.730  19.808
  172   HG13  ILE  22          HG13      ILE  22  25.341  18.501  19.697
  173   HG21  ILE  22          HG21      ILE  22  26.414  16.495  23.367
  174   HG22  ILE  22          HG22      ILE  22  27.582  16.522  22.027
  175   HG23  ILE  22          HG23      ILE  22  27.211  17.996  22.930
  176   HD11  ILE  22          HD11      ILE  22  26.935  20.245  19.915
  177   HD12  ILE  22          HD12      ILE  22  26.068  20.151  21.462
  178   HD13  ILE  22          HD13      ILE  22  27.715  19.487  21.308
  179    H    GLY  23           H        GLY  23  25.318  13.633  21.413
  180    HA2  GLY  23           HA2      GLY  23  24.867  12.040  22.992
  181    HA3  GLY  23           HA3      GLY  23  24.240  13.282  24.092
  182    H    GLU  24           H        GLU  24  22.191  14.313  23.214
  183    HA   GLU  24           HA       GLU  24  20.189  12.513  21.981
  184    HB2  GLU  24           HB2      GLU  24  18.893  12.202  24.045
  185    HB3  GLU  24           HB3      GLU  24  20.496  11.484  24.180
  186    HG2  GLU  24           HG2      GLU  24  21.259  13.507  25.469
  187    HG3  GLU  24           HG3      GLU  24  19.632  14.160  25.367
  188    H    GLU  25           H        GLU  25  21.232  15.450  21.948
  189    HA   GLU  25           HA       GLU  25  18.569  16.707  21.615
  190    HB2  GLU  25           HB2      GLU  25  19.357  17.040  24.001
  191    HB3  GLU  25           HB3      GLU  25  20.754  17.897  23.372
  192    HG2  GLU  25           HG2      GLU  25  19.334  19.654  22.451
  193    HG3  GLU  25           HG3      GLU  25  17.871  18.737  22.866
  194    H    CYS  26           H        CYS  26  18.585  18.088  19.804
  195    HA   CYS  26           HA       CYS  26  21.150  18.328  18.412
  196    HB2  CYS  26           HB2      CYS  26  19.090  17.665  17.215
  197    HB3  CYS  26           HB3      CYS  26  18.500  19.322  17.428
  198    H    LYS  27           H        LYS  27  22.392  19.968  18.080
  199    HA   LYS  27           HA       LYS  27  21.737  22.711  19.096
  200    HB2  LYS  27           HB2      LYS  27  24.292  21.052  19.306
  201    HB3  LYS  27           HB3      LYS  27  24.337  22.813  19.307
  202    HG2  LYS  27           HG2      LYS  27  24.413  22.151  21.536
  203    HG3  LYS  27           HG3      LYS  27  22.816  22.848  21.259
  204    HD2  LYS  27           HD2      LYS  27  21.822  20.573  21.223
  205    HD3  LYS  27           HD3      LYS  27  23.422  19.837  21.211
  206    HE2  LYS  27           HE2      LYS  27  22.440  19.642  23.392
  207    HE3  LYS  27           HE3      LYS  27  23.847  20.714  23.454
  208    HZ1  LYS  27           HZ1      LYS  27  22.542  22.418  24.075
  209    HZ2  LYS  27           HZ2      LYS  27  21.351  22.099  22.985
  210    HZ3  LYS  27           HZ3      LYS  27  21.358  21.305  24.416
  211    H    CYS  28           H        CYS  28  22.746  24.422  17.923
  212    HA   CYS  28           HA       CYS  28  23.155  23.789  15.050
  213    HB2  CYS  28           HB2      CYS  28  22.665  26.388  16.493
  214    HB3  CYS  28           HB3      CYS  28  22.883  26.218  14.739
  215    H    VAL  29           H        VAL  29  24.897  24.796  13.861
  216    HA   VAL  29           HA       VAL  29  27.255  25.576  15.472
  217    HB   VAL  29           HB       VAL  29  28.735  24.134  14.170
  218   HG11  VAL  29          HG11      VAL  29  26.701  22.588  15.832
  219   HG12  VAL  29          HG12      VAL  29  28.385  22.133  15.509
  220   HG13  VAL  29          HG13      VAL  29  28.033  23.566  16.484
  221   HG21  VAL  29          HG21      VAL  29  27.280  23.528  12.258
  222   HG22  VAL  29          HG22      VAL  29  27.914  22.106  13.088
  223   HG23  VAL  29          HG23      VAL  29  26.231  22.605  13.356
  224    HA   PRO  30           HA       PRO  30  27.987  28.266  11.936
  225    HB2  PRO  30           HB2      PRO  30  30.047  29.703  12.917
  226    HB3  PRO  30           HB3      PRO  30  28.434  29.721  13.678
  227    HG2  PRO  30           HG2      PRO  30  30.878  28.138  14.505
  228    HG3  PRO  30           HG3      PRO  30  29.775  29.104  15.527
  229    HD2  PRO  30           HD2      PRO  30  29.599  26.333  15.075
  230    HD3  PRO  30           HD3      PRO  30  28.258  27.372  15.640
  231    H    HIS  31           H        HIS  31  28.377  26.212  10.930
  232    HA   HIS  31           HA       HIS  31  30.802  24.843  10.535
  233    HB2  HIS  31           HB2      HIS  31  29.584  23.600   8.887
  234    HB3  HIS  31           HB3      HIS  31  28.508  23.942  10.246
  235    HD2  HIS  31           HD2      HIS  31  26.649  25.843   9.884
  236    HE1  HIS  31           HE1      HIS  31  28.018  27.240   6.190
  237    HE2  HIS  31           HE2      HIS  31  26.218  27.555   7.951
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1  14.067  12.066  25.037
    2    H2   ALA   1           H2       ALA   1  14.088  13.448  25.919
    3    H3   ALA   1           H3       ALA   1  15.514  12.741  25.465
    4    HA   ALA   1           HA       ALA   1  13.498  13.907  23.682
    5    HB1  ALA   1           HB1      ALA   1  15.204  15.659  23.227
    6    HB2  ALA   1           HB2      ALA   1  14.694  15.626  24.924
    7    HB3  ALA   1           HB3      ALA   1  16.260  14.941  24.459
    8    H    PHE   2           H        PHE   2  14.385  14.142  21.353
    9    HA   PHE   2           HA       PHE   2  16.422  12.091  20.676
   10    HB2  PHE   2           HB2      PHE   2  14.688  10.721  20.309
   11    HB3  PHE   2           HB3      PHE   2  13.521  12.011  20.134
   12    HD1  PHE   2           HD1      PHE   2  12.996  13.023  18.054
   13    HD2  PHE   2           HD2      PHE   2  16.118  10.058  18.302
   14    HE1  PHE   2           HE1      PHE   2  13.186  13.050  15.618
   15    HE2  PHE   2           HE2      PHE   2  16.261  10.012  15.831
   16    HZ   PHE   2           HZ       PHE   2  14.808  11.510  14.465
   17    H    CYS   3           H        CYS   3  17.809  12.633  19.218
   18    HA   CYS   3           HA       CYS   3  17.952  15.311  18.150
   19    HB2  CYS   3           HB2      CYS   3  19.608  12.790  17.886
   20    HB3  CYS   3           HB3      CYS   3  19.998  14.264  17.023
   21    H    ASN   4           H        ASN   4  16.823  15.952  16.345
   22    HA   ASN   4           HA       ASN   4  16.471  14.137  14.050
   23    HB2  ASN   4           HB2      ASN   4  15.123  16.417  14.806
   24    HB3  ASN   4           HB3      ASN   4  16.279  17.119  13.714
   25   HD21  ASN   4          HD21      ASN   4  13.278  14.904  12.202
   26   HD22  ASN   4          HD22      ASN   4  13.308  15.504  13.868
   27    H    LEU   5           H        LEU   5  17.384  15.074  11.866
   28    HA   LEU   5           HA       LEU   5  19.963  16.437  12.210
   29    HB2  LEU   5           HB2      LEU   5  20.017  13.725  11.730
   30    HB3  LEU   5           HB3      LEU   5  20.038  14.357  10.093
   31    HG   LEU   5           HG       LEU   5  22.260  14.062  10.758
   32   HD11  LEU   5          HD11      LEU   5  21.825  16.226   9.582
   33   HD12  LEU   5          HD12      LEU   5  21.804  17.051  11.157
   34   HD13  LEU   5          HD13      LEU   5  23.272  16.261  10.605
   35   HD21  LEU   5          HD21      LEU   5  23.312  14.990  12.756
   36   HD22  LEU   5          HD22      LEU   5  21.775  15.707  13.274
   37   HD23  LEU   5          HD23      LEU   5  21.955  13.944  13.200
   38    H    ARG   6           H        ARG   6  17.829  15.180   9.516
   39    HA   ARG   6           HA       ARG   6  18.335  17.457   7.896
   40    HB2  ARG   6           HB2      ARG   6  17.284  15.238   7.180
   41    HB3  ARG   6           HB3      ARG   6  15.792  15.790   7.925
   42    HG2  ARG   6           HG2      ARG   6  15.490  16.208   5.659
   43    HG3  ARG   6           HG3      ARG   6  15.907  17.800   6.284
   44    HD2  ARG   6           HD2      ARG   6  17.845  15.851   4.940
   45    HD3  ARG   6           HD3      ARG   6  17.023  17.153   4.100
   46    HE   ARG   6           HE       ARG   6  19.300  17.372   5.936
   47   HH11  ARG   6          HH11      ARG   6  20.366  19.364   6.065
   48   HH12  ARG   6          HH12      ARG   6  19.559  20.781   5.376
   49   HH21  ARG   6          HH21      ARG   6  16.759  19.282   4.328
   50   HH22  ARG   6          HH22      ARG   6  17.710  20.752   4.584
   51    H    ARG   7           H        ARG   7  15.516  16.912  10.037
   52    HA   ARG   7           HA       ARG   7  14.443  19.593   9.713
   53    HB2  ARG   7           HB2      ARG   7  13.338  17.414  10.710
   54    HB3  ARG   7           HB3      ARG   7  14.010  18.009  12.233
   55    HG2  ARG   7           HG2      ARG   7  12.825  20.141  11.982
   56    HG3  ARG   7           HG3      ARG   7  12.125  19.601  10.450
   57    HD2  ARG   7           HD2      ARG   7  11.716  18.145  13.104
   58    HD3  ARG   7           HD3      ARG   7  10.646  19.425  12.514
   59    HE   ARG   7           HE       ARG   7  10.968  17.387  10.492
   60   HH11  ARG   7          HH11      ARG   7   9.199  17.831  13.544
   61   HH12  ARG   7          HH12      ARG   7   7.831  16.930  12.879
   62   HH21  ARG   7          HH21      ARG   7   9.227  16.223   9.882
   63   HH22  ARG   7          HH22      ARG   7   7.875  16.035  10.974
   64    H    CYS   8           H        CYS   8  16.982  18.296  11.740
   65    HA   CYS   8           HA       CYS   8  17.093  20.583  13.529
   66    HB2  CYS   8           HB2      CYS   8  18.026  18.464  14.209
   67    HB3  CYS   8           HB3      CYS   8  19.226  18.526  12.913
   68    H    GLU   9           H        GLU   9  19.036  19.649  10.605
   69    HA   GLU   9           HA       GLU   9  20.491  22.086  10.315
   70    HB2  GLU   9           HB2      GLU   9  19.635  19.936   8.348
   71    HB3  GLU   9           HB3      GLU   9  20.662  21.300   7.890
   72    HG2  GLU   9           HG2      GLU   9  22.381  20.625   9.482
   73    HG3  GLU   9           HG3      GLU   9  21.389  19.299  10.068
   74    H    LEU  10           H        LEU  10  17.246  21.196   9.019
   75    HA   LEU  10           HA       LEU  10  16.769  23.660   7.613
   76    HB2  LEU  10           HB2      LEU  10  14.897  21.682   8.981
   77    HB3  LEU  10           HB3      LEU  10  14.305  23.047   8.044
   78    HG   LEU  10           HG       LEU  10  16.139  20.924   6.925
   79   HD11  LEU  10          HD11      LEU  10  14.114  19.978   5.828
   80   HD12  LEU  10          HD12      LEU  10  14.040  19.840   7.585
   81   HD13  LEU  10          HD13      LEU  10  13.098  21.103   6.760
   82   HD21  LEU  10          HD21      LEU  10  14.303  22.963   5.580
   83   HD22  LEU  10          HD22      LEU  10  16.073  23.058   5.648
   84   HD23  LEU  10          HD23      LEU  10  15.300  21.759   4.734
   85    H    SER  11           H        SER  11  16.196  22.766  10.984
   86    HA   SER  11           HA       SER  11  14.939  25.278  11.727
   87    HB2  SER  11           HB2      SER  11  16.371  23.332  13.572
   88    HB3  SER  11           HB3      SER  11  15.214  24.597  14.026
   89    HG   SER  11           HG       SER  11  14.789  22.216  12.546
   90    H    CYS  12           H        CYS  12  18.320  24.107  12.134
   91    HA   CYS  12           HA       CYS  12  19.412  26.496  13.195
   92    HB2  CYS  12           HB2      CYS  12  20.605  24.232  11.564
   93    HB3  CYS  12           HB3      CYS  12  21.568  25.519  12.264
   94    H    ARG  13           H        ARG  13  18.495  25.832   9.868
   95    HA   ARG  13           HA       ARG  13  19.963  27.801   8.475
   96    HB2  ARG  13           HB2      ARG  13  18.259  26.014   7.659
   97    HB3  ARG  13           HB3      ARG  13  17.027  27.232   8.017
   98    HG2  ARG  13           HG2      ARG  13  18.153  28.798   6.420
   99    HG3  ARG  13           HG3      ARG  13  19.375  27.571   6.092
  100    HD2  ARG  13           HD2      ARG  13  17.710  27.526   4.332
  101    HD3  ARG  13           HD3      ARG  13  17.632  26.026   5.269
  102    HE   ARG  13           HE       ARG  13  15.788  28.229   6.027
  103   HH11  ARG  13          HH11      ARG  13  16.072  25.279   4.123
  104   HH12  ARG  13          HH12      ARG  13  14.333  25.129   4.002
  105   HH21  ARG  13          HH21      ARG  13  13.605  27.886   5.873
  106   HH22  ARG  13          HH22      ARG  13  13.016  26.413   5.114
  107    H    SER  14           H        SER  14  17.435  28.269  10.872
  108    HA   SER  14           HA       SER  14  16.625  30.905  10.332
  109    HB2  SER  14           HB2      SER  14  17.104  29.698  13.080
  110    HB3  SER  14           HB3      SER  14  16.029  31.051  12.670
  111    HG   SER  14           HG       SER  14  15.769  28.307  12.196
  112    H    LEU  15           H        LEU  15  19.825  29.883  11.530
  113    HA   LEU  15           HA       LEU  15  20.655  32.759  11.512
  114    HB2  LEU  15           HB2      LEU  15  21.550  30.416  13.221
  115    HB3  LEU  15           HB3      LEU  15  22.514  31.888  13.082
  116    HG   LEU  15           HG       LEU  15  19.628  31.884  14.023
  117   HD11  LEU  15          HD11      LEU  15  20.598  32.091  16.327
  118   HD12  LEU  15          HD12      LEU  15  20.965  30.532  15.573
  119   HD13  LEU  15          HD13      LEU  15  22.205  31.800  15.649
  120   HD21  LEU  15          HD21      LEU  15  20.322  34.097  15.013
  121   HD22  LEU  15          HD22      LEU  15  21.891  33.927  14.215
  122   HD23  LEU  15          HD23      LEU  15  20.404  34.086  13.251
  123    H    GLY  16           H        GLY  16  20.552  30.412   9.458
  124    HA2  GLY  16           HA2      GLY  16  21.797  29.731   7.632
  125    HA3  GLY  16           HA3      GLY  16  22.992  30.978   8.008
  126    H    LEU  17           H        LEU  17  22.124  28.447  10.345
  127    HA   LEU  17           HA       LEU  17  24.933  27.433  10.282
  128    HB2  LEU  17           HB2      LEU  17  22.755  27.060  12.351
  129    HB3  LEU  17           HB3      LEU  17  24.430  26.582  12.539
  130    HG   LEU  17           HG       LEU  17  23.401  29.396  12.238
  131   HD11  LEU  17          HD11      LEU  17  22.603  28.403  14.356
  132   HD12  LEU  17          HD12      LEU  17  24.304  28.083  14.810
  133   HD13  LEU  17          HD13      LEU  17  23.731  29.739  14.598
  134   HD21  LEU  17          HD21      LEU  17  25.793  29.069  11.608
  135   HD22  LEU  17          HD22      LEU  17  25.624  30.040  13.080
  136   HD23  LEU  17          HD23      LEU  17  26.062  28.307  13.201
  137    H    LEU  18           H        LEU  18  25.133  25.160  10.923
  138    HA   LEU  18           HA       LEU  18  23.031  23.345   9.821
  139    HB2  LEU  18           HB2      LEU  18  26.048  22.959   9.825
  140    HB3  LEU  18           HB3      LEU  18  24.899  21.645   9.578
  141    HG   LEU  18           HG       LEU  18  25.100  24.100   7.804
  142   HD11  LEU  18          HD11      LEU  18  26.006  21.225   7.344
  143   HD12  LEU  18          HD12      LEU  18  26.045  22.538   6.144
  144   HD13  LEU  18          HD13      LEU  18  27.063  22.638   7.591
  145   HD21  LEU  18          HD21      LEU  18  23.501  21.525   7.451
  146   HD22  LEU  18          HD22      LEU  18  22.825  23.160   7.705
  147   HD23  LEU  18          HD23      LEU  18  23.698  22.790   6.229
  148    H    GLY  19           H        GLY  19  23.353  21.100  11.095
  149    HA2  GLY  19           HA2      GLY  19  23.266  21.820  14.000
  150    HA3  GLY  19           HA3      GLY  19  21.849  21.149  13.210
  151    H    LYS  20           H        LYS  20  23.850  20.273  15.374
  152    HA   LYS  20           HA       LYS  20  24.266  17.461  14.474
  153    HB2  LYS  20           HB2      LYS  20  26.360  19.320  15.660
  154    HB3  LYS  20           HB3      LYS  20  26.548  17.570  15.474
  155    HG2  LYS  20           HG2      LYS  20  26.233  17.781  13.015
  156    HG3  LYS  20           HG3      LYS  20  26.082  19.545  13.182
  157    HD2  LYS  20           HD2      LYS  20  28.296  19.715  14.109
  158    HD3  LYS  20           HD3      LYS  20  28.501  17.942  13.999
  159    HE2  LYS  20           HE2      LYS  20  28.152  18.089  11.531
  160    HE3  LYS  20           HE3      LYS  20  28.029  19.850  11.662
  161    HZ1  LYS  20           HZ1      LYS  20  30.424  18.267  12.415
  162    HZ2  LYS  20           HZ2      LYS  20  30.286  19.137  11.033
  163    HZ3  LYS  20           HZ3      LYS  20  30.296  19.898  12.489
  164    H    CYS  21           H        CYS  21  24.291  15.949  16.060
  165    HA   CYS  21           HA       CYS  21  22.574  16.512  18.320
  166    HB2  CYS  21           HB2      CYS  21  22.399  14.534  16.851
  167    HB3  CYS  21           HB3      CYS  21  23.977  13.987  17.401
  168    H    ILE  22           H        ILE  22  22.889  16.073  20.466
  169    HA   ILE  22           HA       ILE  22  25.518  15.249  21.556
  170    HB   ILE  22           HB       ILE  22  23.869  17.462  22.821
  171   HG12  ILE  22          HG12      ILE  22  26.390  17.720  21.150
  172   HG13  ILE  22          HG13      ILE  22  24.797  18.421  20.808
  173   HG21  ILE  22          HG21      ILE  22  26.694  16.472  23.426
  174   HG22  ILE  22          HG22      ILE  22  25.752  17.645  24.371
  175   HG23  ILE  22          HG23      ILE  22  25.257  15.963  24.325
  176   HD11  ILE  22          HD11      ILE  22  26.054  20.217  21.631
  177   HD12  ILE  22          HD12      ILE  22  25.076  19.713  23.029
  178   HD13  ILE  22          HD13      ILE  22  26.785  19.247  22.926
  179    H    GLY  23           H        GLY  23  24.445  13.256  21.532
  180    HA2  GLY  23           HA2      GLY  23  23.448  11.423  22.449
  181    HA3  GLY  23           HA3      GLY  23  23.119  12.374  23.894
  182    H    GLU  24           H        GLU  24  21.378  14.149  23.271
  183    HA   GLU  24           HA       GLU  24  19.009  13.021  21.879
  184    HB2  GLU  24           HB2      GLU  24  17.629  13.223  23.805
  185    HB3  GLU  24           HB3      GLU  24  18.936  12.101  24.147
  186    HG2  GLU  24           HG2      GLU  24  20.040  13.773  25.553
  187    HG3  GLU  24           HG3      GLU  24  18.891  15.019  25.051
  188    H    GLU  25           H        GLU  25  20.858  15.753  22.546
  189    HA   GLU  25           HA       GLU  25  18.620  17.643  21.898
  190    HB2  GLU  25           HB2      GLU  25  19.747  17.950  24.100
  191    HB3  GLU  25           HB3      GLU  25  21.279  18.135  23.258
  192    HG2  GLU  25           HG2      GLU  25  20.616  20.313  23.772
  193    HG3  GLU  25           HG3      GLU  25  20.280  20.141  22.054
  194    H    CYS  26           H        CYS  26  18.756  18.612  19.846
  195    HA   CYS  26           HA       CYS  26  21.372  18.342  18.430
  196    HB2  CYS  26           HB2      CYS  26  19.358  17.347  17.377
  197    HB3  CYS  26           HB3      CYS  26  18.723  18.982  17.156
  198    H    LYS  27           H        LYS  27  22.635  19.978  18.041
  199    HA   LYS  27           HA       LYS  27  21.741  22.776  18.629
  200    HB2  LYS  27           HB2      LYS  27  23.942  21.093  19.846
  201    HB3  LYS  27           HB3      LYS  27  24.150  22.848  19.722
  202    HG2  LYS  27           HG2      LYS  27  22.186  23.298  20.981
  203    HG3  LYS  27           HG3      LYS  27  21.644  21.623  20.942
  204    HD2  LYS  27           HD2      LYS  27  23.285  20.912  22.469
  205    HD3  LYS  27           HD3      LYS  27  24.256  22.397  22.274
  206    HE2  LYS  27           HE2      LYS  27  22.474  23.734  23.292
  207    HE3  LYS  27           HE3      LYS  27  21.436  22.309  23.427
  208    HZ1  LYS  27           HZ1      LYS  27  22.956  21.364  25.020
  209    HZ2  LYS  27           HZ2      LYS  27  24.062  22.555  24.773
  210    HZ3  LYS  27           HZ3      LYS  27  22.650  22.917  25.502
  211    H    CYS  28           H        CYS  28  22.820  24.442  17.688
  212    HA   CYS  28           HA       CYS  28  23.577  23.729  14.970
  213    HB2  CYS  28           HB2      CYS  28  23.140  26.446  16.207
  214    HB3  CYS  28           HB3      CYS  28  23.286  26.096  14.484
  215    H    VAL  29           H        VAL  29  25.289  24.824  13.759
  216    HA   VAL  29           HA       VAL  29  27.703  25.490  15.350
  217    HB   VAL  29           HB       VAL  29  29.081  24.003  13.942
  218   HG11  VAL  29          HG11      VAL  29  27.056  22.543  15.677
  219   HG12  VAL  29          HG12      VAL  29  28.673  21.974  15.225
  220   HG13  VAL  29          HG13      VAL  29  28.508  23.407  16.243
  221   HG21  VAL  29          HG21      VAL  29  28.138  22.060  12.829
  222   HG22  VAL  29          HG22      VAL  29  26.488  22.589  13.203
  223   HG23  VAL  29          HG23      VAL  29  27.502  23.521  12.076
  224    HA   PRO  30           HA       PRO  30  28.410  28.375  11.991
  225    HB2  PRO  30           HB2      PRO  30  30.856  29.314  12.660
  226    HB3  PRO  30           HB3      PRO  30  29.442  29.571  13.728
  227    HG2  PRO  30           HG2      PRO  30  31.585  27.428  13.949
  228    HG3  PRO  30           HG3      PRO  30  30.978  28.520  15.234
  229    HD2  PRO  30           HD2      PRO  30  30.050  25.955  14.839
  230    HD3  PRO  30           HD3      PRO  30  29.032  27.247  15.513
  231    H    HIS  31           H        HIS  31  29.934  25.420  12.314
  232    HA   HIS  31           HA       HIS  31  32.084  25.558  10.479
  233    HB2  HIS  31           HB2      HIS  31  30.529  23.183  11.543
  234    HB3  HIS  31           HB3      HIS  31  32.040  23.072  10.635
  235    HD2  HIS  31           HD2      HIS  31  34.161  24.580  11.763
  236    HE1  HIS  31           HE1      HIS  31  32.656  24.388  15.728
  237    HE2  HIS  31           HE2      HIS  31  34.723  24.880  14.318
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1  12.347  11.181  24.629
    2    H2   ALA   1           H2       ALA   1  13.627  12.167  24.342
    3    H3   ALA   1           H3       ALA   1  13.628  10.623  23.762
    4    HA   ALA   1           HA       ALA   1  11.739  11.118  22.359
    5    HB1  ALA   1           HB1      ALA   1  12.226  13.994  23.257
    6    HB2  ALA   1           HB2      ALA   1  11.094  13.463  21.994
    7    HB3  ALA   1           HB3      ALA   1  10.811  13.004  23.669
    8    H    PHE   2           H        PHE   2  12.129  11.490  20.222
    9    HA   PHE   2           HA       PHE   2  14.504  11.051  19.175
   10    HB2  PHE   2           HB2      PHE   2  11.993  11.343  18.257
   11    HB3  PHE   2           HB3      PHE   2  12.638  12.842  17.620
   12    HD1  PHE   2           HD1      PHE   2  12.845   9.171  17.643
   13    HD2  PHE   2           HD2      PHE   2  14.302  12.771  15.773
   14    HE1  PHE   2           HE1      PHE   2  13.862   7.820  15.865
   15    HE2  PHE   2           HE2      PHE   2  15.344  11.411  13.984
   16    HZ   PHE   2           HZ       PHE   2  15.131   8.926  14.012
   17    H    CYS   3           H        CYS   3  16.372  11.998  18.676
   18    HA   CYS   3           HA       CYS   3  16.733  14.945  18.840
   19    HB2  CYS   3           HB2      CYS   3  18.325  13.224  19.857
   20    HB3  CYS   3           HB3      CYS   3  18.753  12.763  18.210
   21    H    ASN   4           H        ASN   4  16.620  16.177  16.906
   22    HA   ASN   4           HA       ASN   4  16.134  14.617  14.439
   23    HB2  ASN   4           HB2      ASN   4  15.612  17.490  15.266
   24    HB3  ASN   4           HB3      ASN   4  15.429  16.931  13.601
   25   HD21  ASN   4          HD21      ASN   4  12.602  14.858  14.239
   26   HD22  ASN   4          HD22      ASN   4  13.905  15.234  13.130
   27    H    LEU   5           H        LEU   5  17.120  15.054  12.464
   28    HA   LEU   5           HA       LEU   5  19.629  16.652  12.522
   29    HB2  LEU   5           HB2      LEU   5  19.866  14.024  12.744
   30    HB3  LEU   5           HB3      LEU   5  19.557  14.034  11.024
   31    HG   LEU   5           HG       LEU   5  21.899  13.959  11.364
   32   HD11  LEU   5          HD11      LEU   5  21.364  16.874  10.693
   33   HD12  LEU   5          HD12      LEU   5  22.777  15.907  10.255
   34   HD13  LEU   5          HD13      LEU   5  21.200  15.522   9.545
   35   HD21  LEU   5          HD21      LEU   5  23.203  15.536  12.666
   36   HD22  LEU   5          HD22      LEU   5  21.748  16.454  13.106
   37   HD23  LEU   5          HD23      LEU   5  21.966  14.790  13.692
   38    H    ARG   6           H        ARG   6  17.709  14.771  10.084
   39    HA   ARG   6           HA       ARG   6  17.957  16.748   8.069
   40    HB2  ARG   6           HB2      ARG   6  16.135  15.560   6.901
   41    HB3  ARG   6           HB3      ARG   6  17.411  14.493   7.494
   42    HG2  ARG   6           HG2      ARG   6  15.984  13.952   9.476
   43    HG3  ARG   6           HG3      ARG   6  14.665  14.884   8.758
   44    HD2  ARG   6           HD2      ARG   6  16.010  12.472   7.457
   45    HD3  ARG   6           HD3      ARG   6  14.601  12.393   8.525
   46    HE   ARG   6           HE       ARG   6  14.571  14.010   6.011
   47   HH11  ARG   6          HH11      ARG   6  13.166  11.285   7.713
   48   HH12  ARG   6          HH12      ARG   6  11.604  11.501   6.923
   49   HH21  ARG   6          HH21      ARG   6  12.710  14.106   4.956
   50   HH22  ARG   6          HH22      ARG   6  11.441  12.927   5.216
   51    H    ARG   7           H        ARG   7  15.392  16.548  10.558
   52    HA   ARG   7           HA       ARG   7  14.204  19.084   9.590
   53    HB2  ARG   7           HB2      ARG   7  13.686  17.336  12.024
   54    HB3  ARG   7           HB3      ARG   7  12.965  18.934  11.839
   55    HG2  ARG   7           HG2      ARG   7  11.939  18.294   9.713
   56    HG3  ARG   7           HG3      ARG   7  12.647  16.678   9.820
   57    HD2  ARG   7           HD2      ARG   7  11.323  16.172  11.816
   58    HD3  ARG   7           HD3      ARG   7  10.775  17.854  11.911
   59    HE   ARG   7           HE       ARG   7  10.137  16.267   9.471
   60   HH11  ARG   7          HH11      ARG   7   8.812  17.627  12.433
   61   HH12  ARG   7          HH12      ARG   7   7.267  17.954  11.700
   62   HH21  ARG   7          HH21      ARG   7   8.103  16.693   8.622
   63   HH22  ARG   7          HH22      ARG   7   6.854  17.355   9.666
   64    H    CYS   8           H        CYS   8  16.547  18.194  12.120
   65    HA   CYS   8           HA       CYS   8  16.576  20.754  13.398
   66    HB2  CYS   8           HB2      CYS   8  17.550  18.788  14.503
   67    HB3  CYS   8           HB3      CYS   8  18.766  18.664  13.215
   68    H    GLU   9           H        GLU   9  18.645  19.557  10.650
   69    HA   GLU   9           HA       GLU   9  20.302  21.836  10.436
   70    HB2  GLU   9           HB2      GLU   9  19.294  19.847   8.370
   71    HB3  GLU   9           HB3      GLU   9  20.362  21.182   7.930
   72    HG2  GLU   9           HG2      GLU   9  22.037  20.416   9.590
   73    HG3  GLU   9           HG3      GLU   9  21.020  19.035   9.982
   74    H    LEU  10           H        LEU  10  16.958  21.475   9.330
   75    HA   LEU  10           HA       LEU  10  16.869  23.970   7.830
   76    HB2  LEU  10           HB2      LEU  10  14.599  22.307   8.992
   77    HB3  LEU  10           HB3      LEU  10  14.456  23.554   7.760
   78    HG   LEU  10           HG       LEU  10  15.953  20.923   7.440
   79   HD11  LEU  10          HD11      LEU  10  13.282  21.826   6.293
   80   HD12  LEU  10          HD12      LEU  10  14.104  20.291   5.949
   81   HD13  LEU  10          HD13      LEU  10  13.507  20.626   7.581
   82   HD21  LEU  10          HD21      LEU  10  15.308  23.113   5.421
   83   HD22  LEU  10          HD22      LEU  10  16.928  22.654   6.003
   84   HD23  LEU  10          HD23      LEU  10  15.992  21.521   5.022
   85    H    SER  11           H        SER  11  16.341  23.127  11.206
   86    HA   SER  11           HA       SER  11  15.196  25.723  11.980
   87    HB2  SER  11           HB2      SER  11  14.902  23.692  13.342
   88    HB3  SER  11           HB3      SER  11  16.636  23.642  13.678
   89    HG   SER  11           HG       SER  11  15.358  24.629  15.316
   90    H    CYS  12           H        CYS  12  18.460  24.215  12.182
   91    HA   CYS  12           HA       CYS  12  19.836  26.499  13.104
   92    HB2  CYS  12           HB2      CYS  12  20.797  24.246  11.292
   93    HB3  CYS  12           HB3      CYS  12  21.833  25.353  12.176
   94    H    ARG  13           H        ARG  13  18.991  25.630   9.758
   95    HA   ARG  13           HA       ARG  13  20.360  27.648   8.347
   96    HB2  ARG  13           HB2      ARG  13  19.119  25.653   7.454
   97    HB3  ARG  13           HB3      ARG  13  17.601  26.515   7.729
   98    HG2  ARG  13           HG2      ARG  13  18.251  28.234   6.095
   99    HG3  ARG  13           HG3      ARG  13  19.872  27.533   5.997
  100    HD2  ARG  13           HD2      ARG  13  18.688  26.854   4.047
  101    HD3  ARG  13           HD3      ARG  13  18.892  25.427   5.075
  102    HE   ARG  13           HE       ARG  13  16.383  26.486   5.768
  103   HH11  ARG  13          HH11      ARG  13  17.744  25.090   2.846
  104   HH12  ARG  13          HH12      ARG  13  16.173  25.093   2.064
  105   HH21  ARG  13          HH21      ARG  13  14.463  26.128   4.856
  106   HH22  ARG  13          HH22      ARG  13  14.337  25.324   3.297
  107    H    SER  14           H        SER  14  17.578  28.073  10.460
  108    HA   SER  14           HA       SER  14  16.652  30.608   9.539
  109    HB2  SER  14           HB2      SER  14  15.525  29.120  11.220
  110    HB3  SER  14           HB3      SER  14  16.764  29.592  12.401
  111    HG   SER  14           HG       SER  14  14.604  31.007  11.382
  112    H    LEU  15           H        LEU  15  19.576  29.787  11.424
  113    HA   LEU  15           HA       LEU  15  20.337  32.675  11.508
  114    HB2  LEU  15           HB2      LEU  15  21.129  30.344  13.290
  115    HB3  LEU  15           HB3      LEU  15  21.792  31.973  13.419
  116    HG   LEU  15           HG       LEU  15  18.869  31.232  13.860
  117   HD11  LEU  15          HD11      LEU  15  20.347  30.286  15.591
  118   HD12  LEU  15          HD12      LEU  15  21.086  31.885  15.850
  119   HD13  LEU  15          HD13      LEU  15  19.376  31.611  16.245
  120   HD21  LEU  15          HD21      LEU  15  20.389  33.831  14.372
  121   HD22  LEU  15          HD22      LEU  15  19.117  33.583  13.153
  122   HD23  LEU  15          HD23      LEU  15  18.720  33.493  14.868
  123    H    GLY  16           H        GLY  16  20.511  30.584   9.363
  124    HA2  GLY  16           HA2      GLY  16  21.885  29.866   7.710
  125    HA3  GLY  16           HA3      GLY  16  23.085  31.031   8.250
  126    H    LEU  17           H        LEU  17  22.281  28.813  10.738
  127    HA   LEU  17           HA       LEU  17  24.993  27.774  10.792
  128    HB2  LEU  17           HB2      LEU  17  22.609  27.103  12.531
  129    HB3  LEU  17           HB3      LEU  17  24.279  26.725  12.918
  130    HG   LEU  17           HG       LEU  17  23.083  29.457  12.631
  131   HD11  LEU  17          HD11      LEU  17  23.103  29.712  15.029
  132   HD12  LEU  17          HD12      LEU  17  22.096  28.331  14.587
  133   HD13  LEU  17          HD13      LEU  17  23.744  28.080  15.240
  134   HD21  LEU  17          HD21      LEU  17  25.677  28.491  13.851
  135   HD22  LEU  17          HD22      LEU  17  25.530  29.374  12.299
  136   HD23  LEU  17          HD23      LEU  17  25.130  30.197  13.815
  137    H    LEU  18           H        LEU  18  25.399  25.568  11.338
  138    HA   LEU  18           HA       LEU  18  23.962  23.537   9.715
  139    HB2  LEU  18           HB2      LEU  18  26.338  23.982   9.156
  140    HB3  LEU  18           HB3      LEU  18  26.795  23.703  10.832
  141    HG   LEU  18           HG       LEU  18  26.084  21.359  10.654
  142   HD11  LEU  18          HD11      LEU  18  25.535  22.106   7.744
  143   HD12  LEU  18          HD12      LEU  18  25.606  20.447   8.354
  144   HD13  LEU  18          HD13      LEU  18  24.331  21.519   8.912
  145   HD21  LEU  18          HD21      LEU  18  27.896  20.619   9.140
  146   HD22  LEU  18          HD22      LEU  18  27.984  22.247   8.448
  147   HD23  LEU  18          HD23      LEU  18  28.418  21.978  10.150
  148    H    GLY  19           H        GLY  19  23.702  21.362  10.930
  149    HA2  GLY  19           HA2      GLY  19  23.456  21.743  13.898
  150    HA3  GLY  19           HA3      GLY  19  22.150  21.071  12.947
  151    H    LYS  20           H        LYS  20  23.845  20.001  15.209
  152    HA   LYS  20           HA       LYS  20  24.163  17.249  14.136
  153    HB2  LYS  20           HB2      LYS  20  26.382  18.746  15.617
  154    HB3  LYS  20           HB3      LYS  20  26.260  16.997  15.562
  155    HG2  LYS  20           HG2      LYS  20  27.643  17.192  13.854
  156    HG3  LYS  20           HG3      LYS  20  26.155  17.366  12.927
  157    HD2  LYS  20           HD2      LYS  20  26.483  19.909  13.132
  158    HD3  LYS  20           HD3      LYS  20  28.046  19.576  13.880
  159    HE2  LYS  20           HE2      LYS  20  27.173  18.681  11.089
  160    HE3  LYS  20           HE3      LYS  20  28.224  20.058  11.457
  161    HZ1  LYS  20           HZ1      LYS  20  29.568  18.182  10.890
  162    HZ2  LYS  20           HZ2      LYS  20  29.784  18.510  12.482
  163    HZ3  LYS  20           HZ3      LYS  20  28.867  17.220  12.016
  164    H    CYS  21           H        CYS  21  23.889  15.593  15.704
  165    HA   CYS  21           HA       CYS  21  22.398  16.455  18.109
  166    HB2  CYS  21           HB2      CYS  21  21.577  14.575  16.673
  167    HB3  CYS  21           HB3      CYS  21  22.986  13.638  17.208
  168    H    ILE  22           H        ILE  22  23.372  16.829  20.025
  169    HA   ILE  22           HA       ILE  22  26.142  15.860  20.441
  170    HB   ILE  22           HB       ILE  22  24.492  17.662  22.209
  171   HG12  ILE  22          HG12      ILE  22  24.650  18.802  20.113
  172   HG13  ILE  22          HG13      ILE  22  25.743  19.547  21.258
  173   HG21  ILE  22          HG21      ILE  22  27.463  17.053  22.120
  174   HG22  ILE  22          HG22      ILE  22  26.730  18.356  23.075
  175   HG23  ILE  22          HG23      ILE  22  26.331  16.675  23.433
  176   HD11  ILE  22          HD11      ILE  22  26.522  17.718  18.962
  177   HD12  ILE  22          HD12      ILE  22  26.814  19.448  19.090
  178   HD13  ILE  22          HD13      ILE  22  27.675  18.336  20.174
  179    H    GLY  23           H        GLY  23  23.265  15.907  22.558
  180    HA2  GLY  23           HA2      GLY  23  23.704  13.085  23.381
  181    HA3  GLY  23           HA3      GLY  23  23.809  14.345  24.613
  182    H    GLU  24           H        GLU  24  21.738  13.025  22.079
  183    HA   GLU  24           HA       GLU  24  19.539  13.018  21.653
  184    HB2  GLU  24           HB2      GLU  24  19.099  13.058  24.651
  185    HB3  GLU  24           HB3      GLU  24  17.957  12.568  23.403
  186    HG2  GLU  24           HG2      GLU  24  18.774  10.528  24.121
  187    HG3  GLU  24           HG3      GLU  24  19.716  10.822  22.666
  188    H    GLU  25           H        GLU  25  20.889  15.629  21.893
  189    HA   GLU  25           HA       GLU  25  18.523  17.162  21.184
  190    HB2  GLU  25           HB2      GLU  25  18.774  17.791  23.556
  191    HB3  GLU  25           HB3      GLU  25  20.464  18.199  23.268
  192    HG2  GLU  25           HG2      GLU  25  19.329  20.243  23.303
  193    HG3  GLU  25           HG3      GLU  25  19.675  19.979  21.610
  194    H    CYS  26           H        CYS  26  18.910  18.162  19.343
  195    HA   CYS  26           HA       CYS  26  21.532  18.271  18.155
  196    HB2  CYS  26           HB2      CYS  26  19.420  17.752  16.951
  197    HB3  CYS  26           HB3      CYS  26  18.896  19.410  17.230
  198    H    LYS  27           H        LYS  27  22.982  19.876  18.096
  199    HA   LYS  27           HA       LYS  27  22.331  22.582  19.158
  200    HB2  LYS  27           HB2      LYS  27  24.028  21.335  20.409
  201    HB3  LYS  27           HB3      LYS  27  24.865  20.900  18.908
  202    HG2  LYS  27           HG2      LYS  27  25.425  23.254  18.505
  203    HG3  LYS  27           HG3      LYS  27  24.589  23.721  20.001
  204    HD2  LYS  27           HD2      LYS  27  26.212  22.351  21.302
  205    HD3  LYS  27           HD3      LYS  27  27.014  21.854  19.781
  206    HE2  LYS  27           HE2      LYS  27  27.387  24.212  19.202
  207    HE3  LYS  27           HE3      LYS  27  26.571  24.707  20.695
  208    HZ1  LYS  27           HZ1      LYS  27  29.204  23.356  20.485
  209    HZ2  LYS  27           HZ2      LYS  27  28.858  24.797  21.166
  210    HZ3  LYS  27           HZ3      LYS  27  28.354  23.403  21.892
  211    H    CYS  28           H        CYS  28  22.538  24.295  17.784
  212    HA   CYS  28           HA       CYS  28  23.469  23.808  15.036
  213    HB2  CYS  28           HB2      CYS  28  22.436  26.332  16.300
  214    HB3  CYS  28           HB3      CYS  28  22.808  26.099  14.598
  215    H    VAL  29           H        VAL  29  25.186  24.910  14.046
  216    HA   VAL  29           HA       VAL  29  27.282  25.969  15.866
  217    HB   VAL  29           HB       VAL  29  28.942  24.427  14.955
  218   HG11  VAL  29          HG11      VAL  29  28.391  22.523  16.317
  219   HG12  VAL  29          HG12      VAL  29  27.831  23.991  17.124
  220   HG13  VAL  29          HG13      VAL  29  26.664  22.928  16.298
  221   HG21  VAL  29          HG21      VAL  29  27.873  23.700  12.858
  222   HG22  VAL  29          HG22      VAL  29  28.263  22.317  13.876
  223   HG23  VAL  29          HG23      VAL  29  26.586  22.878  13.780
  224    HA   PRO  30           HA       PRO  30  27.957  28.679  12.498
  225    HB2  PRO  30           HB2      PRO  30  30.065  30.112  13.368
  226    HB3  PRO  30           HB3      PRO  30  28.545  29.996  14.307
  227    HG2  PRO  30           HG2      PRO  30  31.073  28.358  14.698
  228    HG3  PRO  30           HG3      PRO  30  30.158  29.298  15.923
  229    HD2  PRO  30           HD2      PRO  30  29.761  26.614  15.503
  230    HD3  PRO  30           HD3      PRO  30  28.463  27.725  16.043
  231    H    HIS  31           H        HIS  31  29.720  25.970  12.613
  232    HA   HIS  31           HA       HIS  31  32.093  26.157  11.295
  233    HB2  HIS  31           HB2      HIS  31  29.912  24.095  10.952
  234    HB3  HIS  31           HB3      HIS  31  31.498  23.942  10.195
  235    HD2  HIS  31           HD2      HIS  31  33.666  24.141  11.969
  236    HE1  HIS  31           HE1      HIS  31  31.485  22.633  15.300
  237    HE2  HIS  31           HE2      HIS  31  33.827  23.061  14.388
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  12.323  12.054  23.190
    2    H2   ALA   1           H2       ALA   1  11.988  10.552  22.612
    3    H3   ALA   1           H3       ALA   1  10.806  11.705  22.675
    4    HA   ALA   1           HA       ALA   1  11.569  11.368  20.440
    5    HB1  ALA   1           HB1      ALA   1  11.994  13.730  19.902
    6    HB2  ALA   1           HB2      ALA   1  10.708  13.567  21.104
    7    HB3  ALA   1           HB3      ALA   1  12.329  14.082  21.619
    8    H    PHE   2           H        PHE   2  13.209  10.743  19.146
    9    HA   PHE   2           HA       PHE   2  15.995  10.746  20.078
   10    HB2  PHE   2           HB2      PHE   2  14.989  10.126  17.291
   11    HB3  PHE   2           HB3      PHE   2  16.482   9.572  18.056
   12    HD1  PHE   2           HD1      PHE   2  15.609   8.410  20.617
   13    HD2  PHE   2           HD2      PHE   2  13.743   8.246  16.740
   14    HE1  PHE   2           HE1      PHE   2  14.371   6.353  21.275
   15    HE2  PHE   2           HE2      PHE   2  12.541   6.187  17.410
   16    HZ   PHE   2           HZ       PHE   2  12.837   5.242  19.688
   17    H    CYS   3           H        CYS   3  17.772  11.760  18.884
   18    HA   CYS   3           HA       CYS   3  17.380  14.514  18.247
   19    HB2  CYS   3           HB2      CYS   3  19.495  13.502  19.053
   20    HB3  CYS   3           HB3      CYS   3  19.641  12.626  17.531
   21    H    ASN   4           H        ASN   4  16.805  15.578  16.339
   22    HA   ASN   4           HA       ASN   4  16.641  13.983  13.812
   23    HB2  ASN   4           HB2      ASN   4  14.903  15.977  14.883
   24    HB3  ASN   4           HB3      ASN   4  15.682  16.711  13.510
   25   HD21  ASN   4          HD21      ASN   4  12.883  13.909  12.921
   26   HD22  ASN   4          HD22      ASN   4  13.372  14.366  14.544
   27    H    LEU   5           H        LEU   5  17.553  14.946  11.825
   28    HA   LEU   5           HA       LEU   5  19.774  16.877  12.255
   29    HB2  LEU   5           HB2      LEU   5  19.716  14.216  10.758
   30    HB3  LEU   5           HB3      LEU   5  20.810  15.498  10.376
   31    HG   LEU   5           HG       LEU   5  22.035  13.989  11.625
   32   HD11  LEU   5          HD11      LEU   5  22.382  16.351  12.345
   33   HD12  LEU   5          HD12      LEU   5  21.301  16.053  13.725
   34   HD13  LEU   5          HD13      LEU   5  22.815  15.146  13.573
   35   HD21  LEU   5          HD21      LEU   5  20.141  12.712  12.613
   36   HD22  LEU   5          HD22      LEU   5  21.486  12.996  13.733
   37   HD23  LEU   5          HD23      LEU   5  20.015  13.950  13.881
   38    H    ARG   6           H        ARG   6  18.022  15.184   9.606
   39    HA   ARG   6           HA       ARG   6  18.240  17.399   7.793
   40    HB2  ARG   6           HB2      ARG   6  16.439  14.937   7.783
   41    HB3  ARG   6           HB3      ARG   6  16.472  16.138   6.484
   42    HG2  ARG   6           HG2      ARG   6  18.935  15.765   6.226
   43    HG3  ARG   6           HG3      ARG   6  18.842  14.439   7.390
   44    HD2  ARG   6           HD2      ARG   6  17.235  14.598   4.800
   45    HD3  ARG   6           HD3      ARG   6  18.795  13.778   4.948
   46    HE   ARG   6           HE       ARG   6  17.462  12.491   6.887
   47   HH11  ARG   6          HH11      ARG   6  16.492  13.073   3.497
   48   HH12  ARG   6          HH12      ARG   6  15.574  11.580   3.519
   49   HH21  ARG   6          HH21      ARG   6  16.369  10.548   6.569
   50   HH22  ARG   6          HH22      ARG   6  15.523  10.299   5.054
   51    H    ARG   7           H        ARG   7  15.573  16.508  10.037
   52    HA   ARG   7           HA       ARG   7  14.013  18.894   9.244
   53    HB2  ARG   7           HB2      ARG   7  13.669  17.096  11.654
   54    HB3  ARG   7           HB3      ARG   7  12.534  18.255  11.067
   55    HG2  ARG   7           HG2      ARG   7  13.357  15.688   9.614
   56    HG3  ARG   7           HG3      ARG   7  11.901  15.933  10.552
   57    HD2  ARG   7           HD2      ARG   7  11.283  17.789   8.881
   58    HD3  ARG   7           HD3      ARG   7  12.596  17.162   7.868
   59    HE   ARG   7           HE       ARG   7  10.261  15.509   8.836
   60   HH11  ARG   7          HH11      ARG   7  11.841  16.568   5.886
   61   HH12  ARG   7          HH12      ARG   7  11.309  15.103   5.074
   62   HH21  ARG   7          HH21      ARG   7   9.520  13.880   7.600
   63   HH22  ARG   7          HH22      ARG   7  10.116  13.721   5.944
   64    H    CYS   8           H        CYS   8  16.343  18.051  11.809
   65    HA   CYS   8           HA       CYS   8  15.908  20.354  13.457
   66    HB2  CYS   8           HB2      CYS   8  17.210  18.516  14.313
   67    HB3  CYS   8           HB3      CYS   8  18.379  18.667  12.994
   68    H    GLU   9           H        GLU   9  18.146  19.912  10.648
   69    HA   GLU   9           HA       GLU   9  19.415  22.402  10.764
   70    HB2  GLU   9           HB2      GLU   9  18.747  20.649   8.365
   71    HB3  GLU   9           HB3      GLU   9  19.665  22.141   8.247
   72    HG2  GLU   9           HG2      GLU   9  21.079  20.962  10.230
   73    HG3  GLU   9           HG3      GLU   9  20.495  19.521   9.403
   74    H    LEU  10           H        LEU  10  16.095  21.894   9.813
   75    HA   LEU  10           HA       LEU  10  15.719  24.318   8.269
   76    HB2  LEU  10           HB2      LEU  10  13.727  22.800  10.002
   77    HB3  LEU  10           HB3      LEU  10  13.324  23.982   8.763
   78    HG   LEU  10           HG       LEU  10  14.692  21.306   8.269
   79   HD11  LEU  10          HD11      LEU  10  12.544  20.654   7.271
   80   HD12  LEU  10          HD12      LEU  10  12.330  21.105   8.971
   81   HD13  LEU  10          HD13      LEU  10  11.855  22.239   7.688
   82   HD21  LEU  10          HD21      LEU  10  13.688  23.474   6.364
   83   HD22  LEU  10          HD22      LEU  10  15.362  22.905   6.550
   84   HD23  LEU  10          HD23      LEU  10  14.139  21.840   5.849
   85    H    SER  11           H        SER  11  15.983  23.759  11.701
   86    HA   SER  11           HA       SER  11  15.124  26.531  12.363
   87    HB2  SER  11           HB2      SER  11  14.719  24.602  13.916
   88    HB3  SER  11           HB3      SER  11  16.470  24.508  14.190
   89    HG   SER  11           HG       SER  11  16.429  26.481  15.168
   90    H    CYS  12           H        CYS  12  18.147  24.621  12.224
   91    HA   CYS  12           HA       CYS  12  19.861  26.719  13.078
   92    HB2  CYS  12           HB2      CYS  12  20.469  24.269  11.368
   93    HB3  CYS  12           HB3      CYS  12  21.660  25.235  12.198
   94    H    ARG  13           H        ARG  13  19.052  25.712   9.729
   95    HA   ARG  13           HA       ARG  13  20.989  27.404   8.458
   96    HB2  ARG  13           HB2      ARG  13  18.449  26.064   7.466
   97    HB3  ARG  13           HB3      ARG  13  19.556  26.961   6.416
   98    HG2  ARG  13           HG2      ARG  13  21.410  25.487   6.979
   99    HG3  ARG  13           HG3      ARG  13  20.421  24.587   8.134
  100    HD2  ARG  13           HD2      ARG  13  18.895  23.925   6.281
  101    HD3  ARG  13           HD3      ARG  13  19.941  24.795   5.138
  102    HE   ARG  13           HE       ARG  13  21.374  22.815   6.752
  103   HH11  ARG  13          HH11      ARG  13  19.475  23.109   3.797
  104   HH12  ARG  13          HH12      ARG  13  20.223  21.648   3.135
  105   HH21  ARG  13          HH21      ARG  13  22.132  20.945   5.830
  106   HH22  ARG  13          HH22      ARG  13  21.634  20.548   4.185
  107    H    SER  14           H        SER  14  17.930  28.249   9.856
  108    HA   SER  14           HA       SER  14  17.486  30.687   8.382
  109    HB2  SER  14           HB2      SER  14  15.838  29.467   9.863
  110    HB3  SER  14           HB3      SER  14  16.683  30.158  11.261
  111    HG   SER  14           HG       SER  14  15.968  32.150  10.722
  112    H    LEU  15           H        LEU  15  19.778  29.848  10.925
  113    HA   LEU  15           HA       LEU  15  20.720  32.673  11.094
  114    HB2  LEU  15           HB2      LEU  15  21.117  30.288  12.933
  115    HB3  LEU  15           HB3      LEU  15  21.805  31.884  13.197
  116    HG   LEU  15           HG       LEU  15  18.837  31.204  13.171
  117   HD11  LEU  15          HD11      LEU  15  20.047  30.304  15.130
  118   HD12  LEU  15          HD12      LEU  15  20.710  31.920  15.470
  119   HD13  LEU  15          HD13      LEU  15  18.962  31.620  15.592
  120   HD21  LEU  15          HD21      LEU  15  20.272  33.818  13.826
  121   HD22  LEU  15          HD22      LEU  15  19.155  33.523  12.465
  122   HD23  LEU  15          HD23      LEU  15  18.551  33.488  14.123
  123    H    GLY  16           H        GLY  16  21.200  30.380   9.031
  124    HA2  GLY  16           HA2      GLY  16  22.901  29.741   7.640
  125    HA3  GLY  16           HA3      GLY  16  23.945  30.934   8.413
  126    H    LEU  17           H        LEU  17  22.497  28.381  10.359
  127    HA   LEU  17           HA       LEU  17  25.204  27.353  10.986
  128    HB2  LEU  17           HB2      LEU  17  22.579  26.928  12.416
  129    HB3  LEU  17           HB3      LEU  17  24.162  26.519  13.043
  130    HG   LEU  17           HG       LEU  17  23.108  29.269  12.428
  131   HD11  LEU  17          HD11      LEU  17  23.458  28.095  15.189
  132   HD12  LEU  17          HD12      LEU  17  22.853  29.696  14.770
  133   HD13  LEU  17          HD13      LEU  17  21.891  28.283  14.335
  134   HD21  LEU  17          HD21      LEU  17  25.024  30.046  13.805
  135   HD22  LEU  17          HD22      LEU  17  25.542  28.350  13.975
  136   HD23  LEU  17          HD23      LEU  17  25.564  29.155  12.370
  137    H    LEU  18           H        LEU  18  25.281  25.089  11.695
  138    HA   LEU  18           HA       LEU  18  23.875  23.106   9.945
  139    HB2  LEU  18           HB2      LEU  18  26.251  23.087   9.496
  140    HB3  LEU  18           HB3      LEU  18  26.639  23.206  11.206
  141    HG   LEU  18           HG       LEU  18  25.776  20.900  11.578
  142   HD11  LEU  18          HD11      LEU  18  25.418  19.415   9.653
  143   HD12  LEU  18          HD12      LEU  18  24.242  20.730   9.599
  144   HD13  LEU  18          HD13      LEU  18  25.659  20.766   8.534
  145   HD21  LEU  18          HD21      LEU  18  28.170  21.323  11.192
  146   HD22  LEU  18          HD22      LEU  18  27.667  19.758  10.519
  147   HD23  LEU  18          HD23      LEU  18  27.917  21.139   9.442
  148    H    GLY  19           H        GLY  19  22.968  21.278  11.053
  149    HA2  GLY  19           HA2      GLY  19  22.621  21.530  14.016
  150    HA3  GLY  19           HA3      GLY  19  21.566  20.645  12.924
  151    H    LYS  20           H        LYS  20  23.606  20.132  15.339
  152    HA   LYS  20           HA       LYS  20  24.328  17.362  14.480
  153    HB2  LYS  20           HB2      LYS  20  26.203  19.427  15.617
  154    HB3  LYS  20           HB3      LYS  20  26.484  17.693  15.843
  155    HG2  LYS  20           HG2      LYS  20  26.601  17.283  13.463
  156    HG3  LYS  20           HG3      LYS  20  26.030  18.916  13.093
  157    HD2  LYS  20           HD2      LYS  20  28.323  18.934  12.696
  158    HD3  LYS  20           HD3      LYS  20  28.008  19.874  14.165
  159    HE2  LYS  20           HE2      LYS  20  28.723  17.852  15.521
  160    HE3  LYS  20           HE3      LYS  20  29.132  17.034  13.994
  161    HZ1  LYS  20           HZ1      LYS  20  31.093  18.112  14.950
  162    HZ2  LYS  20           HZ2      LYS  20  30.692  18.891  13.548
  163    HZ3  LYS  20           HZ3      LYS  20  30.330  19.538  15.027
  164    H    CYS  21           H        CYS  21  24.387  15.814  16.204
  165    HA   CYS  21           HA       CYS  21  22.615  16.468  18.413
  166    HB2  CYS  21           HB2      CYS  21  24.078  13.907  17.735
  167    HB3  CYS  21           HB3      CYS  21  22.763  14.081  18.890
  168    H    ILE  22           H        ILE  22  23.280  17.349  20.293
  169    HA   ILE  22           HA       ILE  22  26.090  17.498  20.974
  170    HB   ILE  22           HB       ILE  22  24.300  19.331  21.000
  171   HG12  ILE  22          HG12      ILE  22  26.156  19.111  23.391
  172   HG13  ILE  22          HG13      ILE  22  26.652  19.522  21.744
  173   HG21  ILE  22          HG21      ILE  22  23.041  19.709  23.016
  174   HG22  ILE  22          HG22      ILE  22  22.678  18.067  22.491
  175   HG23  ILE  22          HG23      ILE  22  23.800  18.336  23.838
  176   HD11  ILE  22          HD11      ILE  22  25.183  21.532  21.809
  177   HD12  ILE  22          HD12      ILE  22  24.803  21.165  23.514
  178   HD13  ILE  22          HD13      ILE  22  26.462  21.552  23.034
  179    H    GLY  23           H        GLY  23  23.750  15.281  21.830
  180    HA2  GLY  23           HA2      GLY  23  25.377  13.657  23.444
  181    HA3  GLY  23           HA3      GLY  23  24.376  14.616  24.549
  182    H    GLU  24           H        GLU  24  21.995  14.792  23.519
  183    HA   GLU  24           HA       GLU  24  21.061  12.479  21.959
  184    HB2  GLU  24           HB2      GLU  24  19.321  11.829  23.520
  185    HB3  GLU  24           HB3      GLU  24  20.922  11.552  24.198
  186    HG2  GLU  24           HG2      GLU  24  20.723  13.433  25.686
  187    HG3  GLU  24           HG3      GLU  24  19.279  14.026  24.858
  188    H    GLU  25           H        GLU  25  21.226  15.585  22.011
  189    HA   GLU  25           HA       GLU  25  18.575  16.093  20.865
  190    HB2  GLU  25           HB2      GLU  25  18.608  16.774  23.312
  191    HB3  GLU  25           HB3      GLU  25  19.943  17.899  22.924
  192    HG2  GLU  25           HG2      GLU  25  17.667  18.970  23.045
  193    HG3  GLU  25           HG3      GLU  25  18.495  19.243  21.529
  194    H    CYS  26           H        CYS  26  18.506  17.859  19.313
  195    HA   CYS  26           HA       CYS  26  21.130  18.169  17.979
  196    HB2  CYS  26           HB2      CYS  26  19.104  17.425  16.722
  197    HB3  CYS  26           HB3      CYS  26  18.377  18.996  17.052
  198    H    LYS  27           H        LYS  27  22.347  19.974  18.093
  199    HA   LYS  27           HA       LYS  27  21.010  22.601  18.490
  200    HB2  LYS  27           HB2      LYS  27  23.357  21.667  20.181
  201    HB3  LYS  27           HB3      LYS  27  22.883  23.360  19.990
  202    HG2  LYS  27           HG2      LYS  27  20.543  22.722  20.689
  203    HG3  LYS  27           HG3      LYS  27  21.176  21.115  21.117
  204    HD2  LYS  27           HD2      LYS  27  22.761  22.305  22.731
  205    HD3  LYS  27           HD3      LYS  27  21.874  23.804  22.362
  206    HE2  LYS  27           HE2      LYS  27  19.740  22.441  22.919
  207    HE3  LYS  27           HE3      LYS  27  20.812  21.236  23.633
  208    HZ1  LYS  27           HZ1      LYS  27  21.607  22.996  25.170
  209    HZ2  LYS  27           HZ2      LYS  27  20.608  24.084  24.448
  210    HZ3  LYS  27           HZ3      LYS  27  19.972  22.820  25.268
  211    H    CYS  28           H        CYS  28  21.973  24.375  17.730
  212    HA   CYS  28           HA       CYS  28  23.178  23.791  15.169
  213    HB2  CYS  28           HB2      CYS  28  22.189  26.348  16.411
  214    HB3  CYS  28           HB3      CYS  28  22.591  26.121  14.698
  215    H    VAL  29           H        VAL  29  24.978  24.760  14.178
  216    HA   VAL  29           HA       VAL  29  26.970  26.156  15.857
  217    HB   VAL  29           HB       VAL  29  28.738  24.643  15.395
  218   HG11  VAL  29          HG11      VAL  29  28.177  22.774  16.772
  219   HG12  VAL  29          HG12      VAL  29  27.370  24.210  17.407
  220   HG13  VAL  29          HG13      VAL  29  26.443  22.994  16.491
  221   HG21  VAL  29          HG21      VAL  29  28.425  22.413  14.391
  222   HG22  VAL  29          HG22      VAL  29  26.754  22.836  13.959
  223   HG23  VAL  29          HG23      VAL  29  28.129  23.693  13.218
  224    HA   PRO  30           HA       PRO  30  27.563  28.261  12.030
  225    HB2  PRO  30           HB2      PRO  30  29.488  30.032  12.669
  226    HB3  PRO  30           HB3      PRO  30  27.967  29.944  13.601
  227    HG2  PRO  30           HG2      PRO  30  30.609  28.604  14.283
  228    HG3  PRO  30           HG3      PRO  30  29.624  29.690  15.325
  229    HD2  PRO  30           HD2      PRO  30  29.405  26.965  15.444
  230    HD3  PRO  30           HD3      PRO  30  28.003  28.050  15.675
  231    H    HIS  31           H        HIS  31  29.814  25.958  12.781
  232    HA   HIS  31           HA       HIS  31  32.116  26.568  11.390
  233    HB2  HIS  31           HB2      HIS  31  30.952  23.824  11.908
  234    HB3  HIS  31           HB3      HIS  31  32.636  24.167  11.493
  235    HD2  HIS  31           HD2      HIS  31  34.122  25.493  13.330
  236    HE1  HIS  31           HE1      HIS  31  31.326  25.389  16.527
  237    HE2  HIS  31           HE2      HIS  31  33.738  25.919  15.910
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  16.176  21.388  21.148
    2    H2   ALA   1           H2       ALA   1  15.338  20.573  22.296
    3    H3   ALA   1           H3       ALA   1  14.603  21.791  21.458
    4    HA   ALA   1           HA       ALA   1  13.801  19.766  20.578
    5    HB1  ALA   1           HB1      ALA   1  14.513  19.931  18.226
    6    HB2  ALA   1           HB2      ALA   1  14.259  21.548  18.913
    7    HB3  ALA   1           HB3      ALA   1  15.914  20.921  18.695
    8    H    PHE   2           H        PHE   2  14.101  17.664  19.866
    9    HA   PHE   2           HA       PHE   2  16.156  16.221  21.292
   10    HB2  PHE   2           HB2      PHE   2  14.091  15.238  19.300
   11    HB3  PHE   2           HB3      PHE   2  14.968  14.254  20.464
   12    HD1  PHE   2           HD1      PHE   2  11.889  15.812  19.901
   13    HD2  PHE   2           HD2      PHE   2  14.794  15.114  23.011
   14    HE1  PHE   2           HE1      PHE   2  10.168  16.303  21.621
   15    HE2  PHE   2           HE2      PHE   2  13.061  15.595  24.734
   16    HZ   PHE   2           HZ       PHE   2  10.759  16.217  24.028
   17    H    CYS   3           H        CYS   3  17.027  14.120  19.979
   18    HA   CYS   3           HA       CYS   3  19.267  15.167  18.551
   19    HB2  CYS   3           HB2      CYS   3  19.252  13.332  20.219
   20    HB3  CYS   3           HB3      CYS   3  18.420  12.312  19.064
   21    H    ASN   4           H        ASN   4  17.237  15.924  16.843
   22    HA   ASN   4           HA       ASN   4  17.035  14.058  14.608
   23    HB2  ASN   4           HB2      ASN   4  15.464  16.228  15.454
   24    HB3  ASN   4           HB3      ASN   4  16.311  16.919  14.087
   25   HD21  ASN   4          HD21      ASN   4  13.520  14.105  13.393
   26   HD22  ASN   4          HD22      ASN   4  13.930  14.601  15.034
   27    H    LEU   5           H        LEU   5  17.561  14.939  12.372
   28    HA   LEU   5           HA       LEU   5  19.872  16.765  12.242
   29    HB2  LEU   5           HB2      LEU   5  20.879  14.554  12.394
   30    HB3  LEU   5           HB3      LEU   5  19.989  13.999  10.979
   31    HG   LEU   5           HG       LEU   5  21.839  16.425  10.854
   32   HD11  LEU   5          HD11      LEU   5  23.151  14.602  11.769
   33   HD12  LEU   5          HD12      LEU   5  22.571  13.493  10.502
   34   HD13  LEU   5          HD13      LEU   5  23.613  14.870  10.091
   35   HD21  LEU   5          HD21      LEU   5  22.140  15.637   8.475
   36   HD22  LEU   5          HD22      LEU   5  20.876  14.424   8.755
   37   HD23  LEU   5          HD23      LEU   5  20.506  16.162   8.816
   38    H    ARG   6           H        ARG   6  17.815  14.652  10.125
   39    HA   ARG   6           HA       ARG   6  17.868  16.594   7.997
   40    HB2  ARG   6           HB2      ARG   6  16.303  15.256   6.836
   41    HB3  ARG   6           HB3      ARG   6  17.500  14.235   7.598
   42    HG2  ARG   6           HG2      ARG   6  15.778  13.658   9.362
   43    HG3  ARG   6           HG3      ARG   6  14.619  14.666   8.492
   44    HD2  ARG   6           HD2      ARG   6  14.255  12.375   7.835
   45    HD3  ARG   6           HD3      ARG   6  14.937  13.264   6.469
   46    HE   ARG   6           HE       ARG   6  16.968  11.870   8.041
   47   HH11  ARG   6          HH11      ARG   6  14.652  11.373   5.432
   48   HH12  ARG   6          HH12      ARG   6  15.482   9.943   4.892
   49   HH21  ARG   6          HH21      ARG   6  18.089  10.193   7.075
   50   HH22  ARG   6          HH22      ARG   6  17.325   9.323   5.756
   51    H    ARG   7           H        ARG   7  15.767  16.400  10.770
   52    HA   ARG   7           HA       ARG   7  14.164  18.714   9.770
   53    HB2  ARG   7           HB2      ARG   7  14.012  17.292  12.444
   54    HB3  ARG   7           HB3      ARG   7  12.894  18.441  11.827
   55    HG2  ARG   7           HG2      ARG   7  13.390  15.598  10.836
   56    HG3  ARG   7           HG3      ARG   7  11.943  16.225  11.602
   57    HD2  ARG   7           HD2      ARG   7  11.483  17.608   9.577
   58    HD3  ARG   7           HD3      ARG   7  12.936  16.941   8.802
   59    HE   ARG   7           HE       ARG   7  11.467  14.715   9.624
   60   HH11  ARG   7          HH11      ARG   7  11.192  17.057   6.985
   61   HH12  ARG   7          HH12      ARG   7   9.892  16.144   6.300
   62   HH21  ARG   7          HH21      ARG   7   9.611  13.814   8.730
   63   HH22  ARG   7          HH22      ARG   7   9.002  14.498   7.257
   64    H    CYS   8           H        CYS   8  16.690  18.014  12.179
   65    HA   CYS   8           HA       CYS   8  16.546  20.496  13.549
   66    HB2  CYS   8           HB2      CYS   8  17.618  18.574  14.521
   67    HB3  CYS   8           HB3      CYS   8  18.823  18.530  13.222
   68    H    GLU   9           H        GLU   9  18.534  19.530  10.706
   69    HA   GLU   9           HA       GLU   9  20.168  21.832  10.448
   70    HB2  GLU   9           HB2      GLU   9  18.968  19.879   8.465
   71    HB3  GLU   9           HB3      GLU   9  20.024  21.169   7.932
   72    HG2  GLU   9           HG2      GLU   9  21.001  19.340  10.143
   73    HG3  GLU   9           HG3      GLU   9  20.950  18.743   8.488
   74    H    LEU  10           H        LEU  10  16.724  21.467   9.631
   75    HA   LEU  10           HA       LEU  10  16.504  23.688   7.843
   76    HB2  LEU  10           HB2      LEU  10  14.346  22.589   9.682
   77    HB3  LEU  10           HB3      LEU  10  14.105  23.451   8.176
   78    HG   LEU  10           HG       LEU  10  15.298  20.653   8.458
   79   HD11  LEU  10          HD11      LEU  10  12.588  21.576   7.419
   80   HD12  LEU  10          HD12      LEU  10  13.188  19.905   7.473
   81   HD13  LEU  10          HD13      LEU  10  12.884  20.784   8.979
   82   HD21  LEU  10          HD21      LEU  10  16.198  21.785   6.462
   83   HD22  LEU  10          HD22      LEU  10  15.042  20.530   6.003
   84   HD23  LEU  10          HD23      LEU  10  14.547  22.237   5.972
   85    H    SER  11           H        SER  11  16.062  23.477  11.385
   86    HA   SER  11           HA       SER  11  15.282  26.267  11.694
   87    HB2  SER  11           HB2      SER  11  15.637  25.621  14.161
   88    HB3  SER  11           HB3      SER  11  14.305  24.876  13.257
   89    HG   SER  11           HG       SER  11  16.622  23.764  14.322
   90    H    CYS  12           H        CYS  12  18.297  24.396  12.194
   91    HA   CYS  12           HA       CYS  12  19.799  26.687  13.094
   92    HB2  CYS  12           HB2      CYS  12  20.748  24.123  11.765
   93    HB3  CYS  12           HB3      CYS  12  21.795  25.332  12.510
   94    H    ARG  13           H        ARG  13  19.485  25.328   9.744
   95    HA   ARG  13           HA       ARG  13  21.267  27.239   8.547
   96    HB2  ARG  13           HB2      ARG  13  19.030  25.507   7.430
   97    HB3  ARG  13           HB3      ARG  13  20.060  26.530   6.416
   98    HG2  ARG  13           HG2      ARG  13  22.058  25.389   7.023
   99    HG3  ARG  13           HG3      ARG  13  21.279  24.531   8.359
  100    HD2  ARG  13           HD2      ARG  13  19.867  23.299   6.737
  101    HD3  ARG  13           HD3      ARG  13  20.700  24.118   5.416
  102    HE   ARG  13           HE       ARG  13  22.054  22.361   7.461
  103   HH11  ARG  13          HH11      ARG  13  22.066  23.565   4.150
  104   HH12  ARG  13          HH12      ARG  13  23.369  22.474   3.707
  105   HH21  ARG  13          HH21      ARG  13  23.503  20.919   6.765
  106   HH22  ARG  13          HH22      ARG  13  24.108  20.978   5.107
  107    H    SER  14           H        SER  14  17.981  27.587   9.581
  108    HA   SER  14           HA       SER  14  17.281  29.964   8.106
  109    HB2  SER  14           HB2      SER  14  16.424  28.981  10.864
  110    HB3  SER  14           HB3      SER  14  15.748  30.382  10.035
  111    HG   SER  14           HG       SER  14  15.562  27.652   9.334
  112    H    LEU  15           H        LEU  15  19.609  29.494  10.685
  113    HA   LEU  15           HA       LEU  15  19.948  32.436  11.000
  114    HB2  LEU  15           HB2      LEU  15  20.781  30.167  12.838
  115    HB3  LEU  15           HB3      LEU  15  20.970  31.893  13.165
  116    HG   LEU  15           HG       LEU  15  18.313  30.415  12.907
  117   HD11  LEU  15          HD11      LEU  15  18.148  30.730  15.334
  118   HD12  LEU  15          HD12      LEU  15  19.581  29.775  14.923
  119   HD13  LEU  15          HD13      LEU  15  19.754  31.491  15.364
  120   HD21  LEU  15          HD21      LEU  15  18.908  33.273  13.784
  121   HD22  LEU  15          HD22      LEU  15  18.075  32.794  12.286
  122   HD23  LEU  15          HD23      LEU  15  17.328  32.474  13.855
  123    H    GLY  16           H        GLY  16  21.066  30.334   8.941
  124    HA2  GLY  16           HA2      GLY  16  22.970  30.311   7.639
  125    HA3  GLY  16           HA3      GLY  16  23.650  31.591   8.650
  126    H    LEU  17           H        LEU  17  22.649  28.529  10.020
  127    HA   LEU  17           HA       LEU  17  25.459  27.807  10.745
  128    HB2  LEU  17           HB2      LEU  17  22.887  26.998  12.124
  129    HB3  LEU  17           HB3      LEU  17  24.502  26.910  12.796
  130    HG   LEU  17           HG       LEU  17  22.933  29.407  12.207
  131   HD11  LEU  17          HD11      LEU  17  22.604  29.776  14.521
  132   HD12  LEU  17          HD12      LEU  17  21.970  28.184  14.112
  133   HD13  LEU  17          HD13      LEU  17  23.543  28.354  14.955
  134   HD21  LEU  17          HD21      LEU  17  25.420  29.701  12.135
  135   HD22  LEU  17          HD22      LEU  17  24.648  30.565  13.478
  136   HD23  LEU  17          HD23      LEU  17  25.490  28.992  13.772
  137    H    LEU  18           H        LEU  18  25.492  25.413  11.478
  138    HA   LEU  18           HA       LEU  18  23.924  23.599   9.699
  139    HB2  LEU  18           HB2      LEU  18  26.489  22.996  11.202
  140    HB3  LEU  18           HB3      LEU  18  25.580  21.853  10.182
  141    HG   LEU  18           HG       LEU  18  26.979  24.345   9.198
  142   HD11  LEU  18          HD11      LEU  18  28.510  22.578  10.022
  143   HD12  LEU  18          HD12      LEU  18  27.707  21.406   8.962
  144   HD13  LEU  18          HD13      LEU  18  28.617  22.755   8.253
  145   HD21  LEU  18          HD21      LEU  18  26.631  23.357   6.951
  146   HD22  LEU  18          HD22      LEU  18  25.648  22.077   7.684
  147   HD23  LEU  18          HD23      LEU  18  25.092  23.763   7.733
  148    H    GLY  19           H        GLY  19  23.322  21.610  10.797
  149    HA2  GLY  19           HA2      GLY  19  22.672  21.943  13.728
  150    HA3  GLY  19           HA3      GLY  19  21.572  21.197  12.571
  151    H    LYS  20           H        LYS  20  23.380  20.392  15.044
  152    HA   LYS  20           HA       LYS  20  24.156  17.675  14.049
  153    HB2  LYS  20           HB2      LYS  20  25.942  19.628  15.545
  154    HB3  LYS  20           HB3      LYS  20  26.287  17.917  15.314
  155    HG2  LYS  20           HG2      LYS  20  26.386  18.194  12.872
  156    HG3  LYS  20           HG3      LYS  20  25.975  19.926  13.029
  157    HD2  LYS  20           HD2      LYS  20  27.942  20.347  14.346
  158    HD3  LYS  20           HD3      LYS  20  28.374  18.627  14.321
  159    HE2  LYS  20           HE2      LYS  20  28.470  18.831  11.762
  160    HE3  LYS  20           HE3      LYS  20  28.368  20.588  11.989
  161    HZ1  LYS  20           HZ1      LYS  20  30.406  20.355  13.435
  162    HZ2  LYS  20           HZ2      LYS  20  30.483  18.781  13.026
  163    HZ3  LYS  20           HZ3      LYS  20  30.682  19.936  11.870
  164    H    CYS  21           H        CYS  21  23.863  16.051  15.581
  165    HA   CYS  21           HA       CYS  21  22.443  16.787  18.040
  166    HB2  CYS  21           HB2      CYS  21  21.632  14.910  16.831
  167    HB3  CYS  21           HB3      CYS  21  23.200  14.102  16.908
  168    H    ILE  22           H        ILE  22  23.118  16.785  20.069
  169    HA   ILE  22           HA       ILE  22  25.990  16.524  20.727
  170    HB   ILE  22           HB       ILE  22  23.606  17.199  22.491
  171   HG12  ILE  22          HG12      ILE  22  23.814  18.960  20.863
  172   HG13  ILE  22          HG13      ILE  22  24.377  19.518  22.428
  173   HG21  ILE  22          HG21      ILE  22  26.606  17.356  23.027
  174   HG22  ILE  22          HG22      ILE  22  25.353  18.069  24.059
  175   HG23  ILE  22          HG23      ILE  22  25.420  16.324  23.848
  176   HD11  ILE  22          HD11      ILE  22  26.743  19.277  21.676
  177   HD12  ILE  22          HD12      ILE  22  26.162  18.739  20.080
  178   HD13  ILE  22          HD13      ILE  22  25.810  20.377  20.652
  179    H    GLY  23           H        GLY  23  22.944  15.061  21.914
  180    HA2  GLY  23           HA2      GLY  23  23.968  12.367  21.870
  181    HA3  GLY  23           HA3      GLY  23  24.013  13.029  23.508
  182    H    GLU  24           H        GLU  24  21.709  14.507  23.621
  183    HA   GLU  24           HA       GLU  24  19.448  12.730  22.753
  184    HB2  GLU  24           HB2      GLU  24  19.474  14.210  25.390
  185    HB3  GLU  24           HB3      GLU  24  18.344  12.986  24.798
  186    HG2  GLU  24           HG2      GLU  24  20.266  11.330  24.816
  187    HG3  GLU  24           HG3      GLU  24  21.239  12.552  25.644
  188    H    GLU  25           H        GLU  25  20.804  15.633  22.280
  189    HA   GLU  25           HA       GLU  25  18.306  16.977  21.439
  190    HB2  GLU  25           HB2      GLU  25  20.564  18.199  23.066
  191    HB3  GLU  25           HB3      GLU  25  19.319  19.145  22.244
  192    HG2  GLU  25           HG2      GLU  25  17.563  18.039  23.557
  193    HG3  GLU  25           HG3      GLU  25  18.780  17.072  24.390
  194    H    CYS  26           H        CYS  26  18.634  18.491  19.762
  195    HA   CYS  26           HA       CYS  26  21.288  18.358  18.399
  196    HB2  CYS  26           HB2      CYS  26  19.577  17.211  17.098
  197    HB3  CYS  26           HB3      CYS  26  18.595  18.678  17.075
  198    H    LYS  27           H        LYS  27  22.291  20.121  17.768
  199    HA   LYS  27           HA       LYS  27  21.214  22.797  18.469
  200    HB2  LYS  27           HB2      LYS  27  23.541  21.394  19.845
  201    HB3  LYS  27           HB3      LYS  27  23.402  23.152  19.797
  202    HG2  LYS  27           HG2      LYS  27  21.151  23.040  20.799
  203    HG3  LYS  27           HG3      LYS  27  21.281  21.273  20.898
  204    HD2  LYS  27           HD2      LYS  27  23.281  21.564  22.399
  205    HD3  LYS  27           HD3      LYS  27  22.908  23.303  22.454
  206    HE2  LYS  27           HE2      LYS  27  20.707  22.872  23.387
  207    HE3  LYS  27           HE3      LYS  27  20.875  21.129  23.123
  208    HZ1  LYS  27           HZ1      LYS  27  22.508  22.710  25.022
  209    HZ2  LYS  27           HZ2      LYS  27  21.273  21.669  25.404
  210    HZ3  LYS  27           HZ3      LYS  27  22.634  21.074  24.746
  211    H    CYS  28           H        CYS  28  22.741  24.522  17.892
  212    HA   CYS  28           HA       CYS  28  23.490  23.918  15.106
  213    HB2  CYS  28           HB2      CYS  28  22.876  26.530  16.463
  214    HB3  CYS  28           HB3      CYS  28  23.083  26.268  14.716
  215    H    VAL  29           H        VAL  29  25.231  25.086  13.997
  216    HA   VAL  29           HA       VAL  29  27.464  26.037  15.681
  217    HB   VAL  29           HB       VAL  29  29.130  24.553  14.721
  218   HG11  VAL  29          HG11      VAL  29  26.959  22.928  16.104
  219   HG12  VAL  29          HG12      VAL  29  28.683  22.551  15.995
  220   HG13  VAL  29          HG13      VAL  29  28.166  23.970  16.904
  221   HG21  VAL  29          HG21      VAL  29  28.534  22.463  13.603
  222   HG22  VAL  29          HG22      VAL  29  26.822  22.946  13.549
  223   HG23  VAL  29          HG23      VAL  29  28.065  23.844  12.635
  224    HA   PRO  30           HA       PRO  30  28.373  28.288  11.868
  225    HB2  PRO  30           HB2      PRO  30  30.481  29.763  12.631
  226    HB3  PRO  30           HB3      PRO  30  28.879  29.930  13.401
  227    HG2  PRO  30           HG2      PRO  30  31.243  28.334  14.417
  228    HG3  PRO  30           HG3      PRO  30  30.232  29.518  15.314
  229    HD2  PRO  30           HD2      PRO  30  29.832  26.752  15.307
  230    HD3  PRO  30           HD3      PRO  30  28.549  27.952  15.626
  231    H    HIS  31           H        HIS  31  28.740  26.007  11.206
  232    HA   HIS  31           HA       HIS  31  29.800  24.422   9.974
  233    HB2  HIS  31           HB2      HIS  31  31.252  26.902   9.036
  234    HB3  HIS  31           HB3      HIS  31  31.180  25.371   8.165
  235    HD2  HIS  31           HD2      HIS  31  28.973  24.694   6.997
  236    HE1  HIS  31           HE1      HIS  31  26.681  28.169   7.778
  237    HE2  HIS  31           HE2      HIS  31  26.788  26.045   6.401
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  14.487  12.064  26.126
    2    H2   ALA   1           H2       ALA   1  13.086  12.452  25.337
    3    H3   ALA   1           H3       ALA   1  13.581  13.379  26.592
    4    HA   ALA   1           HA       ALA   1  13.957  14.456  24.502
    5    HB1  ALA   1           HB1      ALA   1  15.400  15.064  26.354
    6    HB2  ALA   1           HB2      ALA   1  16.449  13.658  26.059
    7    HB3  ALA   1           HB3      ALA   1  16.374  14.977  24.874
    8    H    PHE   2           H        PHE   2  14.942  14.523  22.415
    9    HA   PHE   2           HA       PHE   2  16.480  12.205  21.422
   10    HB2  PHE   2           HB2      PHE   2  13.780  13.003  20.269
   11    HB3  PHE   2           HB3      PHE   2  14.946  12.003  19.425
   12    HD1  PHE   2           HD1      PHE   2  12.371  12.047  22.015
   13    HD2  PHE   2           HD2      PHE   2  15.511   9.710  20.222
   14    HE1  PHE   2           HE1      PHE   2  11.467   9.990  23.094
   15    HE2  PHE   2           HE2      PHE   2  14.592   7.660  21.271
   16    HZ   PHE   2           HZ       PHE   2  12.575   7.800  22.727
   17    H    CYS   3           H        CYS   3  17.744  12.626  19.639
   18    HA   CYS   3           HA       CYS   3  18.167  15.425  18.783
   19    HB2  CYS   3           HB2      CYS   3  19.589  12.783  18.403
   20    HB3  CYS   3           HB3      CYS   3  19.971  14.171  17.403
   21    H    ASN   4           H        ASN   4  17.113  16.281  16.974
   22    HA   ASN   4           HA       ASN   4  16.171  14.505  14.814
   23    HB2  ASN   4           HB2      ASN   4  15.482  17.141  15.682
   24    HB3  ASN   4           HB3      ASN   4  16.145  17.332  14.078
   25   HD21  ASN   4          HD21      ASN   4  12.543  15.687  14.438
   26   HD22  ASN   4          HD22      ASN   4  13.400  16.430  15.795
   27    H    LEU   5           H        LEU   5  16.851  15.207  12.486
   28    HA   LEU   5           HA       LEU   5  19.531  16.438  12.336
   29    HB2  LEU   5           HB2      LEU   5  19.794  13.902  12.447
   30    HB3  LEU   5           HB3      LEU   5  19.101  13.838  10.835
   31    HG   LEU   5           HG       LEU   5  21.577  15.480  11.607
   32   HD11  LEU   5          HD11      LEU   5  22.018  13.109  11.950
   33   HD12  LEU   5          HD12      LEU   5  21.343  12.707  10.357
   34   HD13  LEU   5          HD13      LEU   5  22.843  13.643  10.481
   35   HD21  LEU   5          HD21      LEU   5  22.076  15.405   9.170
   36   HD22  LEU   5          HD22      LEU   5  20.516  14.620   8.874
   37   HD23  LEU   5          HD23      LEU   5  20.598  16.290   9.492
   38    H    ARG   6           H        ARG   6  17.119  14.851  10.165
   39    HA   ARG   6           HA       ARG   6  17.473  16.725   8.006
   40    HB2  ARG   6           HB2      ARG   6  15.317  14.712   8.731
   41    HB3  ARG   6           HB3      ARG   6  15.062  15.864   7.434
   42    HG2  ARG   6           HG2      ARG   6  15.835  13.745   6.548
   43    HG3  ARG   6           HG3      ARG   6  16.928  15.068   6.178
   44    HD2  ARG   6           HD2      ARG   6  18.199  13.111   6.649
   45    HD3  ARG   6           HD3      ARG   6  18.493  14.290   7.941
   46    HE   ARG   6           HE       ARG   6  16.435  12.624   8.891
   47   HH11  ARG   6          HH11      ARG   6  19.785  12.033   7.890
   48   HH12  ARG   6          HH12      ARG   6  19.811  10.569   8.869
   49   HH21  ARG   6          HH21      ARG   6  16.589  10.782   9.932
   50   HH22  ARG   6          HH22      ARG   6  18.116   9.912  10.047
   51    H    ARG   7           H        ARG   7  15.158  16.826  10.798
   52    HA   ARG   7           HA       ARG   7  14.102  19.415   9.840
   53    HB2  ARG   7           HB2      ARG   7  13.759  18.001  12.495
   54    HB3  ARG   7           HB3      ARG   7  12.990  19.495  12.058
   55    HG2  ARG   7           HG2      ARG   7  11.944  18.320  10.046
   56    HG3  ARG   7           HG3      ARG   7  12.637  16.804  10.656
   57    HD2  ARG   7           HD2      ARG   7  11.417  17.234  12.828
   58    HD3  ARG   7           HD3      ARG   7  10.582  18.576  12.040
   59    HE   ARG   7           HE       ARG   7  10.318  15.658  11.455
   60   HH11  ARG   7          HH11      ARG   7   9.097  18.859  10.603
   61   HH12  ARG   7          HH12      ARG   7   7.561  18.194  10.106
   62   HH21  ARG   7          HH21      ARG   7   8.443  14.930  10.719
   63   HH22  ARG   7          HH22      ARG   7   7.155  16.006  10.217
   64    H    CYS   8           H        CYS   8  16.649  18.369  12.030
   65    HA   CYS   8           HA       CYS   8  17.013  20.881  13.380
   66    HB2  CYS   8           HB2      CYS   8  17.744  18.750  14.358
   67    HB3  CYS   8           HB3      CYS   8  18.875  18.519  13.011
   68    H    GLU   9           H        GLU   9  18.676  19.474  10.472
   69    HA   GLU   9           HA       GLU   9  20.489  21.632  10.060
   70    HB2  GLU   9           HB2      GLU   9  19.186  19.666   8.136
   71    HB3  GLU   9           HB3      GLU   9  20.375  20.873   7.620
   72    HG2  GLU   9           HG2      GLU   9  22.014  19.971   9.248
   73    HG3  GLU   9           HG3      GLU   9  20.878  18.709   9.704
   74    H    LEU  10           H        LEU  10  17.111  21.288   8.918
   75    HA   LEU  10           HA       LEU  10  17.006  23.806   7.496
   76    HB2  LEU  10           HB2      LEU  10  14.763  22.204   8.809
   77    HB3  LEU  10           HB3      LEU  10  14.564  23.467   7.603
   78    HG   LEU  10           HG       LEU  10  15.944  20.800   7.128
   79   HD11  LEU  10          HD11      LEU  10  13.196  21.767   6.249
   80   HD12  LEU  10          HD12      LEU  10  13.944  20.207   5.841
   81   HD13  LEU  10          HD13      LEU  10  13.507  20.567   7.519
   82   HD21  LEU  10          HD21      LEU  10  15.747  21.386   4.731
   83   HD22  LEU  10          HD22      LEU  10  15.145  22.999   5.184
   84   HD23  LEU  10          HD23      LEU  10  16.793  22.497   5.621
   85    H    SER  11           H        SER  11  16.174  22.865  10.836
   86    HA   SER  11           HA       SER  11  15.131  25.367  11.719
   87    HB2  SER  11           HB2      SER  11  14.840  23.182  12.831
   88    HB3  SER  11           HB3      SER  11  16.543  23.154  13.272
   89    HG   SER  11           HG       SER  11  14.853  23.914  14.808
   90    H    CYS  12           H        CYS  12  18.481  24.049  11.955
   91    HA   CYS  12           HA       CYS  12  19.568  26.434  13.142
   92    HB2  CYS  12           HB2      CYS  12  20.800  24.068  11.682
   93    HB3  CYS  12           HB3      CYS  12  21.747  25.345  12.424
   94    H    ARG  13           H        ARG  13  19.146  25.534   9.696
   95    HA   ARG  13           HA       ARG  13  20.865  27.581   8.674
   96    HB2  ARG  13           HB2      ARG  13  19.916  25.592   7.441
   97    HB3  ARG  13           HB3      ARG  13  18.407  26.492   7.276
   98    HG2  ARG  13           HG2      ARG  13  19.606  28.321   6.097
   99    HG3  ARG  13           HG3      ARG  13  21.152  27.491   6.368
  100    HD2  ARG  13           HD2      ARG  13  18.847  26.520   4.663
  101    HD3  ARG  13           HD3      ARG  13  20.351  27.212   4.090
  102    HE   ARG  13           HE       ARG  13  21.558  25.242   5.034
  103   HH11  ARG  13          HH11      ARG  13  18.048  24.711   4.722
  104   HH12  ARG  13          HH12      ARG  13  18.350  23.014   4.353
  105   HH21  ARG  13          HH21      ARG  13  21.691  23.073   4.740
  106   HH22  ARG  13          HH22      ARG  13  20.216  22.155   4.433
  107    H    SER  14           H        SER  14  17.589  27.821   9.952
  108    HA   SER  14           HA       SER  14  17.044  30.482   9.064
  109    HB2  SER  14           HB2      SER  14  16.010  28.923  11.448
  110    HB3  SER  14           HB3      SER  14  15.355  30.473  10.880
  111    HG   SER  14           HG       SER  14  14.350  29.474   9.392
  112    H    LEU  15           H        LEU  15  19.610  29.643  11.054
  113    HA   LEU  15           HA       LEU  15  19.904  32.503  11.833
  114    HB2  LEU  15           HB2      LEU  15  20.768  30.015  13.347
  115    HB3  LEU  15           HB3      LEU  15  21.275  31.649  13.775
  116    HG   LEU  15           HG       LEU  15  18.376  30.697  13.770
  117   HD11  LEU  15          HD11      LEU  15  18.590  30.658  16.214
  118   HD12  LEU  15          HD12      LEU  15  19.711  29.510  15.455
  119   HD13  LEU  15          HD13      LEU  15  20.319  31.064  16.086
  120   HD21  LEU  15          HD21      LEU  15  17.990  32.737  15.135
  121   HD22  LEU  15          HD22      LEU  15  19.683  33.215  14.902
  122   HD23  LEU  15          HD23      LEU  15  18.568  33.149  13.519
  123    H    GLY  16           H        GLY  16  20.799  30.373   9.617
  124    HA2  GLY  16           HA2      GLY  16  22.525  30.275   8.114
  125    HA3  GLY  16           HA3      GLY  16  23.419  31.482   9.032
  126    H    LEU  17           H        LEU  17  22.269  28.376  10.405
  127    HA   LEU  17           HA       LEU  17  25.122  27.600  10.869
  128    HB2  LEU  17           HB2      LEU  17  22.784  27.002  12.657
  129    HB3  LEU  17           HB3      LEU  17  24.479  26.856  13.056
  130    HG   LEU  17           HG       LEU  17  22.985  29.429  12.563
  131   HD11  LEU  17          HD11      LEU  17  23.825  28.360  15.254
  132   HD12  LEU  17          HD12      LEU  17  23.058  29.914  14.918
  133   HD13  LEU  17          HD13      LEU  17  22.146  28.429  14.624
  134   HD21  LEU  17          HD21      LEU  17  25.684  28.855  13.809
  135   HD22  LEU  17          HD22      LEU  17  25.442  29.556  12.177
  136   HD23  LEU  17          HD23      LEU  17  24.967  30.478  13.616
  137    H    LEU  18           H        LEU  18  25.500  25.395  11.345
  138    HA   LEU  18           HA       LEU  18  23.967  23.409   9.741
  139    HB2  LEU  18           HB2      LEU  18  26.346  23.456   9.318
  140    HB3  LEU  18           HB3      LEU  18  26.709  23.451  11.040
  141    HG   LEU  18           HG       LEU  18  25.819  21.146  11.230
  142   HD11  LEU  18          HD11      LEU  18  25.661  21.260   8.180
  143   HD12  LEU  18          HD12      LEU  18  25.423  19.815   9.188
  144   HD13  LEU  18          HD13      LEU  18  24.263  21.142   9.257
  145   HD21  LEU  18          HD21      LEU  18  27.686  20.039  10.062
  146   HD22  LEU  18          HD22      LEU  18  27.984  21.514   9.122
  147   HD23  LEU  18          HD23      LEU  18  28.216  21.510  10.888
  148    H    GLY  19           H        GLY  19  23.129  21.523  10.792
  149    HA2  GLY  19           HA2      GLY  19  22.718  21.728  13.750
  150    HA3  GLY  19           HA3      GLY  19  21.603  20.973  12.627
  151    H    LYS  20           H        LYS  20  23.610  20.213  14.991
  152    HA   LYS  20           HA       LYS  20  24.195  17.443  14.060
  153    HB2  LYS  20           HB2      LYS  20  26.180  19.453  15.100
  154    HB3  LYS  20           HB3      LYS  20  26.404  17.729  15.426
  155    HG2  LYS  20           HG2      LYS  20  26.493  17.158  13.109
  156    HG3  LYS  20           HG3      LYS  20  25.910  18.748  12.606
  157    HD2  LYS  20           HD2      LYS  20  28.244  18.579  12.171
  158    HD3  LYS  20           HD3      LYS  20  27.904  19.823  13.395
  159    HE2  LYS  20           HE2      LYS  20  28.773  18.474  15.168
  160    HE3  LYS  20           HE3      LYS  20  28.737  17.008  14.181
  161    HZ1  LYS  20           HZ1      LYS  20  30.984  18.000  14.465
  162    HZ2  LYS  20           HZ2      LYS  20  30.540  17.810  12.893
  163    HZ3  LYS  20           HZ3      LYS  20  30.531  19.298  13.597
  164    H    CYS  21           H        CYS  21  23.979  15.880  15.647
  165    HA   CYS  21           HA       CYS  21  22.662  16.523  18.151
  166    HB2  CYS  21           HB2      CYS  21  22.186  14.517  16.818
  167    HB3  CYS  21           HB3      CYS  21  23.833  13.959  17.064
  168    H    ILE  22           H        ILE  22  23.408  16.477  20.243
  169    HA   ILE  22           HA       ILE  22  26.272  15.768  20.750
  170    HB   ILE  22           HB       ILE  22  26.221  17.372  22.644
  171   HG12  ILE  22          HG12      ILE  22  23.864  18.730  21.313
  172   HG13  ILE  22          HG13      ILE  22  23.603  17.522  22.576
  173   HG21  ILE  22          HG21      ILE  22  27.345  17.803  20.496
  174   HG22  ILE  22          HG22      ILE  22  25.890  18.627  19.916
  175   HG23  ILE  22          HG23      ILE  22  26.798  19.270  21.307
  176   HD11  ILE  22          HD11      ILE  22  24.912  18.819  24.188
  177   HD12  ILE  22          HD12      ILE  22  25.238  20.040  22.944
  178   HD13  ILE  22          HD13      ILE  22  23.585  19.789  23.501
  179    H    GLY  23           H        GLY  23  23.494  14.337  21.062
  180    HA2  GLY  23           HA2      GLY  23  24.020  12.224  22.492
  181    HA3  GLY  23           HA3      GLY  23  23.802  13.339  23.855
  182    H    GLU  24           H        GLU  24  21.711  14.762  23.550
  183    HA   GLU  24           HA       GLU  24  19.420  13.211  22.424
  184    HB2  GLU  24           HB2      GLU  24  19.334  14.420  25.195
  185    HB3  GLU  24           HB3      GLU  24  18.171  13.342  24.424
  186    HG2  GLU  24           HG2      GLU  24  19.828  11.495  24.530
  187    HG3  GLU  24           HG3      GLU  24  20.969  12.567  25.358
  188    H    GLU  25           H        GLU  25  20.985  16.142  22.516
  189    HA   GLU  25           HA       GLU  25  18.561  17.529  21.474
  190    HB2  GLU  25           HB2      GLU  25  19.393  18.480  23.688
  191    HB3  GLU  25           HB3      GLU  25  20.922  18.811  22.904
  192    HG2  GLU  25           HG2      GLU  25  19.684  20.844  22.944
  193    HG3  GLU  25           HG3      GLU  25  19.741  20.305  21.271
  194    H    CYS  26           H        CYS  26  18.780  18.251  19.399
  195    HA   CYS  26           HA       CYS  26  21.470  18.182  18.133
  196    HB2  CYS  26           HB2      CYS  26  19.577  17.133  16.992
  197    HB3  CYS  26           HB3      CYS  26  18.760  18.703  16.896
  198    H    LYS  27           H        LYS  27  22.726  19.884  18.108
  199    HA   LYS  27           HA       LYS  27  21.607  22.573  18.831
  200    HB2  LYS  27           HB2      LYS  27  23.614  23.121  19.820
  201    HB3  LYS  27           HB3      LYS  27  23.236  21.505  20.397
  202    HG2  LYS  27           HG2      LYS  27  24.845  20.533  18.769
  203    HG3  LYS  27           HG3      LYS  27  25.236  22.150  18.164
  204    HD2  LYS  27           HD2      LYS  27  25.597  21.237  21.023
  205    HD3  LYS  27           HD3      LYS  27  26.888  21.291  19.797
  206    HE2  LYS  27           HE2      LYS  27  26.484  23.770  19.570
  207    HE3  LYS  27           HE3      LYS  27  25.306  23.647  20.891
  208    HZ1  LYS  27           HZ1      LYS  27  28.218  23.228  21.036
  209    HZ2  LYS  27           HZ2      LYS  27  27.316  24.289  21.859
  210    HZ3  LYS  27           HZ3      LYS  27  27.209  22.718  22.259
  211    H    CYS  28           H        CYS  28  22.826  24.452  17.958
  212    HA   CYS  28           HA       CYS  28  23.439  24.006  15.084
  213    HB2  CYS  28           HB2      CYS  28  22.698  26.571  16.469
  214    HB3  CYS  28           HB3      CYS  28  22.983  26.330  14.750
  215    H    VAL  29           H        VAL  29  25.208  24.962  14.073
  216    HA   VAL  29           HA       VAL  29  27.365  26.145  15.697
  217    HB   VAL  29           HB       VAL  29  29.024  24.483  14.891
  218   HG11  VAL  29          HG11      VAL  29  26.917  23.189  16.640
  219   HG12  VAL  29          HG12      VAL  29  28.650  22.842  16.592
  220   HG13  VAL  29          HG13      VAL  29  28.086  24.408  17.201
  221   HG21  VAL  29          HG21      VAL  29  27.857  23.446  13.026
  222   HG22  VAL  29          HG22      VAL  29  28.330  22.238  14.221
  223   HG23  VAL  29          HG23      VAL  29  26.639  22.763  14.133
  224    HA   PRO  30           HA       PRO  30  28.451  27.875  11.658
  225    HB2  PRO  30           HB2      PRO  30  30.847  28.989  12.170
  226    HB3  PRO  30           HB3      PRO  30  29.349  29.568  12.951
  227    HG2  PRO  30           HG2      PRO  30  31.411  27.651  14.096
  228    HG3  PRO  30           HG3      PRO  30  30.719  29.108  14.870
  229    HD2  PRO  30           HD2      PRO  30  29.758  26.549  15.263
  230    HD3  PRO  30           HD3      PRO  30  28.714  28.002  15.363
  231    H    HIS  31           H        HIS  31  28.333  25.571  11.247
  232    HA   HIS  31           HA       HIS  31  28.956  23.680  10.146
  233    HB2  HIS  31           HB2      HIS  31  30.682  25.694   8.744
  234    HB3  HIS  31           HB3      HIS  31  30.083  24.181   8.049
  235    HD2  HIS  31           HD2      HIS  31  27.573  24.159   7.199
  236    HE1  HIS  31           HE1      HIS  31  26.513  28.133   8.264
  237    HE2  HIS  31           HE2      HIS  31  25.779  26.105   6.942
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1  13.418  12.382  25.630
    2    H2   ALA   1           H2       ALA   1  12.018  12.518  24.784
    3    H3   ALA   1           H3       ALA   1  12.393  13.631  25.938
    4    HA   ALA   1           HA       ALA   1  12.712  14.474  23.685
    5    HB1  ALA   1           HB1      ALA   1  15.025  15.341  24.040
    6    HB2  ALA   1           HB2      ALA   1  14.034  15.498  25.494
    7    HB3  ALA   1           HB3      ALA   1  15.241  14.197  25.380
    8    H    PHE   2           H        PHE   2  13.445  14.142  21.649
    9    HA   PHE   2           HA       PHE   2  15.420  11.955  21.133
   10    HB2  PHE   2           HB2      PHE   2  13.061  12.730  19.392
   11    HB3  PHE   2           HB3      PHE   2  14.237  11.477  19.056
   12    HD1  PHE   2           HD1      PHE   2  14.430   9.915  21.537
   13    HD2  PHE   2           HD2      PHE   2  10.981  11.673  19.640
   14    HE1  PHE   2           HE1      PHE   2  12.967   8.237  22.629
   15    HE2  PHE   2           HE2      PHE   2   9.523   9.993  20.733
   16    HZ   PHE   2           HZ       PHE   2  10.511   8.276  22.230
   17    H    CYS   3           H        CYS   3  17.015  12.385  19.670
   18    HA   CYS   3           HA       CYS   3  17.533  15.225  19.079
   19    HB2  CYS   3           HB2      CYS   3  19.128  13.474  20.138
   20    HB3  CYS   3           HB3      CYS   3  19.281  12.800  18.528
   21    H    ASN   4           H        ASN   4  16.912  16.095  17.055
   22    HA   ASN   4           HA       ASN   4  16.686  14.231  14.768
   23    HB2  ASN   4           HB2      ASN   4  15.094  16.351  15.474
   24    HB3  ASN   4           HB3      ASN   4  16.148  17.134  14.311
   25   HD21  ASN   4          HD21      ASN   4  13.356  15.335  14.616
   26   HD22  ASN   4          HD22      ASN   4  13.335  14.573  13.027
   27    H    LEU   5           H        LEU   5  17.575  14.923  12.687
   28    HA   LEU   5           HA       LEU   5  20.015  16.595  12.794
   29    HB2  LEU   5           HB2      LEU   5  20.697  14.203  13.018
   30    HB3  LEU   5           HB3      LEU   5  19.948  13.846  11.479
   31    HG   LEU   5           HG       LEU   5  22.355  14.022  11.347
   32   HD11  LEU   5          HD11      LEU   5  21.240  16.391   9.812
   33   HD12  LEU   5          HD12      LEU   5  22.635  15.386   9.419
   34   HD13  LEU   5          HD13      LEU   5  21.016  14.681   9.343
   35   HD21  LEU   5          HD21      LEU   5  22.710  15.705  13.143
   36   HD22  LEU   5          HD22      LEU   5  23.594  16.079  11.653
   37   HD23  LEU   5          HD23      LEU   5  22.119  16.977  12.043
   38    H    ARG   6           H        ARG   6  18.056  14.625  10.487
   39    HA   ARG   6           HA       ARG   6  18.385  16.397   8.292
   40    HB2  ARG   6           HB2      ARG   6  16.248  14.317   8.926
   41    HB3  ARG   6           HB3      ARG   6  16.413  15.122   7.358
   42    HG2  ARG   6           HG2      ARG   6  18.677  14.242   7.069
   43    HG3  ARG   6           HG3      ARG   6  18.664  13.524   8.682
   44    HD2  ARG   6           HD2      ARG   6  18.214  11.771   7.078
   45    HD3  ARG   6           HD3      ARG   6  16.771  12.071   8.037
   46    HE   ARG   6           HE       ARG   6  15.658  12.921   6.217
   47   HH11  ARG   6          HH11      ARG   6  19.039  12.538   5.264
   48   HH12  ARG   6          HH12      ARG   6  18.656  12.645   3.557
   49   HH21  ARG   6          HH21      ARG   6  15.295  13.106   4.002
   50   HH22  ARG   6          HH22      ARG   6  16.613  12.776   2.878
   51    H    ARG   7           H        ARG   7  15.736  16.319  10.672
   52    HA   ARG   7           HA       ARG   7  14.600  18.853   9.583
   53    HB2  ARG   7           HB2      ARG   7  13.800  16.994  11.827
   54    HB3  ARG   7           HB3      ARG   7  13.092  18.572  11.668
   55    HG2  ARG   7           HG2      ARG   7  12.254  18.002   9.407
   56    HG3  ARG   7           HG3      ARG   7  13.081  16.430   9.480
   57    HD2  ARG   7           HD2      ARG   7  11.743  15.808  11.456
   58    HD3  ARG   7           HD3      ARG   7  10.886  17.360  11.387
   59    HE   ARG   7           HE       ARG   7  10.571  16.188   8.848
   60   HH11  ARG   7          HH11      ARG   7   9.851  15.070  12.102
   61   HH12  ARG   7          HH12      ARG   7   8.594  13.994  11.524
   62   HH21  ARG   7          HH21      ARG   7   8.705  15.122   8.269
   63   HH22  ARG   7          HH22      ARG   7   7.851  14.172   9.466
   64    H    CYS   8           H        CYS   8  16.911  18.001  12.050
   65    HA   CYS   8           HA       CYS   8  16.650  20.409  13.644
   66    HB2  CYS   8           HB2      CYS   8  17.894  18.566  14.589
   67    HB3  CYS   8           HB3      CYS   8  19.001  18.544  13.202
   68    H    GLU   9           H        GLU   9  18.668  19.574  10.775
   69    HA   GLU   9           HA       GLU   9  20.124  21.908  10.374
   70    HB2  GLU   9           HB2      GLU   9  18.681  20.082   8.415
   71    HB3  GLU   9           HB3      GLU   9  19.780  21.350   7.886
   72    HG2  GLU   9           HG2      GLU   9  20.761  19.294   9.885
   73    HG3  GLU   9           HG3      GLU   9  20.618  18.876   8.181
   74    H    LEU  10           H        LEU  10  16.714  21.395   9.462
   75    HA   LEU  10           HA       LEU  10  16.278  23.851   8.090
   76    HB2  LEU  10           HB2      LEU  10  14.213  22.313   9.702
   77    HB3  LEU  10           HB3      LEU  10  13.949  23.332   8.298
   78    HG   LEU  10           HG       LEU  10  15.338  20.626   8.281
   79   HD11  LEU  10          HD11      LEU  10  13.337  19.868   7.093
   80   HD12  LEU  10          HD12      LEU  10  12.897  20.527   8.681
   81   HD13  LEU  10          HD13      LEU  10  12.620  21.490   7.215
   82   HD21  LEU  10          HD21      LEU  10  16.238  22.060   6.493
   83   HD22  LEU  10          HD22      LEU  10  15.197  20.808   5.815
   84   HD23  LEU  10          HD23      LEU  10  14.591  22.473   5.969
   85    H    SER  11           H        SER  11  16.339  23.155  11.552
   86    HA   SER  11           HA       SER  11  15.222  25.740  12.384
   87    HB2  SER  11           HB2      SER  11  15.048  23.730  13.814
   88    HB3  SER  11           HB3      SER  11  16.819  23.667  13.941
   89    HG   SER  11           HG       SER  11  15.940  24.657  15.694
   90    H    CYS  12           H        CYS  12  18.487  24.255  12.247
   91    HA   CYS  12           HA       CYS  12  19.928  26.527  13.138
   92    HB2  CYS  12           HB2      CYS  12  20.719  24.228  11.294
   93    HB3  CYS  12           HB3      CYS  12  21.852  25.336  12.040
   94    H    ARG  13           H        ARG  13  18.809  25.730   9.875
   95    HA   ARG  13           HA       ARG  13  20.179  27.779   8.459
   96    HB2  ARG  13           HB2      ARG  13  17.638  26.201   7.956
   97    HB3  ARG  13           HB3      ARG  13  18.225  27.413   6.798
   98    HG2  ARG  13           HG2      ARG  13  20.352  26.312   6.572
   99    HG3  ARG  13           HG3      ARG  13  20.038  25.236   7.914
  100    HD2  ARG  13           HD2      ARG  13  18.202  24.169   6.568
  101    HD3  ARG  13           HD3      ARG  13  18.752  25.126   5.172
  102    HE   ARG  13           HE       ARG  13  21.030  23.899   6.321
  103   HH11  ARG  13          HH11      ARG  13  18.151  22.602   4.779
  104   HH12  ARG  13          HH12      ARG  13  18.925  21.016   4.627
  105   HH21  ARG  13          HH21      ARG  13  21.956  22.024   5.817
  106   HH22  ARG  13          HH22      ARG  13  21.004  20.734   5.117
  107    H    SER  14           H        SER  14  17.549  28.231  10.689
  108    HA   SER  14           HA       SER  14  16.560  30.750   9.795
  109    HB2  SER  14           HB2      SER  14  15.922  31.149  12.106
  110    HB3  SER  14           HB3      SER  14  15.559  29.477  11.657
  111    HG   SER  14           HG       SER  14  17.204  28.753  12.865
  112    H    LEU  15           H        LEU  15  19.669  29.987  11.265
  113    HA   LEU  15           HA       LEU  15  20.506  32.856  11.060
  114    HB2  LEU  15           HB2      LEU  15  21.367  30.730  13.048
  115    HB3  LEU  15           HB3      LEU  15  22.062  32.351  12.943
  116    HG   LEU  15           HG       LEU  15  19.157  31.760  13.623
  117   HD11  LEU  15          HD11      LEU  15  20.663  30.888  15.348
  118   HD12  LEU  15          HD12      LEU  15  21.527  32.444  15.410
  119   HD13  LEU  15          HD13      LEU  15  19.836  32.342  15.927
  120   HD21  LEU  15          HD21      LEU  15  19.131  34.097  14.438
  121   HD22  LEU  15          HD22      LEU  15  20.795  34.320  13.867
  122   HD23  LEU  15          HD23      LEU  15  19.482  34.041  12.704
  123    H    GLY  16           H        GLY  16  20.596  30.445   9.180
  124    HA2  GLY  16           HA2      GLY  16  22.020  29.574   7.583
  125    HA3  GLY  16           HA3      GLY  16  23.109  30.924   7.934
  126    H    LEU  17           H        LEU  17  22.286  28.543  10.436
  127    HA   LEU  17           HA       LEU  17  25.123  27.779  10.693
  128    HB2  LEU  17           HB2      LEU  17  22.742  27.031  12.381
  129    HB3  LEU  17           HB3      LEU  17  24.417  26.782  12.821
  130    HG   LEU  17           HG       LEU  17  23.058  29.429  12.402
  131   HD11  LEU  17          HD11      LEU  17  23.724  28.186  15.069
  132   HD12  LEU  17          HD12      LEU  17  22.970  29.753  14.784
  133   HD13  LEU  17          HD13      LEU  17  22.084  28.283  14.353
  134   HD21  LEU  17          HD21      LEU  17  25.006  30.356  13.641
  135   HD22  LEU  17          HD22      LEU  17  25.675  28.708  13.740
  136   HD23  LEU  17          HD23      LEU  17  25.517  29.537  12.157
  137    H    LEU  18           H        LEU  18  25.569  25.539  11.297
  138    HA   LEU  18           HA       LEU  18  24.305  23.446   9.579
  139    HB2  LEU  18           HB2      LEU  18  26.685  23.777   9.182
  140    HB3  LEU  18           HB3      LEU  18  27.013  23.802  10.909
  141    HG   LEU  18           HG       LEU  18  26.344  21.381  11.039
  142   HD11  LEU  18          HD11      LEU  18  24.978  21.235   8.978
  143   HD12  LEU  18          HD12      LEU  18  26.407  21.602   7.995
  144   HD13  LEU  18          HD13      LEU  18  26.324  20.088   8.921
  145   HD21  LEU  18          HD21      LEU  18  28.695  22.049  10.928
  146   HD22  LEU  18          HD22      LEU  18  28.436  20.552  10.015
  147   HD23  LEU  18          HD23      LEU  18  28.619  22.096   9.154
  148    H    GLY  19           H        GLY  19  23.327  21.680  10.635
  149    HA2  GLY  19           HA2      GLY  19  23.023  21.838  13.604
  150    HA3  GLY  19           HA3      GLY  19  21.997  20.952  12.483
  151    H    LYS  20           H        LYS  20  23.786  20.366  14.989
  152    HA   LYS  20           HA       LYS  20  24.604  17.647  14.101
  153    HB2  LYS  20           HB2      LYS  20  26.324  19.696  15.565
  154    HB3  LYS  20           HB3      LYS  20  26.649  17.975  15.669
  155    HG2  LYS  20           HG2      LYS  20  26.631  19.556  13.054
  156    HG3  LYS  20           HG3      LYS  20  28.063  19.129  14.001
  157    HD2  LYS  20           HD2      LYS  20  27.477  16.716  13.785
  158    HD3  LYS  20           HD3      LYS  20  26.137  17.142  12.706
  159    HE2  LYS  20           HE2      LYS  20  27.561  17.913  11.002
  160    HE3  LYS  20           HE3      LYS  20  28.954  18.060  12.106
  161    HZ1  LYS  20           HZ1      LYS  20  29.051  16.072  10.677
  162    HZ2  LYS  20           HZ2      LYS  20  29.096  15.732  12.281
  163    HZ3  LYS  20           HZ3      LYS  20  27.702  15.467  11.417
  164    H    CYS  21           H        CYS  21  24.319  16.040  15.560
  165    HA   CYS  21           HA       CYS  21  22.524  16.620  17.795
  166    HB2  CYS  21           HB2      CYS  21  22.139  14.691  16.315
  167    HB3  CYS  21           HB3      CYS  21  23.693  13.999  16.818
  168    H    ILE  22           H        ILE  22  23.015  16.732  19.952
  169    HA   ILE  22           HA       ILE  22  25.802  16.292  20.833
  170    HB   ILE  22           HB       ILE  22  23.376  17.333  22.303
  171   HG12  ILE  22          HG12      ILE  22  24.075  18.913  20.622
  172   HG13  ILE  22          HG13      ILE  22  24.468  19.514  22.219
  173   HG21  ILE  22          HG21      ILE  22  25.001  18.068  24.047
  174   HG22  ILE  22          HG22      ILE  22  24.820  16.317  23.941
  175   HG23  ILE  22          HG23      ILE  22  26.256  17.098  23.243
  176   HD11  ILE  22          HD11      ILE  22  26.293  20.034  20.712
  177   HD12  ILE  22          HD12      ILE  22  26.873  18.821  21.855
  178   HD13  ILE  22          HD13      ILE  22  26.430  18.350  20.194
  179    H    GLY  23           H        GLY  23  22.633  14.809  21.284
  180    HA2  GLY  23           HA2      GLY  23  23.538  12.183  21.537
  181    HA3  GLY  23           HA3      GLY  23  23.457  12.794  23.193
  182    H    GLU  24           H        GLU  24  21.281  14.289  23.332
  183    HA   GLU  24           HA       GLU  24  18.932  12.708  22.336
  184    HB2  GLU  24           HB2      GLU  24  17.811  12.931  24.424
  185    HB3  GLU  24           HB3      GLU  24  19.391  12.201  24.709
  186    HG2  GLU  24           HG2      GLU  24  20.253  14.431  25.455
  187    HG3  GLU  24           HG3      GLU  24  18.638  15.113  25.231
  188    H    GLU  25           H        GLU  25  20.463  15.665  22.247
  189    HA   GLU  25           HA       GLU  25  18.130  16.953  20.986
  190    HB2  GLU  25           HB2      GLU  25  17.992  17.628  23.324
  191    HB3  GLU  25           HB3      GLU  25  19.699  18.078  23.334
  192    HG2  GLU  25           HG2      GLU  25  19.293  19.950  21.853
  193    HG3  GLU  25           HG3      GLU  25  17.645  19.392  21.532
  194    H    CYS  26           H        CYS  26  18.673  18.369  19.354
  195    HA   CYS  26           HA       CYS  26  21.458  18.293  18.433
  196    HB2  CYS  26           HB2      CYS  26  19.534  17.666  17.024
  197    HB3  CYS  26           HB3      CYS  26  18.929  19.312  17.144
  198    H    LYS  27           H        LYS  27  22.758  20.011  17.892
  199    HA   LYS  27           HA       LYS  27  22.181  22.699  19.006
  200    HB2  LYS  27           HB2      LYS  27  23.564  21.436  20.568
  201    HB3  LYS  27           HB3      LYS  27  24.572  20.843  19.244
  202    HG2  LYS  27           HG2      LYS  27  25.840  22.453  20.398
  203    HG3  LYS  27           HG3      LYS  27  25.402  23.144  18.845
  204    HD2  LYS  27           HD2      LYS  27  23.468  24.345  20.128
  205    HD3  LYS  27           HD3      LYS  27  24.303  23.806  21.610
  206    HE2  LYS  27           HE2      LYS  27  26.424  24.755  20.554
  207    HE3  LYS  27           HE3      LYS  27  25.392  25.465  19.307
  208    HZ1  LYS  27           HZ1      LYS  27  24.303  26.798  21.043
  209    HZ2  LYS  27           HZ2      LYS  27  25.145  26.026  22.225
  210    HZ3  LYS  27           HZ3      LYS  27  25.941  27.000  21.197
  211    H    CYS  28           H        CYS  28  22.587  24.311  17.616
  212    HA   CYS  28           HA       CYS  28  23.652  23.744  14.960
  213    HB2  CYS  28           HB2      CYS  28  22.760  26.332  16.242
  214    HB3  CYS  28           HB3      CYS  28  23.086  26.084  14.519
  215    H    VAL  29           H        VAL  29  25.360  25.000  13.931
  216    HA   VAL  29           HA       VAL  29  27.397  26.281  15.619
  217    HB   VAL  29           HB       VAL  29  29.241  24.896  14.775
  218   HG11  VAL  29          HG11      VAL  29  27.243  23.178  16.273
  219   HG12  VAL  29          HG12      VAL  29  29.021  23.043  16.272
  220   HG13  VAL  29          HG13      VAL  29  28.243  24.455  17.011
  221   HG21  VAL  29          HG21      VAL  29  28.805  22.614  13.894
  222   HG22  VAL  29          HG22      VAL  29  27.088  23.009  13.732
  223   HG23  VAL  29          HG23      VAL  29  28.305  23.885  12.775
  224    HA   PRO  30           HA       PRO  30  27.573  28.569  11.881
  225    HB2  PRO  30           HB2      PRO  30  29.404  30.462  12.455
  226    HB3  PRO  30           HB3      PRO  30  27.988  30.138  13.499
  227    HG2  PRO  30           HG2      PRO  30  30.791  29.047  13.870
  228    HG3  PRO  30           HG3      PRO  30  29.796  29.965  15.062
  229    HD2  PRO  30           HD2      PRO  30  29.869  27.208  14.970
  230    HD3  PRO  30           HD3      PRO  30  28.430  28.144  15.470
  231    H    HIS  31           H        HIS  31  29.283  26.115  11.757
  232    HA   HIS  31           HA       HIS  31  31.626  26.778  10.155
  233    HB2  HIS  31           HB2      HIS  31  30.360  24.054  10.512
  234    HB3  HIS  31           HB3      HIS  31  31.999  24.409   9.968
  235    HD2  HIS  31           HD2      HIS  31  30.859  22.811  12.749
  236    HE1  HIS  31           HE1      HIS  31  33.166  25.823  14.682
  237    HE2  HIS  31           HE2      HIS  31  32.041  23.569  14.996
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  17.464   8.638  24.173
    2    H2   ALA   1           H2       ALA   1  16.724   8.266  22.758
    3    H3   ALA   1           H3       ALA   1  15.900   9.095  23.904
    4    HA   ALA   1           HA       ALA   1  17.487  10.934  23.717
    5    HB1  ALA   1           HB1      ALA   1  19.372   9.652  22.804
    6    HB2  ALA   1           HB2      ALA   1  18.462   9.317  21.320
    7    HB3  ALA   1           HB3      ALA   1  18.942  10.983  21.715
    8    H    PHE   2           H        PHE   2  16.018  12.420  23.305
    9    HA   PHE   2           HA       PHE   2  14.007  12.053  21.182
   10    HB2  PHE   2           HB2      PHE   2  14.267  14.164  23.345
   11    HB3  PHE   2           HB3      PHE   2  12.902  13.933  22.258
   12    HD1  PHE   2           HD1      PHE   2  11.414  11.939  22.464
   13    HD2  PHE   2           HD2      PHE   2  14.597  12.677  25.284
   14    HE1  PHE   2           HE1      PHE   2  10.442  10.262  24.007
   15    HE2  PHE   2           HE2      PHE   2  13.646  10.972  26.805
   16    HZ   PHE   2           HZ       PHE   2  11.551   9.762  26.177
   17    H    CYS   3           H        CYS   3  16.561  12.445  20.128
   18    HA   CYS   3           HA       CYS   3  16.943  15.271  19.444
   19    HB2  CYS   3           HB2      CYS   3  18.660  13.339  20.111
   20    HB3  CYS   3           HB3      CYS   3  18.635  13.026  18.376
   21    H    ASN   4           H        ASN   4  17.565  15.894  17.167
   22    HA   ASN   4           HA       ASN   4  16.359  14.291  14.979
   23    HB2  ASN   4           HB2      ASN   4  16.079  17.296  15.480
   24    HB3  ASN   4           HB3      ASN   4  15.845  16.555  13.910
   25   HD21  ASN   4          HD21      ASN   4  12.690  15.191  14.646
   26   HD22  ASN   4          HD22      ASN   4  14.088  15.043  13.590
   27    H    LEU   5           H        LEU   5  17.336  14.825  12.889
   28    HA   LEU   5           HA       LEU   5  19.916  16.299  12.970
   29    HB2  LEU   5           HB2      LEU   5  20.538  13.998  13.289
   30    HB3  LEU   5           HB3      LEU   5  19.549  13.483  11.923
   31    HG   LEU   5           HG       LEU   5  21.011  14.685  10.357
   32   HD11  LEU   5          HD11      LEU   5  22.671  15.390  12.816
   33   HD12  LEU   5          HD12      LEU   5  23.201  15.585  11.135
   34   HD13  LEU   5          HD13      LEU   5  21.846  16.542  11.734
   35   HD21  LEU   5          HD21      LEU   5  22.971  13.221  10.605
   36   HD22  LEU   5          HD22      LEU   5  22.533  12.906  12.294
   37   HD23  LEU   5          HD23      LEU   5  21.476  12.331  10.994
   38    H    ARG   6           H        ARG   6  17.831  14.516  10.612
   39    HA   ARG   6           HA       ARG   6  18.380  16.277   8.432
   40    HB2  ARG   6           HB2      ARG   6  17.471  13.944   8.350
   41    HB3  ARG   6           HB3      ARG   6  15.896  14.566   8.877
   42    HG2  ARG   6           HG2      ARG   6  15.878  16.041   6.825
   43    HG3  ARG   6           HG3      ARG   6  17.394  15.285   6.311
   44    HD2  ARG   6           HD2      ARG   6  14.746  13.849   6.791
   45    HD3  ARG   6           HD3      ARG   6  15.372  14.340   5.224
   46    HE   ARG   6           HE       ARG   6  16.588  12.265   7.016
   47   HH11  ARG   6          HH11      ARG   6  16.055  13.428   3.713
   48   HH12  ARG   6          HH12      ARG   6  16.900  12.045   3.025
   49   HH21  ARG   6          HH21      ARG   6  17.345  10.361   5.927
   50   HH22  ARG   6          HH22      ARG   6  17.190  10.337   4.194
   51    H    ARG   7           H        ARG   7  15.661  16.315  10.734
   52    HA   ARG   7           HA       ARG   7  14.506  18.853   9.891
   53    HB2  ARG   7           HB2      ARG   7  13.195  17.307  11.166
   54    HB3  ARG   7           HB3      ARG   7  14.408  17.155  12.402
   55    HG2  ARG   7           HG2      ARG   7  12.515  18.368  13.259
   56    HG3  ARG   7           HG3      ARG   7  13.970  19.349  13.292
   57    HD2  ARG   7           HD2      ARG   7  12.133  20.724  12.643
   58    HD3  ARG   7           HD3      ARG   7  13.189  20.541  11.232
   59    HE   ARG   7           HE       ARG   7  11.183  18.516  11.095
   60   HH11  ARG   7          HH11      ARG   7  11.179  22.012  11.093
   61   HH12  ARG   7          HH12      ARG   7   9.672  22.081  10.202
   62   HH21  ARG   7          HH21      ARG   7   9.468  18.638   9.844
   63   HH22  ARG   7          HH22      ARG   7   8.831  20.203   9.317
   64    H    CYS   8           H        CYS   8  16.878  17.980  12.363
   65    HA   CYS   8           HA       CYS   8  17.144  20.486  13.637
   66    HB2  CYS   8           HB2      CYS   8  18.064  18.335  14.502
   67    HB3  CYS   8           HB3      CYS   8  19.273  18.366  13.217
   68    H    GLU   9           H        GLU   9  18.951  19.349  10.718
   69    HA   GLU   9           HA       GLU   9  20.489  21.739  10.313
   70    HB2  GLU   9           HB2      GLU   9  19.347  19.703   8.350
   71    HB3  GLU   9           HB3      GLU   9  20.508  20.970   7.909
   72    HG2  GLU   9           HG2      GLU   9  22.207  20.010   9.317
   73    HG3  GLU   9           HG3      GLU   9  21.103  18.856  10.014
   74    H    LEU  10           H        LEU  10  17.096  21.107   9.395
   75    HA   LEU  10           HA       LEU  10  16.860  23.542   7.805
   76    HB2  LEU  10           HB2      LEU  10  14.672  21.871   9.088
   77    HB3  LEU  10           HB3      LEU  10  14.470  23.098   7.845
   78    HG   LEU  10           HG       LEU  10  15.925  20.441   7.507
   79   HD11  LEU  10          HD11      LEU  10  13.462  20.273   7.685
   80   HD12  LEU  10          HD12      LEU  10  13.292  21.479   6.387
   81   HD13  LEU  10          HD13      LEU  10  14.020  19.897   6.051
   82   HD21  LEU  10          HD21      LEU  10  16.955  22.111   6.028
   83   HD22  LEU  10          HD22      LEU  10  15.934  21.031   5.079
   84   HD23  LEU  10          HD23      LEU  10  15.348  22.660   5.486
   85    H    SER  11           H        SER  11  16.179  22.644  11.188
   86    HA   SER  11           HA       SER  11  15.116  25.162  12.047
   87    HB2  SER  11           HB2      SER  11  16.695  23.117  13.652
   88    HB3  SER  11           HB3      SER  11  15.625  24.374  14.291
   89    HG   SER  11           HG       SER  11  14.584  22.396  14.183
   90    H    CYS  12           H        CYS  12  18.486  24.123  11.581
   91    HA   CYS  12           HA       CYS  12  19.545  26.488  12.900
   92    HB2  CYS  12           HB2      CYS  12  20.784  24.254  11.298
   93    HB3  CYS  12           HB3      CYS  12  21.700  25.595  11.993
   94    H    ARG  13           H        ARG  13  18.409  26.009   9.689
   95    HA   ARG  13           HA       ARG  13  19.742  28.074   8.257
   96    HB2  ARG  13           HB2      ARG  13  16.746  27.477   8.252
   97    HB3  ARG  13           HB3      ARG  13  17.633  28.394   7.043
   98    HG2  ARG  13           HG2      ARG  13  19.029  26.352   6.558
   99    HG3  ARG  13           HG3      ARG  13  17.956  25.432   7.613
  100    HD2  ARG  13           HD2      ARG  13  17.243  26.901   5.056
  101    HD3  ARG  13           HD3      ARG  13  17.303  25.154   5.275
  102    HE   ARG  13           HE       ARG  13  15.384  25.913   7.106
  103   HH11  ARG  13          HH11      ARG  13  15.623  26.919   3.739
  104   HH12  ARG  13          HH12      ARG  13  13.938  26.584   3.459
  105   HH21  ARG  13          HH21      ARG  13  13.128  25.959   6.651
  106   HH22  ARG  13          HH22      ARG  13  12.639  26.147   4.991
  107    H    SER  14           H        SER  14  17.609  28.379  10.984
  108    HA   SER  14           HA       SER  14  16.639  30.914  11.095
  109    HB2  SER  14           HB2      SER  14  16.960  30.740  13.513
  110    HB3  SER  14           HB3      SER  14  16.445  29.213  12.846
  111    HG   SER  14           HG       SER  14  18.150  28.818  14.220
  112    H    LEU  15           H        LEU  15  20.050  30.042  11.596
  113    HA   LEU  15           HA       LEU  15  20.889  32.908  11.512
  114    HB2  LEU  15           HB2      LEU  15  21.830  30.650  13.309
  115    HB3  LEU  15           HB3      LEU  15  22.574  32.247  13.270
  116    HG   LEU  15           HG       LEU  15  19.656  31.792  14.034
  117   HD11  LEU  15          HD11      LEU  15  21.045  30.576  15.604
  118   HD12  LEU  15          HD12      LEU  15  22.105  31.985  15.799
  119   HD13  LEU  15          HD13      LEU  15  20.422  32.047  16.371
  120   HD21  LEU  15          HD21      LEU  15  20.235  34.105  13.320
  121   HD22  LEU  15          HD22      LEU  15  19.855  34.006  15.052
  122   HD23  LEU  15          HD23      LEU  15  21.544  34.131  14.519
  123    H    GLY  16           H        GLY  16  20.785  30.681   9.469
  124    HA2  GLY  16           HA2      GLY  16  22.012  30.055   7.628
  125    HA3  GLY  16           HA3      GLY  16  23.288  31.165   8.130
  126    H    LEU  17           H        LEU  17  22.361  28.622  10.364
  127    HA   LEU  17           HA       LEU  17  25.124  27.552  10.229
  128    HB2  LEU  17           HB2      LEU  17  22.939  27.090  12.275
  129    HB3  LEU  17           HB3      LEU  17  24.622  26.647  12.462
  130    HG   LEU  17           HG       LEU  17  23.556  29.449  12.216
  131   HD11  LEU  17          HD11      LEU  17  23.885  29.766  14.588
  132   HD12  LEU  17          HD12      LEU  17  22.729  28.464  14.305
  133   HD13  LEU  17          HD13      LEU  17  24.417  28.095  14.779
  134   HD21  LEU  17          HD21      LEU  17  26.211  28.320  13.164
  135   HD22  LEU  17          HD22      LEU  17  25.955  29.197  11.622
  136   HD23  LEU  17          HD23      LEU  17  25.789  30.053  13.162
  137    H    LEU  18           H        LEU  18  25.406  25.303  10.822
  138    HA   LEU  18           HA       LEU  18  23.546  23.426   9.436
  139    HB2  LEU  18           HB2      LEU  18  26.480  23.453   9.952
  140    HB3  LEU  18           HB3      LEU  18  25.714  21.924  10.361
  141    HG   LEU  18           HG       LEU  18  25.421  23.294   7.652
  142   HD11  LEU  18          HD11      LEU  18  26.961  21.555   6.850
  143   HD12  LEU  18          HD12      LEU  18  27.742  22.534   8.093
  144   HD13  LEU  18          HD13      LEU  18  27.137  20.920   8.503
  145   HD21  LEU  18          HD21      LEU  18  24.615  20.997   6.980
  146   HD22  LEU  18          HD22      LEU  18  24.629  20.522   8.680
  147   HD23  LEU  18          HD23      LEU  18  23.521  21.790   8.092
  148    H    GLY  19           H        GLY  19  23.069  21.403  10.662
  149    HA2  GLY  19           HA2      GLY  19  22.695  21.934  13.593
  150    HA3  GLY  19           HA3      GLY  19  21.509  21.102  12.597
  151    H    LYS  20           H        LYS  20  23.132  20.344  15.022
  152    HA   LYS  20           HA       LYS  20  23.976  17.624  14.141
  153    HB2  LYS  20           HB2      LYS  20  25.571  19.544  15.907
  154    HB3  LYS  20           HB3      LYS  20  25.922  17.825  15.765
  155    HG2  LYS  20           HG2      LYS  20  26.028  19.784  13.438
  156    HG3  LYS  20           HG3      LYS  20  27.413  19.297  14.418
  157    HD2  LYS  20           HD2      LYS  20  27.207  16.979  13.700
  158    HD3  LYS  20           HD3      LYS  20  25.694  17.323  12.855
  159    HE2  LYS  20           HE2      LYS  20  27.380  17.206  11.208
  160    HE3  LYS  20           HE3      LYS  20  26.869  18.891  11.346
  161    HZ1  LYS  20           HZ1      LYS  20  29.369  17.722  12.477
  162    HZ2  LYS  20           HZ2      LYS  20  29.252  18.773  11.215
  163    HZ3  LYS  20           HZ3      LYS  20  28.908  19.276  12.709
  164    H    CYS  21           H        CYS  21  23.872  16.048  15.766
  165    HA   CYS  21           HA       CYS  21  22.123  16.748  18.094
  166    HB2  CYS  21           HB2      CYS  21  21.482  14.771  16.663
  167    HB3  CYS  21           HB3      CYS  21  22.998  14.002  17.164
  168    H    ILE  22           H        ILE  22  23.239  17.353  19.882
  169    HA   ILE  22           HA       ILE  22  25.899  16.076  20.453
  170    HB   ILE  22           HB       ILE  22  25.247  19.019  20.659
  171   HG12  ILE  22          HG12      ILE  22  27.148  17.508  18.807
  172   HG13  ILE  22          HG13      ILE  22  25.663  18.333  18.334
  173   HG21  ILE  22          HG21      ILE  22  27.575  19.294  21.437
  174   HG22  ILE  22          HG22      ILE  22  26.699  18.237  22.528
  175   HG23  ILE  22          HG23      ILE  22  27.823  17.537  21.345
  176   HD11  ILE  22          HD11      ILE  22  27.492  19.715  17.688
  177   HD12  ILE  22          HD12      ILE  22  26.678  20.514  19.046
  178   HD13  ILE  22          HD13      ILE  22  28.219  19.656  19.296
  179    H    GLY  23           H        GLY  23  25.503  14.856  22.120
  180    HA2  GLY  23           HA2      GLY  23  24.833  14.129  24.211
  181    HA3  GLY  23           HA3      GLY  23  24.657  15.815  24.697
  182    H    GLU  24           H        GLU  24  23.011  13.580  22.410
  183    HA   GLU  24           HA       GLU  24  20.864  13.037  22.016
  184    HB2  GLU  24           HB2      GLU  24  20.459  13.309  25.010
  185    HB3  GLU  24           HB3      GLU  24  19.538  12.321  23.873
  186    HG2  GLU  24           HG2      GLU  24  21.768  11.166  23.311
  187    HG3  GLU  24           HG3      GLU  24  22.420  11.928  24.773
  188    H    GLU  25           H        GLU  25  21.460  16.018  22.072
  189    HA   GLU  25           HA       GLU  25  18.695  16.815  21.516
  190    HB2  GLU  25           HB2      GLU  25  18.777  18.843  22.814
  191    HB3  GLU  25           HB3      GLU  25  19.082  17.453  23.865
  192    HG2  GLU  25           HG2      GLU  25  21.592  17.988  23.540
  193    HG3  GLU  25           HG3      GLU  25  21.079  19.496  22.810
  194    H    CYS  26           H        CYS  26  18.426  18.370  19.997
  195    HA   CYS  26           HA       CYS  26  20.522  18.651  18.002
  196    HB2  CYS  26           HB2      CYS  26  18.275  18.415  17.242
  197    HB3  CYS  26           HB3      CYS  26  17.693  19.649  18.350
  198    H    LYS  27           H        LYS  27  21.862  20.356  17.625
  199    HA   LYS  27           HA       LYS  27  21.144  23.059  18.364
  200    HB2  LYS  27           HB2      LYS  27  23.085  23.628  19.716
  201    HB3  LYS  27           HB3      LYS  27  22.008  22.493  20.492
  202    HG2  LYS  27           HG2      LYS  27  23.654  20.625  19.689
  203    HG3  LYS  27           HG3      LYS  27  24.731  21.968  19.281
  204    HD2  LYS  27           HD2      LYS  27  25.353  21.276  21.497
  205    HD3  LYS  27           HD3      LYS  27  24.432  22.780  21.692
  206    HE2  LYS  27           HE2      LYS  27  22.366  21.377  22.117
  207    HE3  LYS  27           HE3      LYS  27  23.364  19.927  22.059
  208    HZ1  LYS  27           HZ1      LYS  27  22.896  20.817  24.318
  209    HZ2  LYS  27           HZ2      LYS  27  24.497  20.670  24.054
  210    HZ3  LYS  27           HZ3      LYS  27  23.798  22.150  24.000
  211    H    CYS  28           H        CYS  28  22.701  24.678  17.571
  212    HA   CYS  28           HA       CYS  28  23.409  23.785  14.861
  213    HB2  CYS  28           HB2      CYS  28  23.080  26.534  16.046
  214    HB3  CYS  28           HB3      CYS  28  23.322  26.171  14.333
  215    H    VAL  29           H        VAL  29  25.253  24.750  13.688
  216    HA   VAL  29           HA       VAL  29  27.655  25.141  15.389
  217    HB   VAL  29           HB       VAL  29  28.852  23.317  14.311
  218   HG11  VAL  29          HG11      VAL  29  27.978  21.481  15.568
  219   HG12  VAL  29          HG12      VAL  29  27.777  22.959  16.517
  220   HG13  VAL  29          HG13      VAL  29  26.378  22.233  15.687
  221   HG21  VAL  29          HG21      VAL  29  26.170  22.430  13.175
  222   HG22  VAL  29          HG22      VAL  29  27.556  23.030  12.228
  223   HG23  VAL  29          HG23      VAL  29  27.681  21.518  13.118
  224    HA   PRO  30           HA       PRO  30  29.110  27.392  11.783
  225    HB2  PRO  30           HB2      PRO  30  31.576  28.098  12.587
  226    HB3  PRO  30           HB3      PRO  30  30.100  28.658  13.420
  227    HG2  PRO  30           HG2      PRO  30  31.907  26.355  14.211
  228    HG3  PRO  30           HG3      PRO  30  31.303  27.686  15.248
  229    HD2  PRO  30           HD2      PRO  30  30.098  25.197  15.056
  230    HD3  PRO  30           HD3      PRO  30  29.209  26.691  15.450
  231    H    HIS  31           H        HIS  31  28.805  25.096  10.994
  232    HA   HIS  31           HA       HIS  31  29.303  23.469   9.497
  233    HB2  HIS  31           HB2      HIS  31  31.334  25.512   8.561
  234    HB3  HIS  31           HB3      HIS  31  30.617  24.224   7.601
  235    HD2  HIS  31           HD2      HIS  31  28.040  24.492   6.858
  236    HE1  HIS  31           HE1      HIS  31  27.342  28.359   8.497
  237    HE2  HIS  31           HE2      HIS  31  26.353  26.515   7.037
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1  12.880  16.216  24.661
    2    H2   ALA   1           H2       ALA   1  12.819  14.763  25.415
    3    H3   ALA   1           H3       ALA   1  11.455  15.693  25.267
    4    HA   ALA   1           HA       ALA   1  11.383  13.880  23.689
    5    HB1  ALA   1           HB1      ALA   1  10.262  15.957  23.044
    6    HB2  ALA   1           HB2      ALA   1  11.793  16.641  22.449
    7    HB3  ALA   1           HB3      ALA   1  11.056  15.260  21.626
    8    H    PHE   2           H        PHE   2  12.273  12.933  21.729
    9    HA   PHE   2           HA       PHE   2  15.143  12.565  21.865
   10    HB2  PHE   2           HB2      PHE   2  13.104  11.644  19.817
   11    HB3  PHE   2           HB3      PHE   2  14.724  11.011  20.006
   12    HD1  PHE   2           HD1      PHE   2  14.492  11.018  23.251
   13    HD2  PHE   2           HD2      PHE   2  12.123   9.425  20.012
   14    HE1  PHE   2           HE1      PHE   2  13.539   9.337  24.771
   15    HE2  PHE   2           HE2      PHE   2  11.220   7.696  21.540
   16    HZ   PHE   2           HZ       PHE   2  11.892   7.669  23.935
   17    H    CYS   3           H        CYS   3  16.628  12.724  20.138
   18    HA   CYS   3           HA       CYS   3  17.008  15.376  19.280
   19    HB2  CYS   3           HB2      CYS   3  18.617  13.425  19.828
   20    HB3  CYS   3           HB3      CYS   3  18.398  12.916  18.164
   21    H    ASN   4           H        ASN   4  17.602  16.094  17.012
   22    HA   ASN   4           HA       ASN   4  16.375  14.614  14.787
   23    HB2  ASN   4           HB2      ASN   4  15.846  17.535  15.508
   24    HB3  ASN   4           HB3      ASN   4  15.740  16.953  13.849
   25   HD21  ASN   4          HD21      ASN   4  12.857  14.961  14.335
   26   HD22  ASN   4          HD22      ASN   4  14.345  15.080  13.417
   27    H    LEU   5           H        LEU   5  17.292  15.265  12.734
   28    HA   LEU   5           HA       LEU   5  19.882  16.713  12.889
   29    HB2  LEU   5           HB2      LEU   5  20.323  14.232  13.012
   30    HB3  LEU   5           HB3      LEU   5  19.572  14.067  11.433
   31    HG   LEU   5           HG       LEU   5  21.323  15.769  10.577
   32   HD11  LEU   5          HD11      LEU   5  23.425  15.842  11.905
   33   HD12  LEU   5          HD12      LEU   5  22.094  16.626  12.766
   34   HD13  LEU   5          HD13      LEU   5  22.618  14.990  13.233
   35   HD21  LEU   5          HD21      LEU   5  22.275  13.073  11.624
   36   HD22  LEU   5          HD22      LEU   5  21.419  13.350  10.091
   37   HD23  LEU   5          HD23      LEU   5  23.038  14.030  10.337
   38    H    ARG   6           H        ARG   6  17.912  15.041  10.363
   39    HA   ARG   6           HA       ARG   6  18.311  17.078   8.398
   40    HB2  ARG   6           HB2      ARG   6  16.369  14.793   8.727
   41    HB3  ARG   6           HB3      ARG   6  16.027  16.019   7.521
   42    HG2  ARG   6           HG2      ARG   6  17.201  14.131   6.560
   43    HG3  ARG   6           HG3      ARG   6  18.075  15.639   6.347
   44    HD2  ARG   6           HD2      ARG   6  18.840  13.849   8.660
   45    HD3  ARG   6           HD3      ARG   6  19.256  13.361   7.022
   46    HE   ARG   6           HE       ARG   6  20.060  16.120   7.868
   47   HH11  ARG   6          HH11      ARG   6  21.227  12.841   7.053
   48   HH12  ARG   6          HH12      ARG   6  22.773  13.541   6.616
   49   HH21  ARG   6          HH21      ARG   6  22.130  16.709   7.525
   50   HH22  ARG   6          HH22      ARG   6  23.276  15.508   6.928
   51    H    ARG   7           H        ARG   7  15.597  16.773  10.718
   52    HA   ARG   7           HA       ARG   7  14.355  19.301   9.862
   53    HB2  ARG   7           HB2      ARG   7  14.036  17.446  12.240
   54    HB3  ARG   7           HB3      ARG   7  13.320  19.056  12.262
   55    HG2  ARG   7           HG2      ARG   7  11.984  18.588  10.284
   56    HG3  ARG   7           HG3      ARG   7  12.784  17.032  10.057
   57    HD2  ARG   7           HD2      ARG   7  10.587  16.714  11.107
   58    HD3  ARG   7           HD3      ARG   7  11.899  16.210  12.183
   59    HE   ARG   7           HE       ARG   7  10.946  18.977  12.560
   60   HH11  ARG   7          HH11      ARG   7  10.490  15.618  13.726
   61   HH12  ARG   7          HH12      ARG   7   9.720  16.253  15.183
   62   HH21  ARG   7          HH21      ARG   7  10.204  19.508  14.627
   63   HH22  ARG   7          HH22      ARG   7   9.557  18.212  15.628
   64    H    CYS   8           H        CYS   8  16.711  18.426  12.386
   65    HA   CYS   8           HA       CYS   8  16.699  20.957  13.718
   66    HB2  CYS   8           HB2      CYS   8  17.764  18.888  14.667
   67    HB3  CYS   8           HB3      CYS   8  19.006  18.999  13.413
   68    H    GLU   9           H        GLU   9  18.710  19.799  10.967
   69    HA   GLU   9           HA       GLU   9  20.265  22.097  10.510
   70    HB2  GLU   9           HB2      GLU   9  19.115  19.997   8.664
   71    HB3  GLU   9           HB3      GLU   9  20.254  21.221   8.096
   72    HG2  GLU   9           HG2      GLU   9  22.005  20.450   9.504
   73    HG3  GLU   9           HG3      GLU   9  20.943  19.403  10.430
   74    H    LEU  10           H        LEU  10  16.859  21.581   9.517
   75    HA   LEU  10           HA       LEU  10  16.778  23.877   7.720
   76    HB2  LEU  10           HB2      LEU  10  14.543  22.349   9.112
   77    HB3  LEU  10           HB3      LEU  10  14.314  23.545   7.844
   78    HG   LEU  10           HG       LEU  10  15.774  20.893   7.523
   79   HD11  LEU  10          HD11      LEU  10  13.032  21.783   6.543
   80   HD12  LEU  10          HD12      LEU  10  13.810  20.216   6.216
   81   HD13  LEU  10          HD13      LEU  10  13.340  20.642   7.869
   82   HD21  LEU  10          HD21      LEU  10  15.605  21.389   5.080
   83   HD22  LEU  10          HD22      LEU  10  14.996  23.013   5.476
   84   HD23  LEU  10          HD23      LEU  10  16.649  22.532   5.926
   85    H    SER  11           H        SER  11  15.741  23.321  11.103
   86    HA   SER  11           HA       SER  11  14.965  26.053  11.644
   87    HB2  SER  11           HB2      SER  11  15.888  23.758  13.414
   88    HB3  SER  11           HB3      SER  11  15.491  25.359  14.057
   89    HG   SER  11           HG       SER  11  13.720  23.772  12.472
   90    H    CYS  12           H        CYS  12  18.143  24.382  11.898
   91    HA   CYS  12           HA       CYS  12  19.588  26.675  12.821
   92    HB2  CYS  12           HB2      CYS  12  20.467  24.240  11.234
   93    HB3  CYS  12           HB3      CYS  12  21.556  25.384  11.965
   94    H    ARG  13           H        ARG  13  18.661  25.713   9.483
   95    HA   ARG  13           HA       ARG  13  20.377  27.485   8.074
   96    HB2  ARG  13           HB2      ARG  13  18.875  25.545   7.225
   97    HB3  ARG  13           HB3      ARG  13  17.573  26.734   7.187
   98    HG2  ARG  13           HG2      ARG  13  18.985  28.128   5.614
   99    HG3  ARG  13           HG3      ARG  13  20.237  26.877   5.693
  100    HD2  ARG  13           HD2      ARG  13  18.971  26.515   3.677
  101    HD3  ARG  13           HD3      ARG  13  18.583  25.213   4.803
  102    HE   ARG  13           HE       ARG  13  16.763  27.544   4.871
  103   HH11  ARG  13          HH11      ARG  13  17.182  24.440   3.227
  104   HH12  ARG  13          HH12      ARG  13  15.435  24.243   3.139
  105   HH21  ARG  13          HH21      ARG  13  14.691  27.317   4.302
  106   HH22  ARG  13          HH22      ARG  13  14.106  25.767   3.711
  107    H    SER  14           H        SER  14  17.386  28.196   9.831
  108    HA   SER  14           HA       SER  14  16.852  30.765   8.727
  109    HB2  SER  14           HB2      SER  14  16.401  29.846  11.583
  110    HB3  SER  14           HB3      SER  14  15.585  31.188  10.759
  111    HG   SER  14           HG       SER  14  14.781  29.623   9.246
  112    H    LEU  15           H        LEU  15  19.573  29.841  10.721
  113    HA   LEU  15           HA       LEU  15  20.338  32.723  10.986
  114    HB2  LEU  15           HB2      LEU  15  20.972  30.363  12.779
  115    HB3  LEU  15           HB3      LEU  15  21.645  31.980  12.986
  116    HG   LEU  15           HG       LEU  15  18.678  31.278  13.175
  117   HD11  LEU  15          HD11      LEU  15  20.724  31.761  15.383
  118   HD12  LEU  15          HD12      LEU  15  18.978  31.518  15.606
  119   HD13  LEU  15          HD13      LEU  15  19.970  30.205  14.971
  120   HD21  LEU  15          HD21      LEU  15  20.194  33.801  13.990
  121   HD22  LEU  15          HD22      LEU  15  19.073  33.659  12.618
  122   HD23  LEU  15          HD23      LEU  15  18.469  33.484  14.268
  123    H    GLY  16           H        GLY  16  20.789  30.338   8.940
  124    HA2  GLY  16           HA2      GLY  16  22.432  29.610   7.538
  125    HA3  GLY  16           HA3      GLY  16  23.435  30.966   8.058
  126    H    LEU  17           H        LEU  17  22.193  28.270  10.081
  127    HA   LEU  17           HA       LEU  17  25.015  27.512  10.730
  128    HB2  LEU  17           HB2      LEU  17  22.547  26.998  12.371
  129    HB3  LEU  17           HB3      LEU  17  24.192  26.775  12.886
  130    HG   LEU  17           HG       LEU  17  22.899  29.410  12.222
  131   HD11  LEU  17          HD11      LEU  17  23.403  28.282  14.989
  132   HD12  LEU  17          HD12      LEU  17  22.708  29.857  14.600
  133   HD13  LEU  17          HD13      LEU  17  21.807  28.392  14.195
  134   HD21  LEU  17          HD21      LEU  17  24.792  30.392  13.447
  135   HD22  LEU  17          HD22      LEU  17  25.402  28.748  13.782
  136   HD23  LEU  17          HD23      LEU  17  25.383  29.394  12.107
  137    H    LEU  18           H        LEU  18  25.385  25.383  11.335
  138    HA   LEU  18           HA       LEU  18  24.042  23.237   9.761
  139    HB2  LEU  18           HB2      LEU  18  26.463  23.452   9.476
  140    HB3  LEU  18           HB3      LEU  18  26.708  23.512  11.212
  141    HG   LEU  18           HG       LEU  18  25.960  21.157  11.407
  142   HD11  LEU  18          HD11      LEU  18  24.534  20.941   9.401
  143   HD12  LEU  18          HD12      LEU  18  25.925  21.294   8.357
  144   HD13  LEU  18          HD13      LEU  18  25.868  19.792   9.298
  145   HD21  LEU  18          HD21      LEU  18  28.225  21.650   9.427
  146   HD22  LEU  18          HD22      LEU  18  28.349  21.695  11.201
  147   HD23  LEU  18          HD23      LEU  18  27.984  20.172  10.377
  148    H    GLY  19           H        GLY  19  23.257  21.357  10.989
  149    HA2  GLY  19           HA2      GLY  19  22.971  21.753  13.955
  150    HA3  GLY  19           HA3      GLY  19  21.681  21.097  12.952
  151    H    LYS  20           H        LYS  20  23.800  20.135  15.159
  152    HA   LYS  20           HA       LYS  20  24.161  17.390  14.027
  153    HB2  LYS  20           HB2      LYS  20  26.235  19.094  15.400
  154    HB3  LYS  20           HB3      LYS  20  26.334  17.329  15.292
  155    HG2  LYS  20           HG2      LYS  20  26.189  17.425  12.827
  156    HG3  LYS  20           HG3      LYS  20  26.018  19.184  12.887
  157    HD2  LYS  20           HD2      LYS  20  28.255  18.668  12.321
  158    HD3  LYS  20           HD3      LYS  20  28.181  19.409  13.929
  159    HE2  LYS  20           HE2      LYS  20  28.454  17.152  14.964
  160    HE3  LYS  20           HE3      LYS  20  28.495  16.422  13.352
  161    HZ1  LYS  20           HZ1      LYS  20  30.729  16.754  14.220
  162    HZ2  LYS  20           HZ2      LYS  20  30.507  17.729  12.897
  163    HZ3  LYS  20           HZ3      LYS  20  30.471  18.399  14.360
  164    H    CYS  21           H        CYS  21  24.092  15.691  15.545
  165    HA   CYS  21           HA       CYS  21  22.578  16.352  18.009
  166    HB2  CYS  21           HB2      CYS  21  21.849  14.529  16.366
  167    HB3  CYS  21           HB3      CYS  21  23.191  13.575  17.015
  168    H    ILE  22           H        ILE  22  23.382  16.232  20.032
  169    HA   ILE  22           HA       ILE  22  26.229  15.349  20.415
  170    HB   ILE  22           HB       ILE  22  26.595  17.402  21.704
  171   HG12  ILE  22          HG12      ILE  22  23.977  18.511  20.621
  172   HG13  ILE  22          HG13      ILE  22  24.070  17.746  22.205
  173   HG21  ILE  22          HG21      ILE  22  25.674  18.045  18.879
  174   HG22  ILE  22          HG22      ILE  22  26.864  18.925  19.851
  175   HG23  ILE  22          HG23      ILE  22  27.222  17.283  19.316
  176   HD11  ILE  22          HD11      ILE  22  24.274  20.113  22.494
  177   HD12  ILE  22          HD12      ILE  22  25.832  19.367  22.895
  178   HD13  ILE  22          HD13      ILE  22  25.621  20.207  21.338
  179    H    GLY  23           H        GLY  23  23.293  14.529  21.566
  180    HA2  GLY  23           HA2      GLY  23  24.011  13.304  23.932
  181    HA3  GLY  23           HA3      GLY  23  23.665  14.955  24.448
  182    H    GLU  24           H        GLU  24  22.034  12.813  22.061
  183    HA   GLU  24           HA       GLU  24  19.837  12.405  21.659
  184    HB2  GLU  24           HB2      GLU  24  19.320  12.636  24.636
  185    HB3  GLU  24           HB3      GLU  24  18.327  11.823  23.435
  186    HG2  GLU  24           HG2      GLU  24  21.129  11.001  24.327
  187    HG3  GLU  24           HG3      GLU  24  19.609  10.238  24.766
  188    H    GLU  25           H        GLU  25  20.890  15.084  21.675
  189    HA   GLU  25           HA       GLU  25  18.497  16.582  21.064
  190    HB2  GLU  25           HB2      GLU  25  18.913  18.449  22.536
  191    HB3  GLU  25           HB3      GLU  25  18.695  16.970  23.469
  192    HG2  GLU  25           HG2      GLU  25  21.284  16.852  23.578
  193    HG3  GLU  25           HG3      GLU  25  21.261  18.516  22.991
  194    H    CYS  26           H        CYS  26  18.932  18.256  19.659
  195    HA   CYS  26           HA       CYS  26  21.653  18.289  18.479
  196    HB2  CYS  26           HB2      CYS  26  19.792  17.625  17.059
  197    HB3  CYS  26           HB3      CYS  26  18.948  19.131  17.412
  198    H    LYS  27           H        LYS  27  22.824  20.117  18.162
  199    HA   LYS  27           HA       LYS  27  21.702  22.737  19.039
  200    HB2  LYS  27           HB2      LYS  27  23.274  21.718  20.781
  201    HB3  LYS  27           HB3      LYS  27  24.574  21.962  19.607
  202    HG2  LYS  27           HG2      LYS  27  23.844  24.443  19.540
  203    HG3  LYS  27           HG3      LYS  27  22.792  24.075  20.905
  204    HD2  LYS  27           HD2      LYS  27  25.830  23.919  20.804
  205    HD3  LYS  27           HD3      LYS  27  24.859  25.092  21.694
  206    HE2  LYS  27           HE2      LYS  27  23.983  23.313  23.161
  207    HE3  LYS  27           HE3      LYS  27  24.837  22.097  22.214
  208    HZ1  LYS  27           HZ1      LYS  27  26.960  23.172  22.926
  209    HZ2  LYS  27           HZ2      LYS  27  26.124  24.142  23.932
  210    HZ3  LYS  27           HZ3      LYS  27  26.064  22.539  24.152
  211    H    CYS  28           H        CYS  28  22.020  24.370  17.634
  212    HA   CYS  28           HA       CYS  28  23.210  23.823  15.068
  213    HB2  CYS  28           HB2      CYS  28  22.343  26.460  16.257
  214    HB3  CYS  28           HB3      CYS  28  22.752  26.186  14.570
  215    H    VAL  29           H        VAL  29  24.985  25.011  14.059
  216    HA   VAL  29           HA       VAL  29  26.903  26.421  15.772
  217    HB   VAL  29           HB       VAL  29  28.836  25.072  15.087
  218   HG11  VAL  29          HG11      VAL  29  28.609  23.285  16.674
  219   HG12  VAL  29          HG12      VAL  29  27.779  24.723  17.298
  220   HG13  VAL  29          HG13      VAL  29  26.845  23.382  16.613
  221   HG21  VAL  29          HG21      VAL  29  26.822  23.029  14.069
  222   HG22  VAL  29          HG22      VAL  29  28.042  23.906  13.105
  223   HG23  VAL  29          HG23      VAL  29  28.551  22.737  14.315
  224    HA   PRO  30           HA       PRO  30  27.635  28.335  11.768
  225    HB2  PRO  30           HB2      PRO  30  29.561  30.119  12.363
  226    HB3  PRO  30           HB3      PRO  30  27.925  30.188  13.079
  227    HG2  PRO  30           HG2      PRO  30  30.450  29.045  14.327
  228    HG3  PRO  30           HG3      PRO  30  29.263  30.172  15.062
  229    HD2  PRO  30           HD2      PRO  30  29.218  27.402  15.380
  230    HD3  PRO  30           HD3      PRO  30  27.770  28.449  15.528
  231    H    HIS  31           H        HIS  31  28.288  26.003  11.437
  232    HA   HIS  31           HA       HIS  31  29.606  24.339  10.610
  233    HB2  HIS  31           HB2      HIS  31  30.715  26.656   9.023
  234    HB3  HIS  31           HB3      HIS  31  30.785  24.964   8.564
  235    HD2  HIS  31           HD2      HIS  31  28.576  23.833   7.636
  236    HE1  HIS  31           HE1      HIS  31  26.058  27.247   7.726
  237    HE2  HIS  31           HE2      HIS  31  26.259  24.882   6.865
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1  14.655  15.174  26.932
    2    H2   ALA   1           H2       ALA   1  15.531  13.904  26.358
    3    H3   ALA   1           H3       ALA   1  13.896  13.972  26.121
    4    HA   ALA   1           HA       ALA   1  14.101  15.918  24.777
    5    HB1  ALA   1           HB1      ALA   1  17.105  15.469  25.011
    6    HB2  ALA   1           HB2      ALA   1  16.286  16.687  24.013
    7    HB3  ALA   1           HB3      ALA   1  16.193  16.788  25.783
    8    H    PHE   2           H        PHE   2  14.099  15.675  22.548
    9    HA   PHE   2           HA       PHE   2  14.883  12.985  21.510
   10    HB2  PHE   2           HB2      PHE   2  12.487  14.616  20.650
   11    HB3  PHE   2           HB3      PHE   2  12.946  13.018  20.065
   12    HD1  PHE   2           HD1      PHE   2  13.525  11.401  22.351
   13    HD2  PHE   2           HD2      PHE   2  10.539  14.486  21.982
   14    HE1  PHE   2           HE1      PHE   2  12.249  10.378  24.200
   15    HE2  PHE   2           HE2      PHE   2   9.284  13.471  23.870
   16    HZ   PHE   2           HZ       PHE   2  10.136  11.419  24.982
   17    H    CYS   3           H        CYS   3  16.273  12.925  19.983
   18    HA   CYS   3           HA       CYS   3  17.437  15.438  19.058
   19    HB2  CYS   3           HB2      CYS   3  18.483  13.169  20.023
   20    HB3  CYS   3           HB3      CYS   3  18.538  12.746  18.328
   21    H    ASN   4           H        ASN   4  16.770  16.370  17.142
   22    HA   ASN   4           HA       ASN   4  16.047  14.578  14.856
   23    HB2  ASN   4           HB2      ASN   4  15.607  17.542  15.337
   24    HB3  ASN   4           HB3      ASN   4  15.517  16.823  13.742
   25   HD21  ASN   4          HD21      ASN   4  12.405  15.272  14.238
   26   HD22  ASN   4          HD22      ASN   4  13.821  15.383  13.196
   27    H    LEU   5           H        LEU   5  17.031  15.172  12.742
   28    HA   LEU   5           HA       LEU   5  19.755  16.356  12.998
   29    HB2  LEU   5           HB2      LEU   5  19.653  13.751  12.980
   30    HB3  LEU   5           HB3      LEU   5  19.351  13.920  11.257
   31    HG   LEU   5           HG       LEU   5  21.753  15.007  12.801
   32   HD11  LEU   5          HD11      LEU   5  23.010  13.275  11.612
   33   HD12  LEU   5          HD12      LEU   5  21.710  12.545  12.564
   34   HD13  LEU   5          HD13      LEU   5  21.526  12.720  10.806
   35   HD21  LEU   5          HD21      LEU   5  22.747  15.361  10.509
   36   HD22  LEU   5          HD22      LEU   5  21.138  15.087   9.816
   37   HD23  LEU   5          HD23      LEU   5  21.439  16.472  10.898
   38    H    ARG   6           H        ARG   6  17.684  15.068  10.274
   39    HA   ARG   6           HA       ARG   6  18.471  17.248   8.589
   40    HB2  ARG   6           HB2      ARG   6  17.600  15.035   7.810
   41    HB3  ARG   6           HB3      ARG   6  15.997  15.465   8.390
   42    HG2  ARG   6           HG2      ARG   6  16.293  15.744   5.935
   43    HG3  ARG   6           HG3      ARG   6  15.762  17.208   6.747
   44    HD2  ARG   6           HD2      ARG   6  17.534  17.422   4.893
   45    HD3  ARG   6           HD3      ARG   6  17.772  18.312   6.402
   46    HE   ARG   6           HE       ARG   6  19.068  15.695   6.411
   47   HH11  ARG   6          HH11      ARG   6  19.672  18.866   5.126
   48   HH12  ARG   6          HH12      ARG   6  21.299  18.909   5.747
   49   HH21  ARG   6          HH21      ARG   6  21.167  15.799   7.125
   50   HH22  ARG   6          HH22      ARG   6  22.026  17.345   7.066
   51    H    ARG   7           H        ARG   7  15.479  16.846  10.514
   52    HA   ARG   7           HA       ARG   7  14.417  19.453   9.824
   53    HB2  ARG   7           HB2      ARG   7  13.109  17.567  10.780
   54    HB3  ARG   7           HB3      ARG   7  13.939  17.749  12.307
   55    HG2  ARG   7           HG2      ARG   7  11.645  18.692  12.259
   56    HG3  ARG   7           HG3      ARG   7  12.871  19.824  12.793
   57    HD2  ARG   7           HD2      ARG   7  12.183  19.907   9.864
   58    HD3  ARG   7           HD3      ARG   7  10.913  20.391  10.989
   59    HE   ARG   7           HE       ARG   7  13.276  21.713  11.803
   60   HH11  ARG   7          HH11      ARG   7  11.266  21.910   8.901
   61   HH12  ARG   7          HH12      ARG   7  11.624  23.616   8.741
   62   HH21  ARG   7          HH21      ARG   7  13.495  23.803  11.612
   63   HH22  ARG   7          HH22      ARG   7  12.853  24.655  10.197
   64    H    CYS   8           H        CYS   8  16.597  18.369  12.384
   65    HA   CYS   8           HA       CYS   8  16.856  20.909  13.716
   66    HB2  CYS   8           HB2      CYS   8  17.696  18.852  14.737
   67    HB3  CYS   8           HB3      CYS   8  18.873  18.662  13.434
   68    H    GLU   9           H        GLU   9  18.801  19.567  10.943
   69    HA   GLU   9           HA       GLU   9  20.432  21.851  10.562
   70    HB2  GLU   9           HB2      GLU   9  19.374  19.907   8.471
   71    HB3  GLU   9           HB3      GLU   9  20.654  21.066   8.216
   72    HG2  GLU   9           HG2      GLU   9  21.332  19.485  10.547
   73    HG3  GLU   9           HG3      GLU   9  20.825  18.399   9.255
   74    H    LEU  10           H        LEU  10  17.117  21.257   9.294
   75    HA   LEU  10           HA       LEU  10  16.989  23.760   7.826
   76    HB2  LEU  10           HB2      LEU  10  14.726  22.036   8.881
   77    HB3  LEU  10           HB3      LEU  10  14.591  23.316   7.675
   78    HG   LEU  10           HG       LEU  10  16.015  20.662   7.389
   79   HD11  LEU  10          HD11      LEU  10  13.602  21.821   5.947
   80   HD12  LEU  10          HD12      LEU  10  14.316  20.218   5.677
   81   HD13  LEU  10          HD13      LEU  10  13.553  20.588   7.229
   82   HD21  LEU  10          HD21      LEU  10  17.332  22.267   6.120
   83   HD22  LEU  10          HD22      LEU  10  16.387  21.284   5.003
   84   HD23  LEU  10          HD23      LEU  10  15.861  22.934   5.375
   85    H    SER  11           H        SER  11  16.217  22.913  11.180
   86    HA   SER  11           HA       SER  11  15.024  25.487  11.871
   87    HB2  SER  11           HB2      SER  11  16.419  23.468  13.666
   88    HB3  SER  11           HB3      SER  11  15.370  24.791  14.192
   89    HG   SER  11           HG       SER  11  14.458  22.603  13.982
   90    H    CYS  12           H        CYS  12  18.348  24.182  12.069
   91    HA   CYS  12           HA       CYS  12  19.567  26.596  13.052
   92    HB2  CYS  12           HB2      CYS  12  20.684  24.225  11.511
   93    HB3  CYS  12           HB3      CYS  12  21.653  25.445  12.314
   94    H    ARG  13           H        ARG  13  18.727  25.508   9.779
   95    HA   ARG  13           HA       ARG  13  20.235  27.244   8.189
   96    HB2  ARG  13           HB2      ARG  13  18.576  25.367   7.538
   97    HB3  ARG  13           HB3      ARG  13  17.311  26.600   7.626
   98    HG2  ARG  13           HG2      ARG  13  18.491  27.900   5.857
   99    HG3  ARG  13           HG3      ARG  13  19.792  26.695   5.872
  100    HD2  ARG  13           HD2      ARG  13  18.487  26.130   4.004
  101    HD3  ARG  13           HD3      ARG  13  18.095  24.935   5.226
  102    HE   ARG  13           HE       ARG  13  15.898  25.776   5.359
  103   HH11  ARG  13          HH11      ARG  13  17.690  27.737   3.019
  104   HH12  ARG  13          HH12      ARG  13  16.214  28.393   2.397
  105   HH21  ARG  13          HH21      ARG  13  14.174  26.631   4.484
  106   HH22  ARG  13          HH22      ARG  13  14.290  27.831   3.202
  107    H    SER  14           H        SER  14  17.345  28.049  10.078
  108    HA   SER  14           HA       SER  14  16.891  30.652   9.040
  109    HB2  SER  14           HB2      SER  14  16.273  29.506  11.783
  110    HB3  SER  14           HB3      SER  14  15.612  31.018  11.133
  111    HG   SER  14           HG       SER  14  14.355  28.961  10.876
  112    H    LEU  15           H        LEU  15  19.691  29.739  10.887
  113    HA   LEU  15           HA       LEU  15  20.305  32.646  11.118
  114    HB2  LEU  15           HB2      LEU  15  20.987  30.446  13.094
  115    HB3  LEU  15           HB3      LEU  15  21.690  32.065  13.144
  116    HG   LEU  15           HG       LEU  15  18.714  31.492  13.385
  117   HD11  LEU  15          HD11      LEU  15  19.923  30.516  15.272
  118   HD12  LEU  15          HD12      LEU  15  20.813  32.043  15.524
  119   HD13  LEU  15          HD13      LEU  15  19.056  31.975  15.801
  120   HD21  LEU  15          HD21      LEU  15  18.613  33.796  14.310
  121   HD22  LEU  15          HD22      LEU  15  20.345  34.009  13.979
  122   HD23  LEU  15          HD23      LEU  15  19.190  33.808  12.645
  123    H    GLY  16           H        GLY  16  20.756  30.505   9.058
  124    HA2  GLY  16           HA2      GLY  16  22.417  29.936   7.549
  125    HA3  GLY  16           HA3      GLY  16  23.444  31.178   8.272
  126    H    LEU  17           H        LEU  17  22.212  28.586  10.288
  127    HA   LEU  17           HA       LEU  17  24.974  27.567  10.717
  128    HB2  LEU  17           HB2      LEU  17  22.500  27.183  12.391
  129    HB3  LEU  17           HB3      LEU  17  24.116  26.742  12.867
  130    HG   LEU  17           HG       LEU  17  23.051  29.511  12.408
  131   HD11  LEU  17          HD11      LEU  17  23.681  28.263  15.087
  132   HD12  LEU  17          HD12      LEU  17  23.043  29.880  14.779
  133   HD13  LEU  17          HD13      LEU  17  22.039  28.473  14.409
  134   HD21  LEU  17          HD21      LEU  17  25.106  30.272  13.529
  135   HD22  LEU  17          HD22      LEU  17  25.623  28.568  13.716
  136   HD23  LEU  17          HD23      LEU  17  25.522  29.310  12.092
  137    H    LEU  18           H        LEU  18  25.221  25.402  11.190
  138    HA   LEU  18           HA       LEU  18  23.577  23.425   9.651
  139    HB2  LEU  18           HB2      LEU  18  26.488  23.360  10.575
  140    HB3  LEU  18           HB3      LEU  18  25.600  21.989   9.944
  141    HG   LEU  18           HG       LEU  18  25.171  23.431   7.823
  142   HD11  LEU  18          HD11      LEU  18  27.585  24.889   9.005
  143   HD12  LEU  18          HD12      LEU  18  27.070  24.982   7.305
  144   HD13  LEU  18          HD13      LEU  18  26.017  25.609   8.570
  145   HD21  LEU  18          HD21      LEU  18  27.974  22.425   8.469
  146   HD22  LEU  18          HD22      LEU  18  26.611  21.435   7.887
  147   HD23  LEU  18          HD23      LEU  18  27.297  22.679   6.846
  148    H    GLY  19           H        GLY  19  23.187  21.365  10.770
  149    HA2  GLY  19           HA2      GLY  19  22.779  21.775  13.732
  150    HA3  GLY  19           HA3      GLY  19  21.646  20.944  12.679
  151    H    LYS  20           H        LYS  20  23.766  20.372  15.053
  152    HA   LYS  20           HA       LYS  20  24.578  17.637  14.080
  153    HB2  LYS  20           HB2      LYS  20  26.040  19.702  15.747
  154    HB3  LYS  20           HB3      LYS  20  26.315  17.991  16.032
  155    HG2  LYS  20           HG2      LYS  20  28.025  18.741  14.620
  156    HG3  LYS  20           HG3      LYS  20  27.003  17.663  13.684
  157    HD2  LYS  20           HD2      LYS  20  26.079  19.527  12.443
  158    HD3  LYS  20           HD3      LYS  20  26.835  20.711  13.540
  159    HE2  LYS  20           HE2      LYS  20  29.065  19.997  12.839
  160    HE3  LYS  20           HE3      LYS  20  28.393  18.648  11.919
  161    HZ1  LYS  20           HZ1      LYS  20  28.973  20.335  10.431
  162    HZ2  LYS  20           HZ2      LYS  20  27.321  20.333  10.452
  163    HZ3  LYS  20           HZ3      LYS  20  28.238  21.526  11.195
  164    H    CYS  21           H        CYS  21  23.417  16.080  15.015
  165    HA   CYS  21           HA       CYS  21  22.011  16.414  17.567
  166    HB2  CYS  21           HB2      CYS  21  20.979  15.023  15.917
  167    HB3  CYS  21           HB3      CYS  21  22.445  14.062  15.719
  168    H    ILE  22           H        ILE  22  22.965  16.204  19.588
  169    HA   ILE  22           HA       ILE  22  25.730  15.183  19.658
  170    HB   ILE  22           HB       ILE  22  24.084  16.445  21.863
  171   HG12  ILE  22          HG12      ILE  22  24.275  18.071  20.088
  172   HG13  ILE  22          HG13      ILE  22  25.347  18.512  21.400
  173   HG21  ILE  22          HG21      ILE  22  26.364  16.909  22.847
  174   HG22  ILE  22          HG22      ILE  22  25.924  15.202  22.818
  175   HG23  ILE  22          HG23      ILE  22  27.065  15.848  21.618
  176   HD11  ILE  22          HD11      ILE  22  26.408  18.914  19.239
  177   HD12  ILE  22          HD12      ILE  22  27.301  17.657  20.109
  178   HD13  ILE  22          HD13      ILE  22  26.210  17.224  18.768
  179    H    GLY  23           H        GLY  23  22.590  14.155  20.937
  180    HA2  GLY  23           HA2      GLY  23  23.163  11.408  20.798
  181    HA3  GLY  23           HA3      GLY  23  23.547  11.896  22.452
  182    H    GLU  24           H        GLU  24  21.477  13.833  22.766
  183    HA   GLU  24           HA       GLU  24  18.872  12.458  22.327
  184    HB2  GLU  24           HB2      GLU  24  19.768  13.654  24.976
  185    HB3  GLU  24           HB3      GLU  24  18.163  13.021  24.600
  186    HG2  GLU  24           HG2      GLU  24  19.162  10.761  24.224
  187    HG3  GLU  24           HG3      GLU  24  20.740  11.397  24.697
  188    H    GLU  25           H        GLU  25  20.724  15.444  22.498
  189    HA   GLU  25           HA       GLU  25  18.399  16.904  21.348
  190    HB2  GLU  25           HB2      GLU  25  18.524  17.640  23.633
  191    HB3  GLU  25           HB3      GLU  25  20.280  17.781  23.552
  192    HG2  GLU  25           HG2      GLU  25  19.378  19.962  23.594
  193    HG3  GLU  25           HG3      GLU  25  20.065  19.721  22.013
  194    H    CYS  26           H        CYS  26  18.915  18.541  19.873
  195    HA   CYS  26           HA       CYS  26  21.545  18.192  18.523
  196    HB2  CYS  26           HB2      CYS  26  19.502  17.512  17.286
  197    HB3  CYS  26           HB3      CYS  26  18.908  19.167  17.403
  198    H    LYS  27           H        LYS  27  22.767  19.858  17.880
  199    HA   LYS  27           HA       LYS  27  22.305  22.558  19.120
  200    HB2  LYS  27           HB2      LYS  27  24.009  21.110  20.248
  201    HB3  LYS  27           HB3      LYS  27  24.838  20.930  18.708
  202    HG2  LYS  27           HG2      LYS  27  25.101  23.515  18.736
  203    HG3  LYS  27           HG3      LYS  27  24.522  23.446  20.404
  204    HD2  LYS  27           HD2      LYS  27  26.953  23.589  20.270
  205    HD3  LYS  27           HD3      LYS  27  26.490  22.032  20.991
  206    HE2  LYS  27           HE2      LYS  27  26.888  20.895  18.856
  207    HE3  LYS  27           HE3      LYS  27  27.152  22.430  18.041
  208    HZ1  LYS  27           HZ1      LYS  27  29.170  21.224  18.584
  209    HZ2  LYS  27           HZ2      LYS  27  29.211  22.705  19.252
  210    HZ3  LYS  27           HZ3      LYS  27  28.894  21.388  20.200
  211    H    CYS  28           H        CYS  28  22.778  24.370  17.861
  212    HA   CYS  28           HA       CYS  28  23.397  23.906  15.002
  213    HB2  CYS  28           HB2      CYS  28  22.598  26.457  16.403
  214    HB3  CYS  28           HB3      CYS  28  22.841  26.239  14.676
  215    H    VAL  29           H        VAL  29  25.077  25.005  13.910
  216    HA   VAL  29           HA       VAL  29  27.145  26.486  15.403
  217    HB   VAL  29           HB       VAL  29  28.962  25.028  14.474
  218   HG11  VAL  29          HG11      VAL  29  27.209  23.579  16.459
  219   HG12  VAL  29          HG12      VAL  29  28.955  23.377  16.226
  220   HG13  VAL  29          HG13      VAL  29  28.322  24.908  16.862
  221   HG21  VAL  29          HG21      VAL  29  26.762  22.957  14.094
  222   HG22  VAL  29          HG22      VAL  29  27.642  23.767  12.785
  223   HG23  VAL  29          HG23      VAL  29  28.509  22.703  13.891
  224    HA   PRO  30           HA       PRO  30  27.641  28.150  11.214
  225    HB2  PRO  30           HB2      PRO  30  30.081  29.347  11.340
  226    HB3  PRO  30           HB3      PRO  30  28.662  29.988  12.221
  227    HG2  PRO  30           HG2      PRO  30  30.900  28.249  13.298
  228    HG3  PRO  30           HG3      PRO  30  30.204  29.730  14.023
  229    HD2  PRO  30           HD2      PRO  30  29.458  27.185  14.756
  230    HD3  PRO  30           HD3      PRO  30  28.326  28.557  14.823
  231    H    HIS  31           H        HIS  31  29.699  25.846  12.683
  232    HA   HIS  31           HA       HIS  31  31.509  25.266  10.518
  233    HB2  HIS  31           HB2      HIS  31  30.895  23.458  12.863
  234    HB3  HIS  31           HB3      HIS  31  32.380  23.552  11.930
  235    HD2  HIS  31           HD2      HIS  31  31.406  24.222  15.216
  236    HE1  HIS  31           HE1      HIS  31  33.917  27.567  14.446
  237    HE2  HIS  31           HE2      HIS  31  32.882  26.113  16.268
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  11.922  12.520  25.626
    2    H2   ALA   1           H2       ALA   1  13.491  13.054  25.777
    3    H3   ALA   1           H3       ALA   1  13.168  11.513  25.276
    4    HA   ALA   1           HA       ALA   1  12.067  12.329  23.319
    5    HB1  ALA   1           HB1      ALA   1  11.527  14.599  24.206
    6    HB2  ALA   1           HB2      ALA   1  13.256  15.018  24.130
    7    HB3  ALA   1           HB3      ALA   1  12.367  14.664  22.647
    8    H    PHE   2           H        PHE   2  13.241  12.515  21.353
    9    HA   PHE   2           HA       PHE   2  16.125  11.773  21.660
   10    HB2  PHE   2           HB2      PHE   2  14.125  10.863  19.578
   11    HB3  PHE   2           HB3      PHE   2  15.803  10.361  19.689
   12    HD1  PHE   2           HD1      PHE   2  16.565   9.134  21.849
   13    HD2  PHE   2           HD2      PHE   2  12.440   9.625  20.697
   14    HE1  PHE   2           HE1      PHE   2  15.933   7.201  23.279
   15    HE2  PHE   2           HE2      PHE   2  11.815   7.698  22.116
   16    HZ   PHE   2           HZ       PHE   2  13.553   6.490  23.422
   17    H    CYS   3           H        CYS   3  17.552  12.234  19.959
   18    HA   CYS   3           HA       CYS   3  17.539  14.986  19.205
   19    HB2  CYS   3           HB2      CYS   3  19.454  13.444  19.831
   20    HB3  CYS   3           HB3      CYS   3  19.311  12.714  18.237
   21    H    ASN   4           H        ASN   4  17.034  16.028  17.264
   22    HA   ASN   4           HA       ASN   4  16.220  14.419  14.890
   23    HB2  ASN   4           HB2      ASN   4  15.868  17.331  15.740
   24    HB3  ASN   4           HB3      ASN   4  15.628  16.810  14.081
   25   HD21  ASN   4          HD21      ASN   4  12.550  15.148  14.723
   26   HD22  ASN   4          HD22      ASN   4  13.981  15.079  13.684
   27    H    LEU   5           H        LEU   5  17.185  15.024  12.800
   28    HA   LEU   5           HA       LEU   5  19.618  16.691  12.924
   29    HB2  LEU   5           HB2      LEU   5  20.161  14.202  13.209
   30    HB3  LEU   5           HB3      LEU   5  19.713  14.002  11.527
   31    HG   LEU   5           HG       LEU   5  22.093  14.146  11.854
   32   HD11  LEU   5          HD11      LEU   5  21.204  16.661  10.421
   33   HD12  LEU   5          HD12      LEU   5  22.743  15.812  10.234
   34   HD13  LEU   5          HD13      LEU   5  21.251  15.015   9.731
   35   HD21  LEU   5          HD21      LEU   5  21.789  17.022  12.808
   36   HD22  LEU   5          HD22      LEU   5  22.084  15.628  13.875
   37   HD23  LEU   5          HD23      LEU   5  23.280  16.081  12.648
   38    H    ARG   6           H        ARG   6  17.820  14.714  10.493
   39    HA   ARG   6           HA       ARG   6  18.118  16.672   8.386
   40    HB2  ARG   6           HB2      ARG   6  16.461  14.184   8.810
   41    HB3  ARG   6           HB3      ARG   6  15.970  15.285   7.545
   42    HG2  ARG   6           HG2      ARG   6  17.371  13.558   6.606
   43    HG3  ARG   6           HG3      ARG   6  18.106  15.147   6.436
   44    HD2  ARG   6           HD2      ARG   6  19.821  13.592   6.913
   45    HD3  ARG   6           HD3      ARG   6  19.646  14.650   8.311
   46    HE   ARG   6           HE       ARG   6  18.150  12.611   9.174
   47   HH11  ARG   6          HH11      ARG   6  21.362  12.414   7.685
   48   HH12  ARG   6          HH12      ARG   6  21.644  10.863   8.450
   49   HH21  ARG   6          HH21      ARG   6  18.598  10.537   9.876
   50   HH22  ARG   6          HH22      ARG   6  20.274  10.011   9.798
   51    H    ARG   7           H        ARG   7  15.750  16.536  10.965
   52    HA   ARG   7           HA       ARG   7  14.206  18.812   9.858
   53    HB2  ARG   7           HB2      ARG   7  13.160  16.881  11.094
   54    HB3  ARG   7           HB3      ARG   7  14.036  17.366  12.536
   55    HG2  ARG   7           HG2      ARG   7  11.716  18.045  12.622
   56    HG3  ARG   7           HG3      ARG   7  12.767  19.451  12.678
   57    HD2  ARG   7           HD2      ARG   7  11.847  18.638   9.940
   58    HD3  ARG   7           HD3      ARG   7  10.566  19.143  11.049
   59    HE   ARG   7           HE       ARG   7  12.581  21.083  11.287
   60   HH11  ARG   7          HH11      ARG   7  10.411  20.098   8.644
   61   HH12  ARG   7          HH12      ARG   7  10.015  21.798   8.357
   62   HH21  ARG   7          HH21      ARG   7  12.023  23.057  10.749
   63   HH22  ARG   7          HH22      ARG   7  10.956  23.360   9.356
   64    H    CYS   8           H        CYS   8  16.551  18.158  12.435
   65    HA   CYS   8           HA       CYS   8  16.485  20.689  13.744
   66    HB2  CYS   8           HB2      CYS   8  17.541  18.715  14.780
   67    HB3  CYS   8           HB3      CYS   8  18.706  18.635  13.451
   68    H    GLU   9           H        GLU   9  18.531  19.595  10.999
   69    HA   GLU   9           HA       GLU   9  20.156  21.857  10.627
   70    HB2  GLU   9           HB2      GLU   9  18.906  19.909   8.646
   71    HB3  GLU   9           HB3      GLU   9  20.109  21.101   8.186
   72    HG2  GLU   9           HG2      GLU   9  21.136  19.605  10.451
   73    HG3  GLU   9           HG3      GLU   9  20.532  18.491   9.222
   74    H    LEU  10           H        LEU  10  16.735  21.502   9.703
   75    HA   LEU  10           HA       LEU  10  16.793  23.624   7.717
   76    HB2  LEU  10           HB2      LEU  10  14.448  22.338   9.177
   77    HB3  LEU  10           HB3      LEU  10  14.331  23.367   7.756
   78    HG   LEU  10           HG       LEU  10  15.718  20.650   7.871
   79   HD11  LEU  10          HD11      LEU  10  13.306  20.426   8.028
   80   HD12  LEU  10          HD12      LEU  10  13.065  21.533   6.656
   81   HD13  LEU  10          HD13      LEU  10  13.820  19.948   6.410
   82   HD21  LEU  10          HD21      LEU  10  15.800  20.834   5.397
   83   HD22  LEU  10          HD22      LEU  10  15.152  22.483   5.503
   84   HD23  LEU  10          HD23      LEU  10  16.766  22.103   6.153
   85    H    SER  11           H        SER  11  15.839  23.507  11.148
   86    HA   SER  11           HA       SER  11  15.172  26.355  11.230
   87    HB2  SER  11           HB2      SER  11  14.129  24.738  12.703
   88    HB3  SER  11           HB3      SER  11  15.673  24.372  13.475
   89    HG   SER  11           HG       SER  11  15.603  26.269  14.498
   90    H    CYS  12           H        CYS  12  18.151  24.445  11.861
   91    HA   CYS  12           HA       CYS  12  19.696  26.629  12.849
   92    HB2  CYS  12           HB2      CYS  12  20.534  24.201  11.209
   93    HB3  CYS  12           HB3      CYS  12  21.644  25.297  11.994
   94    H    ARG  13           H        ARG  13  19.001  25.691   9.462
   95    HA   ARG  13           HA       ARG  13  20.722  27.573   8.191
   96    HB2  ARG  13           HB2      ARG  13  19.716  25.802   6.976
   97    HB3  ARG  13           HB3      ARG  13  18.080  26.340   7.343
   98    HG2  ARG  13           HG2      ARG  13  18.271  28.253   5.882
   99    HG3  ARG  13           HG3      ARG  13  20.031  28.056   5.769
  100    HD2  ARG  13           HD2      ARG  13  19.086  27.262   3.716
  101    HD3  ARG  13           HD3      ARG  13  19.724  25.894   4.645
  102    HE   ARG  13           HE       ARG  13  16.833  26.405   4.965
  103   HH11  ARG  13          HH11      ARG  13  19.306  24.570   3.250
  104   HH12  ARG  13          HH12      ARG  13  18.174  23.287   2.841
  105   HH21  ARG  13          HH21      ARG  13  15.419  24.831   4.133
  106   HH22  ARG  13          HH22      ARG  13  16.082  23.388   3.406
  107    H    SER  14           H        SER  14  17.577  28.161   9.736
  108    HA   SER  14           HA       SER  14  17.158  30.781   8.637
  109    HB2  SER  14           HB2      SER  14  16.163  29.623  11.262
  110    HB3  SER  14           HB3      SER  14  15.535  31.058  10.442
  111    HG   SER  14           HG       SER  14  14.366  29.074  10.040
  112    H    LEU  15           H        LEU  15  19.467  29.735  11.013
  113    HA   LEU  15           HA       LEU  15  20.120  32.584  11.634
  114    HB2  LEU  15           HB2      LEU  15  20.669  30.055  13.216
  115    HB3  LEU  15           HB3      LEU  15  21.249  31.662  13.657
  116    HG   LEU  15           HG       LEU  15  18.318  30.834  13.499
  117   HD11  LEU  15          HD11      LEU  15  19.542  29.718  15.336
  118   HD12  LEU  15          HD12      LEU  15  20.125  31.297  15.916
  119   HD13  LEU  15          HD13      LEU  15  18.391  30.903  15.952
  120   HD21  LEU  15          HD21      LEU  15  17.918  32.946  14.747
  121   HD22  LEU  15          HD22      LEU  15  19.630  33.379  14.554
  122   HD23  LEU  15          HD23      LEU  15  18.565  33.250  13.130
  123    H    GLY  16           H        GLY  16  20.905  30.362   9.461
  124    HA2  GLY  16           HA2      GLY  16  22.680  30.177   8.021
  125    HA3  GLY  16           HA3      GLY  16  23.521  31.444   8.917
  126    H    LEU  17           H        LEU  17  22.423  28.286  10.186
  127    HA   LEU  17           HA       LEU  17  25.253  27.589  10.877
  128    HB2  LEU  17           HB2      LEU  17  22.781  26.862  12.434
  129    HB3  LEU  17           HB3      LEU  17  24.426  26.793  12.992
  130    HG   LEU  17           HG       LEU  17  22.871  29.314  12.405
  131   HD11  LEU  17          HD11      LEU  17  23.471  28.190  15.144
  132   HD12  LEU  17          HD12      LEU  17  22.686  29.726  14.778
  133   HD13  LEU  17          HD13      LEU  17  21.869  28.227  14.344
  134   HD21  LEU  17          HD21      LEU  17  24.665  30.440  13.644
  135   HD22  LEU  17          HD22      LEU  17  25.420  28.850  13.962
  136   HD23  LEU  17          HD23      LEU  17  25.366  29.521  12.300
  137    H    LEU  18           H        LEU  18  25.626  25.345  11.338
  138    HA   LEU  18           HA       LEU  18  24.139  23.376   9.619
  139    HB2  LEU  18           HB2      LEU  18  26.747  23.228  11.190
  140    HB3  LEU  18           HB3      LEU  18  25.955  21.790  10.556
  141    HG   LEU  18           HG       LEU  18  26.845  24.095   8.820
  142   HD11  LEU  18          HD11      LEU  18  28.779  23.037   9.908
  143   HD12  LEU  18          HD12      LEU  18  28.204  21.428   9.401
  144   HD13  LEU  18          HD13      LEU  18  28.734  22.610   8.193
  145   HD21  LEU  18          HD21      LEU  18  26.669  22.459   6.976
  146   HD22  LEU  18          HD22      LEU  18  26.014  21.257   8.106
  147   HD23  LEU  18          HD23      LEU  18  25.108  22.742   7.743
  148    H    GLY  19           H        GLY  19  23.283  21.478  10.615
  149    HA2  GLY  19           HA2      GLY  19  22.620  21.735  13.541
  150    HA3  GLY  19           HA3      GLY  19  21.660  20.836  12.371
  151    H    LYS  20           H        LYS  20  23.593  20.366  14.890
  152    HA   LYS  20           HA       LYS  20  24.647  17.715  13.973
  153    HB2  LYS  20           HB2      LYS  20  26.186  19.947  15.336
  154    HB3  LYS  20           HB3      LYS  20  26.722  18.258  15.315
  155    HG2  LYS  20           HG2      LYS  20  26.773  18.240  12.874
  156    HG3  LYS  20           HG3      LYS  20  26.155  19.905  12.795
  157    HD2  LYS  20           HD2      LYS  20  28.090  20.771  13.878
  158    HD3  LYS  20           HD3      LYS  20  28.744  19.132  14.166
  159    HE2  LYS  20           HE2      LYS  20  28.720  18.750  11.700
  160    HE3  LYS  20           HE3      LYS  20  28.204  20.418  11.434
  161    HZ1  LYS  20           HZ1      LYS  20  30.733  19.665  12.791
  162    HZ2  LYS  20           HZ2      LYS  20  30.619  20.053  11.196
  163    HZ3  LYS  20           HZ3      LYS  20  30.300  21.178  12.337
  164    H    CYS  21           H        CYS  21  24.442  16.103  15.433
  165    HA   CYS  21           HA       CYS  21  22.726  16.621  17.720
  166    HB2  CYS  21           HB2      CYS  21  22.530  14.660  16.163
  167    HB3  CYS  21           HB3      CYS  21  23.991  14.005  16.910
  168    H    ILE  22           H        ILE  22  23.101  16.194  19.897
  169    HA   ILE  22           HA       ILE  22  25.915  16.134  20.906
  170    HB   ILE  22           HB       ILE  22  23.304  16.649  22.382
  171   HG12  ILE  22          HG12      ILE  22  25.414  18.658  21.453
  172   HG13  ILE  22          HG13      ILE  22  23.793  18.484  20.778
  173   HG21  ILE  22          HG21      ILE  22  26.182  17.051  23.290
  174   HG22  ILE  22          HG22      ILE  22  24.718  17.327  24.258
  175   HG23  ILE  22          HG23      ILE  22  25.142  15.698  23.788
  176   HD11  ILE  22          HD11      ILE  22  22.830  19.039  23.039
  177   HD12  ILE  22          HD12      ILE  22  24.479  19.460  23.568
  178   HD13  ILE  22          HD13      ILE  22  23.719  20.352  22.253
  179    H    GLY  23           H        GLY  23  22.791  14.506  21.144
  180    HA2  GLY  23           HA2      GLY  23  23.595  11.859  21.049
  181    HA3  GLY  23           HA3      GLY  23  23.630  12.265  22.775
  182    H    GLU  24           H        GLU  24  21.605  13.718  23.363
  183    HA   GLU  24           HA       GLU  24  19.112  12.688  22.058
  184    HB2  GLU  24           HB2      GLU  24  18.024  12.352  24.137
  185    HB3  GLU  24           HB3      GLU  24  19.541  11.458  24.093
  186    HG2  GLU  24           HG2      GLU  24  20.518  13.536  25.375
  187    HG3  GLU  24           HG3      GLU  24  18.834  13.913  25.725
  188    H    GLU  25           H        GLU  25  20.837  15.280  22.216
  189    HA   GLU  25           HA       GLU  25  18.554  17.060  21.671
  190    HB2  GLU  25           HB2      GLU  25  20.852  17.600  23.576
  191    HB3  GLU  25           HB3      GLU  25  20.218  18.917  22.602
  192    HG2  GLU  25           HG2      GLU  25  18.639  17.227  24.545
  193    HG3  GLU  25           HG3      GLU  25  19.153  18.900  24.797
  194    H    CYS  26           H        CYS  26  18.975  18.601  20.073
  195    HA   CYS  26           HA       CYS  26  21.470  18.149  18.487
  196    HB2  CYS  26           HB2      CYS  26  19.354  17.567  17.320
  197    HB3  CYS  26           HB3      CYS  26  18.816  19.234  17.527
  198    H    LYS  27           H        LYS  27  22.647  19.916  17.765
  199    HA   LYS  27           HA       LYS  27  22.033  22.594  18.930
  200    HB2  LYS  27           HB2      LYS  27  23.623  21.628  20.405
  201    HB3  LYS  27           HB3      LYS  27  24.618  21.008  19.086
  202    HG2  LYS  27           HG2      LYS  27  25.313  23.229  18.449
  203    HG3  LYS  27           HG3      LYS  27  24.196  23.987  19.581
  204    HD2  LYS  27           HD2      LYS  27  26.583  22.231  20.312
  205    HD3  LYS  27           HD3      LYS  27  26.575  23.992  20.323
  206    HE2  LYS  27           HE2      LYS  27  24.926  22.180  22.145
  207    HE3  LYS  27           HE3      LYS  27  26.361  23.107  22.589
  208    HZ1  LYS  27           HZ1      LYS  27  25.022  25.137  21.906
  209    HZ2  LYS  27           HZ2      LYS  27  23.702  24.160  21.863
  210    HZ3  LYS  27           HZ3      LYS  27  24.514  24.377  23.267
  211    H    CYS  28           H        CYS  28  22.413  24.307  17.664
  212    HA   CYS  28           HA       CYS  28  23.326  23.844  14.907
  213    HB2  CYS  28           HB2      CYS  28  22.344  26.360  16.248
  214    HB3  CYS  28           HB3      CYS  28  22.726  26.172  14.541
  215    H    VAL  29           H        VAL  29  25.163  24.915  13.972
  216    HA   VAL  29           HA       VAL  29  26.955  26.379  15.819
  217    HB   VAL  29           HB       VAL  29  28.942  25.157  15.253
  218   HG11  VAL  29          HG11      VAL  29  26.871  23.257  16.408
  219   HG12  VAL  29          HG12      VAL  29  28.628  23.230  16.656
  220   HG13  VAL  29          HG13      VAL  29  27.672  24.571  17.303
  221   HG21  VAL  29          HG21      VAL  29  28.365  24.149  13.087
  222   HG22  VAL  29          HG22      VAL  29  28.887  22.926  14.238
  223   HG23  VAL  29          HG23      VAL  29  27.151  23.115  13.876
  224    HA   PRO  30           HA       PRO  30  27.743  28.673  12.093
  225    HB2  PRO  30           HB2      PRO  30  29.380  30.602  13.009
  226    HB3  PRO  30           HB3      PRO  30  27.721  30.372  13.628
  227    HG2  PRO  30           HG2      PRO  30  30.293  29.343  14.871
  228    HG3  PRO  30           HG3      PRO  30  28.991  30.295  15.657
  229    HD2  PRO  30           HD2      PRO  30  29.161  27.532  15.727
  230    HD3  PRO  30           HD3      PRO  30  27.615  28.426  15.814
  231    H    HIS  31           H        HIS  31  28.746  26.428  11.699
  232    HA   HIS  31           HA       HIS  31  30.199  25.155  10.505
  233    HB2  HIS  31           HB2      HIS  31  31.048  27.849   9.426
  234    HB3  HIS  31           HB3      HIS  31  31.197  26.293   8.613
  235    HD2  HIS  31           HD2      HIS  31  28.732  29.082   9.364
  236    HE1  HIS  31           HE1      HIS  31  26.430  26.041   7.479
  237    HE2  HIS  31           HE2      HIS  31  26.382  28.433   8.362
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1  16.736  20.618  22.823
    2    H2   ALA   1           H2       ALA   1  15.238  20.049  23.213
    3    H3   ALA   1           H3       ALA   1  15.417  21.612  22.739
    4    HA   ALA   1           HA       ALA   1  14.464  20.416  20.973
    5    HB1  ALA   1           HB1      ALA   1  16.124  20.859  19.193
    6    HB2  ALA   1           HB2      ALA   1  15.992  22.213  20.326
    7    HB3  ALA   1           HB3      ALA   1  17.381  21.107  20.426
    8    H    PHE   2           H        PHE   2  14.012  18.430  20.252
    9    HA   PHE   2           HA       PHE   2  15.216  16.052  21.005
   10    HB2  PHE   2           HB2      PHE   2  13.775  16.648  18.390
   11    HB3  PHE   2           HB3      PHE   2  14.028  15.051  19.073
   12    HD1  PHE   2           HD1      PHE   2  11.862  17.953  19.045
   13    HD2  PHE   2           HD2      PHE   2  12.964  14.448  21.307
   14    HE1  PHE   2           HE1      PHE   2   9.697  18.044  20.249
   15    HE2  PHE   2           HE2      PHE   2  10.789  14.545  22.496
   16    HZ   PHE   2           HZ       PHE   2   9.144  16.325  21.954
   17    H    CYS   3           H        CYS   3  16.340  14.389  19.781
   18    HA   CYS   3           HA       CYS   3  18.793  15.346  18.570
   19    HB2  CYS   3           HB2      CYS   3  18.544  13.440  20.177
   20    HB3  CYS   3           HB3      CYS   3  17.760  12.530  18.897
   21    H    ASN   4           H        ASN   4  16.922  16.315  16.879
   22    HA   ASN   4           HA       ASN   4  16.657  14.667  14.465
   23    HB2  ASN   4           HB2      ASN   4  16.289  17.640  15.069
   24    HB3  ASN   4           HB3      ASN   4  16.103  16.941  13.459
   25   HD21  ASN   4          HD21      ASN   4  12.983  15.327  14.419
   26   HD22  ASN   4          HD22      ASN   4  14.489  14.864  13.599
   27    H    LEU   5           H        LEU   5  17.803  15.190  12.527
   28    HA   LEU   5           HA       LEU   5  20.350  16.718  12.803
   29    HB2  LEU   5           HB2      LEU   5  20.869  14.363  12.965
   30    HB3  LEU   5           HB3      LEU   5  20.006  13.996  11.490
   31    HG   LEU   5           HG       LEU   5  22.497  14.030  11.350
   32   HD11  LEU   5          HD11      LEU   5  22.685  14.869   9.207
   33   HD12  LEU   5          HD12      LEU   5  20.979  14.405   9.329
   34   HD13  LEU   5          HD13      LEU   5  21.462  16.116   9.443
   35   HD21  LEU   5          HD21      LEU   5  22.864  16.045  12.790
   36   HD22  LEU   5          HD22      LEU   5  23.756  16.058  11.252
   37   HD23  LEU   5          HD23      LEU   5  22.290  17.039  11.433
   38    H    ARG   6           H        ARG   6  18.704  15.073  10.049
   39    HA   ARG   6           HA       ARG   6  19.170  17.337   8.353
   40    HB2  ARG   6           HB2      ARG   6  17.788  16.204   6.698
   41    HB3  ARG   6           HB3      ARG   6  19.015  15.150   7.402
   42    HG2  ARG   6           HG2      ARG   6  17.331  14.044   8.811
   43    HG3  ARG   6           HG3      ARG   6  16.063  15.103   8.184
   44    HD2  ARG   6           HD2      ARG   6  17.756  13.220   6.496
   45    HD3  ARG   6           HD3      ARG   6  16.145  12.837   7.116
   46    HE   ARG   6           HE       ARG   6  15.700  15.200   5.809
   47   HH11  ARG   6          HH11      ARG   6  16.988  12.114   4.671
   48   HH12  ARG   6          HH12      ARG   6  16.665  12.570   2.995
   49   HH21  ARG   6          HH21      ARG   6  15.313  15.607   3.741
   50   HH22  ARG   6          HH22      ARG   6  15.658  14.429   2.499
   51    H    ARG   7           H        ARG   7  16.303  16.527  10.325
   52    HA   ARG   7           HA       ARG   7  14.807  18.864   9.365
   53    HB2  ARG   7           HB2      ARG   7  14.367  17.056  11.775
   54    HB3  ARG   7           HB3      ARG   7  13.283  18.347  11.268
   55    HG2  ARG   7           HG2      ARG   7  12.959  17.225   9.078
   56    HG3  ARG   7           HG3      ARG   7  14.034  15.924   9.561
   57    HD2  ARG   7           HD2      ARG   7  11.818  15.138   9.806
   58    HD3  ARG   7           HD3      ARG   7  12.479  15.355  11.436
   59    HE   ARG   7           HE       ARG   7  11.114  17.742  10.742
   60   HH11  ARG   7          HH11      ARG   7  10.113  14.379  11.039
   61   HH12  ARG   7          HH12      ARG   7   8.496  14.843  11.541
   62   HH21  ARG   7          HH21      ARG   7   9.146  18.185  11.726
   63   HH22  ARG   7          HH22      ARG   7   7.926  16.944  11.799
   64    H    CYS   8           H        CYS   8  17.045  18.258  12.047
   65    HA   CYS   8           HA       CYS   8  16.562  20.706  13.485
   66    HB2  CYS   8           HB2      CYS   8  17.842  18.788  14.431
   67    HB3  CYS   8           HB3      CYS   8  19.117  19.063  13.247
   68    H    GLU   9           H        GLU   9  18.878  19.919  10.846
   69    HA   GLU   9           HA       GLU   9  20.140  22.402  10.529
   70    HB2  GLU   9           HB2      GLU   9  19.301  20.277   8.561
   71    HB3  GLU   9           HB3      GLU   9  20.262  21.681   8.064
   72    HG2  GLU   9           HG2      GLU   9  22.086  21.053   9.486
   73    HG3  GLU   9           HG3      GLU   9  21.151  19.783  10.266
   74    H    LEU  10           H        LEU  10  16.840  21.548   9.468
   75    HA   LEU  10           HA       LEU  10  16.457  23.869   7.785
   76    HB2  LEU  10           HB2      LEU  10  14.335  22.213   9.191
   77    HB3  LEU  10           HB3      LEU  10  14.105  23.259   7.801
   78    HG   LEU  10           HG       LEU  10  15.729  20.690   7.834
   79   HD11  LEU  10          HD11      LEU  10  13.919  19.781   6.452
   80   HD12  LEU  10          HD12      LEU  10  13.320  20.302   8.036
   81   HD13  LEU  10          HD13      LEU  10  13.023  21.308   6.608
   82   HD21  LEU  10          HD21      LEU  10  15.776  20.931   5.368
   83   HD22  LEU  10          HD22      LEU  10  15.013  22.530   5.517
   84   HD23  LEU  10          HD23      LEU  10  16.642  22.244   6.173
   85    H    SER  11           H        SER  11  16.041  23.323  11.261
   86    HA   SER  11           HA       SER  11  14.812  25.952  11.758
   87    HB2  SER  11           HB2      SER  11  16.156  23.948  13.621
   88    HB3  SER  11           HB3      SER  11  15.362  25.442  14.142
   89    HG   SER  11           HG       SER  11  13.467  24.598  13.817
   90    H    CYS  12           H        CYS  12  18.081  24.504  11.960
   91    HA   CYS  12           HA       CYS  12  19.449  26.823  12.886
   92    HB2  CYS  12           HB2      CYS  12  20.411  24.441  11.269
   93    HB3  CYS  12           HB3      CYS  12  21.447  25.572  12.105
   94    H    ARG  13           H        ARG  13  18.452  25.951   9.634
   95    HA   ARG  13           HA       ARG  13  19.877  27.644   7.963
   96    HB2  ARG  13           HB2      ARG  13  17.986  25.958   7.459
   97    HB3  ARG  13           HB3      ARG  13  16.867  27.230   7.917
   98    HG2  ARG  13           HG2      ARG  13  16.837  27.428   5.646
   99    HG3  ARG  13           HG3      ARG  13  18.057  28.633   6.030
  100    HD2  ARG  13           HD2      ARG  13  18.510  25.771   5.070
  101    HD3  ARG  13           HD3      ARG  13  18.648  27.212   4.075
  102    HE   ARG  13           HE       ARG  13  20.604  26.106   5.905
  103   HH11  ARG  13          HH11      ARG  13  19.682  29.176   4.451
  104   HH12  ARG  13          HH12      ARG  13  21.306  29.818   4.586
  105   HH21  ARG  13          HH21      ARG  13  22.640  26.817   5.662
  106   HH22  ARG  13          HH22      ARG  13  22.970  28.462   5.200
  107    H    SER  14           H        SER  14  17.487  28.619  10.341
  108    HA   SER  14           HA       SER  14  16.799  31.233   9.591
  109    HB2  SER  14           HB2      SER  14  15.867  29.981  11.502
  110    HB3  SER  14           HB3      SER  14  17.415  30.100  12.349
  111    HG   SER  14           HG       SER  14  15.396  31.981  12.016
  112    H    LEU  15           H        LEU  15  19.902  30.153  11.031
  113    HA   LEU  15           HA       LEU  15  20.969  32.942  10.804
  114    HB2  LEU  15           HB2      LEU  15  21.506  30.830  12.908
  115    HB3  LEU  15           HB3      LEU  15  22.374  32.364  12.798
  116    HG   LEU  15           HG       LEU  15  19.358  32.174  13.188
  117   HD11  LEU  15          HD11      LEU  15  21.532  32.537  15.278
  118   HD12  LEU  15          HD12      LEU  15  19.780  32.652  15.560
  119   HD13  LEU  15          HD13      LEU  15  20.501  31.106  15.078
  120   HD21  LEU  15          HD21      LEU  15  20.154  34.359  12.310
  121   HD22  LEU  15          HD22      LEU  15  19.586  34.504  13.979
  122   HD23  LEU  15          HD23      LEU  15  21.323  34.463  13.634
  123    H    GLY  16           H        GLY  16  21.000  30.598   8.906
  124    HA2  GLY  16           HA2      GLY  16  22.451  29.774   7.318
  125    HA3  GLY  16           HA3      GLY  16  23.656  30.941   7.872
  126    H    LEU  17           H        LEU  17  22.313  28.506  10.052
  127    HA   LEU  17           HA       LEU  17  25.024  27.311  10.393
  128    HB2  LEU  17           HB2      LEU  17  22.605  27.099  12.173
  129    HB3  LEU  17           HB3      LEU  17  24.226  26.640  12.605
  130    HG   LEU  17           HG       LEU  17  23.244  29.444  12.101
  131   HD11  LEU  17          HD11      LEU  17  23.198  29.822  14.484
  132   HD12  LEU  17          HD12      LEU  17  22.118  28.485  14.083
  133   HD13  LEU  17          HD13      LEU  17  23.723  28.166  14.804
  134   HD21  LEU  17          HD21      LEU  17  25.688  29.164  11.873
  135   HD22  LEU  17          HD22      LEU  17  25.323  30.077  13.347
  136   HD23  LEU  17          HD23      LEU  17  25.720  28.340  13.464
  137    H    LEU  18           H        LEU  18  25.126  25.116  10.949
  138    HA   LEU  18           HA       LEU  18  23.103  23.273   9.722
  139    HB2  LEU  18           HB2      LEU  18  26.022  22.835  10.462
  140    HB3  LEU  18           HB3      LEU  18  24.922  21.517  10.089
  141    HG   LEU  18           HG       LEU  18  25.648  23.735   8.145
  142   HD11  LEU  18          HD11      LEU  18  26.547  20.825   8.293
  143   HD12  LEU  18          HD12      LEU  18  26.966  21.985   7.016
  144   HD13  LEU  18          HD13      LEU  18  27.551  22.243   8.665
  145   HD21  LEU  18          HD21      LEU  18  24.635  22.227   6.449
  146   HD22  LEU  18          HD22      LEU  18  24.099  21.136   7.741
  147   HD23  LEU  18          HD23      LEU  18  23.438  22.790   7.610
  148    H    GLY  19           H        GLY  19  23.103  21.165  11.214
  149    HA2  GLY  19           HA2      GLY  19  22.866  21.926  14.077
  150    HA3  GLY  19           HA3      GLY  19  21.476  21.209  13.254
  151    H    LYS  20           H        LYS  20  23.529  20.299  15.415
  152    HA   LYS  20           HA       LYS  20  24.043  17.566  14.287
  153    HB2  LYS  20           HB2      LYS  20  26.045  19.258  15.817
  154    HB3  LYS  20           HB3      LYS  20  26.280  17.601  15.241
  155    HG2  LYS  20           HG2      LYS  20  26.017  18.402  12.877
  156    HG3  LYS  20           HG3      LYS  20  25.847  20.068  13.478
  157    HD2  LYS  20           HD2      LYS  20  28.066  19.849  14.570
  158    HD3  LYS  20           HD3      LYS  20  28.268  18.290  13.733
  159    HE2  LYS  20           HE2      LYS  20  27.982  19.448  11.541
  160    HE3  LYS  20           HE3      LYS  20  27.771  20.992  12.379
  161    HZ1  LYS  20           HZ1      LYS  20  30.022  20.763  11.592
  162    HZ2  LYS  20           HZ2      LYS  20  30.055  20.728  13.254
  163    HZ3  LYS  20           HZ3      LYS  20  30.238  19.350  12.417
  164    H    CYS  21           H        CYS  21  23.716  15.887  15.727
  165    HA   CYS  21           HA       CYS  21  22.517  16.638  18.315
  166    HB2  CYS  21           HB2      CYS  21  21.362  15.001  16.914
  167    HB3  CYS  21           HB3      CYS  21  22.743  13.903  17.076
  168    H    ILE  22           H        ILE  22  23.279  16.143  20.314
  169    HA   ILE  22           HA       ILE  22  25.741  14.558  20.674
  170    HB   ILE  22           HB       ILE  22  25.460  17.309  21.957
  171   HG12  ILE  22          HG12      ILE  22  27.404  16.537  19.727
  172   HG13  ILE  22          HG13      ILE  22  25.991  17.573  19.541
  173   HG21  ILE  22          HG21      ILE  22  27.728  16.866  22.818
  174   HG22  ILE  22          HG22      ILE  22  26.653  15.579  23.310
  175   HG23  ILE  22          HG23      ILE  22  27.778  15.310  21.964
  176   HD11  ILE  22          HD11      ILE  22  28.454  18.227  21.160
  177   HD12  ILE  22          HD12      ILE  22  27.847  19.019  19.700
  178   HD13  ILE  22          HD13      ILE  22  26.943  19.171  21.223
  179    H    GLY  23           H        GLY  23  25.091  13.013  22.119
  180    HA2  GLY  23           HA2      GLY  23  24.139  12.058  23.990
  181    HA3  GLY  23           HA3      GLY  23  24.241  13.652  24.736
  182    H    GLU  24           H        GLU  24  22.233  12.506  21.987
  183    HA   GLU  24           HA       GLU  24  20.024  12.420  21.615
  184    HB2  GLU  24           HB2      GLU  24  19.475  12.351  24.581
  185    HB3  GLU  24           HB3      GLU  24  18.458  11.764  23.276
  186    HG2  GLU  24           HG2      GLU  24  21.117  10.573  24.171
  187    HG3  GLU  24           HG3      GLU  24  19.516   9.915  24.456
  188    H    GLU  25           H        GLU  25  21.245  15.136  21.881
  189    HA   GLU  25           HA       GLU  25  18.656  16.444  21.443
  190    HB2  GLU  25           HB2      GLU  25  18.995  18.352  22.801
  191    HB3  GLU  25           HB3      GLU  25  19.171  16.943  23.843
  192    HG2  GLU  25           HG2      GLU  25  21.656  17.200  23.655
  193    HG3  GLU  25           HG3      GLU  25  21.418  18.642  22.660
  194    H    CYS  26           H        CYS  26  18.755  18.191  19.955
  195    HA   CYS  26           HA       CYS  26  21.290  18.332  18.422
  196    HB2  CYS  26           HB2      CYS  26  19.117  17.908  17.250
  197    HB3  CYS  26           HB3      CYS  26  18.655  19.566  17.655
  198    H    LYS  27           H        LYS  27  22.314  20.236  17.830
  199    HA   LYS  27           HA       LYS  27  21.504  22.838  18.956
  200    HB2  LYS  27           HB2      LYS  27  22.926  21.782  20.680
  201    HB3  LYS  27           HB3      LYS  27  24.228  21.565  19.501
  202    HG2  LYS  27           HG2      LYS  27  24.498  23.980  19.275
  203    HG3  LYS  27           HG3      LYS  27  23.087  24.283  20.285
  204    HD2  LYS  27           HD2      LYS  27  25.688  22.969  21.198
  205    HD3  LYS  27           HD3      LYS  27  25.189  24.639  21.494
  206    HE2  LYS  27           HE2      LYS  27  23.091  23.647  22.635
  207    HE3  LYS  27           HE3      LYS  27  23.935  22.093  22.599
  208    HZ1  LYS  27           HZ1      LYS  27  24.938  24.561  23.906
  209    HZ2  LYS  27           HZ2      LYS  27  24.296  23.251  24.687
  210    HZ3  LYS  27           HZ3      LYS  27  25.733  23.144  23.878
  211    H    CYS  28           H        CYS  28  22.187  24.586  17.674
  212    HA   CYS  28           HA       CYS  28  23.135  23.856  15.015
  213    HB2  CYS  28           HB2      CYS  28  22.433  26.567  16.119
  214    HB3  CYS  28           HB3      CYS  28  22.737  26.188  14.430
  215    H    VAL  29           H        VAL  29  24.855  24.853  13.865
  216    HA   VAL  29           HA       VAL  29  27.009  26.225  15.293
  217    HB   VAL  29           HB       VAL  29  28.644  24.415  14.302
  218   HG11  VAL  29          HG11      VAL  29  28.580  25.141  16.641
  219   HG12  VAL  29          HG12      VAL  29  27.301  23.951  16.973
  220   HG13  VAL  29          HG13      VAL  29  28.910  23.412  16.471
  221   HG21  VAL  29          HG21      VAL  29  27.958  22.141  14.537
  222   HG22  VAL  29          HG22      VAL  29  26.362  22.587  15.169
  223   HG23  VAL  29          HG23      VAL  29  26.761  22.905  13.472
  224    HA   PRO  30           HA       PRO  30  27.301  27.881  11.275
  225    HB2  PRO  30           HB2      PRO  30  29.502  29.459  11.437
  226    HB3  PRO  30           HB3      PRO  30  28.091  29.715  12.509
  227    HG2  PRO  30           HG2      PRO  30  30.652  28.214  13.139
  228    HG3  PRO  30           HG3      PRO  30  29.838  29.473  14.120
  229    HD2  PRO  30           HD2      PRO  30  29.491  26.777  14.546
  230    HD3  PRO  30           HD3      PRO  30  28.200  27.960  14.855
  231    H    HIS  31           H        HIS  31  29.890  25.854  12.242
  232    HA   HIS  31           HA       HIS  31  31.804  26.119  10.246
  233    HB2  HIS  31           HB2      HIS  31  31.116  23.467  11.556
  234    HB3  HIS  31           HB3      HIS  31  32.682  24.018  10.996
  235    HD2  HIS  31           HD2      HIS  31  30.837  23.519  14.068
  236    HE1  HIS  31           HE1      HIS  31  33.491  26.687  15.077
  237    HE2  HIS  31           HE2      HIS  31  31.899  24.954  16.015
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  15.444  19.694  23.653
    2    H2   ALA   1           H2       ALA   1  14.082  18.815  23.933
    3    H3   ALA   1           H3       ALA   1  13.966  20.435  23.752
    4    HA   ALA   1           HA       ALA   1  13.214  19.326  21.792
    5    HB1  ALA   1           HB1      ALA   1  14.569  20.512  20.158
    6    HB2  ALA   1           HB2      ALA   1  14.400  21.533  21.604
    7    HB3  ALA   1           HB3      ALA   1  15.906  20.650  21.322
    8    H    PHE   2           H        PHE   2  13.646  17.863  20.025
    9    HA   PHE   2           HA       PHE   2  14.917  15.500  21.025
   10    HB2  PHE   2           HB2      PHE   2  14.033  15.770  18.167
   11    HB3  PHE   2           HB3      PHE   2  13.950  14.373  19.223
   12    HD1  PHE   2           HD1      PHE   2  12.484  15.453  21.612
   13    HD2  PHE   2           HD2      PHE   2  11.882  16.113  17.388
   14    HE1  PHE   2           HE1      PHE   2  10.111  16.018  22.026
   15    HE2  PHE   2           HE2      PHE   2   9.503  16.646  17.813
   16    HZ   PHE   2           HZ       PHE   2   8.609  16.609  20.132
   17    H    CYS   3           H        CYS   3  16.336  14.050  19.805
   18    HA   CYS   3           HA       CYS   3  18.718  15.262  18.642
   19    HB2  CYS   3           HB2      CYS   3  18.768  13.273  20.112
   20    HB3  CYS   3           HB3      CYS   3  17.814  12.381  18.922
   21    H    ASN   4           H        ASN   4  17.061  16.384  17.033
   22    HA   ASN   4           HA       ASN   4  16.459  14.823  14.602
   23    HB2  ASN   4           HB2      ASN   4  16.422  17.819  15.211
   24    HB3  ASN   4           HB3      ASN   4  15.941  17.085  13.697
   25   HD21  ASN   4          HD21      ASN   4  12.823  15.881  14.988
   26   HD22  ASN   4          HD22      ASN   4  14.157  15.273  14.020
   27    H    LEU   5           H        LEU   5  17.608  15.223  12.593
   28    HA   LEU   5           HA       LEU   5  20.196  16.639  12.845
   29    HB2  LEU   5           HB2      LEU   5  20.585  14.226  13.028
   30    HB3  LEU   5           HB3      LEU   5  19.892  13.965  11.443
   31    HG   LEU   5           HG       LEU   5  22.401  13.976  11.642
   32   HD11  LEU   5          HD11      LEU   5  21.428  16.082   9.679
   33   HD12  LEU   5          HD12      LEU   5  22.849  15.038   9.565
   34   HD13  LEU   5          HD13      LEU   5  21.236  14.323   9.463
   35   HD21  LEU   5          HD21      LEU   5  23.645  16.026  11.773
   36   HD22  LEU   5          HD22      LEU   5  22.177  17.012  11.786
   37   HD23  LEU   5          HD23      LEU   5  22.563  15.968  13.175
   38    H    ARG   6           H        ARG   6  18.382  15.144  10.029
   39    HA   ARG   6           HA       ARG   6  18.879  17.474   8.391
   40    HB2  ARG   6           HB2      ARG   6  16.861  15.217   8.235
   41    HB3  ARG   6           HB3      ARG   6  16.878  16.550   7.070
   42    HG2  ARG   6           HG2      ARG   6  19.207  16.032   6.451
   43    HG3  ARG   6           HG3      ARG   6  19.260  14.734   7.644
   44    HD2  ARG   6           HD2      ARG   6  18.851  13.792   5.434
   45    HD3  ARG   6           HD3      ARG   6  17.425  13.558   6.473
   46    HE   ARG   6           HE       ARG   6  17.021  15.969   5.065
   47   HH11  ARG   6          HH11      ARG   6  17.164  12.560   4.222
   48   HH12  ARG   6          HH12      ARG   6  16.188  12.856   2.773
   49   HH21  ARG   6          HH21      ARG   6  15.777  16.184   3.360
   50   HH22  ARG   6          HH22      ARG   6  15.397  14.807   2.334
   51    H    ARG   7           H        ARG   7  16.071  16.635  10.469
   52    HA   ARG   7           HA       ARG   7  14.577  19.043   9.777
   53    HB2  ARG   7           HB2      ARG   7  14.393  17.140  12.152
   54    HB3  ARG   7           HB3      ARG   7  13.329  18.517  11.910
   55    HG2  ARG   7           HG2      ARG   7  12.586  17.556   9.731
   56    HG3  ARG   7           HG3      ARG   7  13.609  16.133  10.045
   57    HD2  ARG   7           HD2      ARG   7  12.338  15.717  12.148
   58    HD3  ARG   7           HD3      ARG   7  11.310  17.106  11.812
   59    HE   ARG   7           HE       ARG   7  11.461  14.567  10.199
   60   HH11  ARG   7          HH11      ARG   7   9.514  17.412  11.021
   61   HH12  ARG   7          HH12      ARG   7   8.079  16.708  10.354
   62   HH21  ARG   7          HH21      ARG   7   9.514  13.713   9.476
   63   HH22  ARG   7          HH22      ARG   7   8.066  14.680   9.587
   64    H    CYS   8           H        CYS   8  17.015  18.320  12.239
   65    HA   CYS   8           HA       CYS   8  16.961  20.884  13.556
   66    HB2  CYS   8           HB2      CYS   8  18.034  18.898  14.581
   67    HB3  CYS   8           HB3      CYS   8  19.229  18.879  13.289
   68    H    GLU   9           H        GLU   9  18.910  19.693  10.743
   69    HA   GLU   9           HA       GLU   9  20.385  22.068  10.305
   70    HB2  GLU   9           HB2      GLU   9  19.452  19.865   8.437
   71    HB3  GLU   9           HB3      GLU   9  20.443  21.210   7.878
   72    HG2  GLU   9           HG2      GLU   9  22.225  20.677   9.377
   73    HG3  GLU   9           HG3      GLU   9  21.295  19.426  10.185
   74    H    LEU  10           H        LEU  10  17.007  21.399   9.404
   75    HA   LEU  10           HA       LEU  10  16.700  23.868   7.868
   76    HB2  LEU  10           HB2      LEU  10  14.608  22.161   9.266
   77    HB3  LEU  10           HB3      LEU  10  14.289  23.448   8.117
   78    HG   LEU  10           HG       LEU  10  15.725  20.839   7.495
   79   HD11  LEU  10          HD11      LEU  10  13.677  20.359   6.207
   80   HD12  LEU  10          HD12      LEU  10  13.334  20.541   7.933
   81   HD13  LEU  10          HD13      LEU  10  12.942  21.860   6.806
   82   HD21  LEU  10          HD21      LEU  10  16.538  22.623   6.010
   83   HD22  LEU  10          HD22      LEU  10  15.460  21.544   5.122
   84   HD23  LEU  10          HD23      LEU  10  14.860  23.125   5.670
   85    H    SER  11           H        SER  11  16.036  22.965  11.289
   86    HA   SER  11           HA       SER  11  15.030  25.518  12.114
   87    HB2  SER  11           HB2      SER  11  16.643  23.582  13.817
   88    HB3  SER  11           HB3      SER  11  15.464  24.785  14.370
   89    HG   SER  11           HG       SER  11  13.857  23.584  13.188
   90    H    CYS  12           H        CYS  12  18.355  24.236  12.001
   91    HA   CYS  12           HA       CYS  12  19.675  26.578  13.005
   92    HB2  CYS  12           HB2      CYS  12  20.611  24.255  11.284
   93    HB3  CYS  12           HB3      CYS  12  21.678  25.406  12.049
   94    H    ARG  13           H        ARG  13  18.681  25.663   9.695
   95    HA   ARG  13           HA       ARG  13  20.180  27.534   8.215
   96    HB2  ARG  13           HB2      ARG  13  18.612  25.653   7.412
   97    HB3  ARG  13           HB3      ARG  13  17.291  26.794   7.661
   98    HG2  ARG  13           HG2      ARG  13  18.480  28.356   6.012
   99    HG3  ARG  13           HG3      ARG  13  19.655  27.058   5.747
  100    HD2  ARG  13           HD2      ARG  13  17.973  26.963   3.996
  101    HD3  ARG  13           HD3      ARG  13  17.755  25.554   5.050
  102    HE   ARG  13           HE       ARG  13  16.162  27.885   5.844
  103   HH11  ARG  13          HH11      ARG  13  15.971  25.048   3.734
  104   HH12  ARG  13          HH12      ARG  13  14.215  25.122   3.782
  105   HH21  ARG  13          HH21      ARG  13  14.137  27.881   5.848
  106   HH22  ARG  13          HH22      ARG  13  13.178  26.824   4.820
  107    H    SER  14           H        SER  14  17.370  28.149  10.270
  108    HA   SER  14           HA       SER  14  16.664  30.733   9.373
  109    HB2  SER  14           HB2      SER  14  16.533  29.558  12.177
  110    HB3  SER  14           HB3      SER  14  15.669  31.006  11.620
  111    HG   SER  14           HG       SER  14  14.652  29.743  10.053
  112    H    LEU  15           H        LEU  15  19.564  29.866  11.199
  113    HA   LEU  15           HA       LEU  15  20.214  32.793  11.275
  114    HB2  LEU  15           HB2      LEU  15  21.094  30.524  13.086
  115    HB3  LEU  15           HB3      LEU  15  21.837  32.120  13.109
  116    HG   LEU  15           HG       LEU  15  18.891  31.590  13.652
  117   HD11  LEU  15          HD11      LEU  15  21.187  32.153  15.598
  118   HD12  LEU  15          HD12      LEU  15  19.468  31.973  16.023
  119   HD13  LEU  15          HD13      LEU  15  20.363  30.592  15.386
  120   HD21  LEU  15          HD21      LEU  15  18.992  33.883  14.664
  121   HD22  LEU  15          HD22      LEU  15  20.623  34.082  13.995
  122   HD23  LEU  15          HD23      LEU  15  19.211  33.876  12.913
  123    H    GLY  16           H        GLY  16  20.620  30.440   9.233
  124    HA2  GLY  16           HA2      GLY  16  22.167  30.102   7.520
  125    HA3  GLY  16           HA3      GLY  16  23.243  31.302   8.241
  126    H    LEU  17           H        LEU  17  22.121  28.690  10.247
  127    HA   LEU  17           HA       LEU  17  24.866  27.571  10.468
  128    HB2  LEU  17           HB2      LEU  17  22.407  27.197  12.208
  129    HB3  LEU  17           HB3      LEU  17  24.030  26.667  12.610
  130    HG   LEU  17           HG       LEU  17  22.990  29.471  12.333
  131   HD11  LEU  17          HD11      LEU  17  23.757  28.114  14.918
  132   HD12  LEU  17          HD12      LEU  17  23.049  29.715  14.703
  133   HD13  LEU  17          HD13      LEU  17  22.077  28.294  14.322
  134   HD21  LEU  17          HD21      LEU  17  25.362  29.455  11.892
  135   HD22  LEU  17          HD22      LEU  17  25.120  30.109  13.517
  136   HD23  LEU  17          HD23      LEU  17  25.644  28.422  13.339
  137    H    LEU  18           H        LEU  18  24.814  25.221  11.103
  138    HA   LEU  18           HA       LEU  18  22.737  23.532   9.817
  139    HB2  LEU  18           HB2      LEU  18  25.747  23.134   9.638
  140    HB3  LEU  18           HB3      LEU  18  24.594  21.831   9.359
  141    HG   LEU  18           HG       LEU  18  24.699  24.398   7.732
  142   HD11  LEU  18          HD11      LEU  18  25.639  22.956   5.962
  143   HD12  LEU  18          HD12      LEU  18  26.692  22.976   7.385
  144   HD13  LEU  18          HD13      LEU  18  25.646  21.574   7.078
  145   HD21  LEU  18          HD21      LEU  18  22.438  23.395   7.682
  146   HD22  LEU  18          HD22      LEU  18  23.254  23.142   6.140
  147   HD23  LEU  18          HD23      LEU  18  23.142  21.805   7.295
  148    H    GLY  19           H        GLY  19  22.952  21.228  10.851
  149    HA2  GLY  19           HA2      GLY  19  23.055  21.691  13.822
  150    HA3  GLY  19           HA3      GLY  19  21.823  20.750  13.000
  151    H    LYS  20           H        LYS  20  23.769  20.103  15.177
  152    HA   LYS  20           HA       LYS  20  24.455  17.382  14.151
  153    HB2  LYS  20           HB2      LYS  20  26.240  19.152  15.881
  154    HB3  LYS  20           HB3      LYS  20  26.511  17.439  15.610
  155    HG2  LYS  20           HG2      LYS  20  26.571  19.544  13.398
  156    HG3  LYS  20           HG3      LYS  20  27.974  18.970  14.291
  157    HD2  LYS  20           HD2      LYS  20  27.524  16.644  13.506
  158    HD3  LYS  20           HD3      LYS  20  26.193  17.264  12.507
  159    HE2  LYS  20           HE2      LYS  20  27.757  18.673  11.235
  160    HE3  LYS  20           HE3      LYS  20  29.086  18.228  12.314
  161    HZ1  LYS  20           HZ1      LYS  20  27.641  16.328  10.561
  162    HZ2  LYS  20           HZ2      LYS  20  29.155  16.914  10.267
  163    HZ3  LYS  20           HZ3      LYS  20  28.872  15.938  11.556
  164    H    CYS  21           H        CYS  21  23.746  15.768  15.560
  165    HA   CYS  21           HA       CYS  21  22.346  16.613  18.005
  166    HB2  CYS  21           HB2      CYS  21  21.330  14.897  16.684
  167    HB3  CYS  21           HB3      CYS  21  22.777  13.877  16.807
  168    H    ILE  22           H        ILE  22  22.978  16.333  20.104
  169    HA   ILE  22           HA       ILE  22  25.842  15.680  20.614
  170    HB   ILE  22           HB       ILE  22  23.712  16.858  22.427
  171   HG12  ILE  22          HG12      ILE  22  24.123  18.450  20.663
  172   HG13  ILE  22          HG13      ILE  22  24.855  19.010  22.149
  173   HG21  ILE  22          HG21      ILE  22  25.684  17.551  23.832
  174   HG22  ILE  22          HG22      ILE  22  25.401  15.816  23.795
  175   HG23  ILE  22          HG23      ILE  22  26.714  16.515  22.825
  176   HD11  ILE  22          HD11      ILE  22  27.104  18.295  21.319
  177   HD12  ILE  22          HD12      ILE  22  26.347  17.761  19.797
  178   HD13  ILE  22          HD13      ILE  22  26.320  19.469  20.251
  179    H    GLY  23           H        GLY  23  22.628  14.403  21.234
  180    HA2  GLY  23           HA2      GLY  23  23.247  11.754  21.287
  181    HA3  GLY  23           HA3      GLY  23  23.482  12.214  22.977
  182    H    GLU  24           H        GLU  24  21.427  14.052  23.351
  183    HA   GLU  24           HA       GLU  24  18.889  12.560  22.739
  184    HB2  GLU  24           HB2      GLU  24  19.535  14.131  25.253
  185    HB3  GLU  24           HB3      GLU  24  18.040  13.270  24.918
  186    HG2  GLU  24           HG2      GLU  24  20.780  11.989  25.331
  187    HG3  GLU  24           HG3      GLU  24  19.495  12.102  26.521
  188    H    GLU  25           H        GLU  25  20.581  15.498  22.396
  189    HA   GLU  25           HA       GLU  25  18.211  16.908  21.318
  190    HB2  GLU  25           HB2      GLU  25  18.407  17.458  23.698
  191    HB3  GLU  25           HB3      GLU  25  20.096  17.932  23.485
  192    HG2  GLU  25           HG2      GLU  25  19.505  19.884  22.283
  193    HG3  GLU  25           HG3      GLU  25  17.889  19.303  21.923
  194    H    CYS  26           H        CYS  26  18.793  18.691  19.860
  195    HA   CYS  26           HA       CYS  26  21.450  18.310  18.587
  196    HB2  CYS  26           HB2      CYS  26  19.333  18.018  17.253
  197    HB3  CYS  26           HB3      CYS  26  19.027  19.739  17.501
  198    H    LYS  27           H        LYS  27  22.767  20.015  17.963
  199    HA   LYS  27           HA       LYS  27  22.142  22.754  18.949
  200    HB2  LYS  27           HB2      LYS  27  24.737  21.231  19.429
  201    HB3  LYS  27           HB3      LYS  27  24.674  23.004  19.388
  202    HG2  LYS  27           HG2      LYS  27  22.976  23.025  21.137
  203    HG3  LYS  27           HG3      LYS  27  23.033  21.243  21.229
  204    HD2  LYS  27           HD2      LYS  27  25.542  21.518  21.761
  205    HD3  LYS  27           HD3      LYS  27  25.194  23.230  22.034
  206    HE2  LYS  27           HE2      LYS  27  23.885  20.859  23.455
  207    HE3  LYS  27           HE3      LYS  27  25.174  21.863  24.126
  208    HZ1  LYS  27           HZ1      LYS  27  23.011  22.545  24.940
  209    HZ2  LYS  27           HZ2      LYS  27  23.687  23.754  24.073
  210    HZ3  LYS  27           HZ3      LYS  27  22.459  22.829  23.419
  211    H    CYS  28           H        CYS  28  22.681  24.365  17.623
  212    HA   CYS  28           HA       CYS  28  23.429  23.667  14.899
  213    HB2  CYS  28           HB2      CYS  28  22.767  26.274  16.248
  214    HB3  CYS  28           HB3      CYS  28  23.031  26.076  14.503
  215    H    VAL  29           H        VAL  29  25.021  24.831  13.674
  216    HA   VAL  29           HA       VAL  29  27.431  25.759  15.083
  217    HB   VAL  29           HB       VAL  29  28.893  24.298  13.723
  218   HG11  VAL  29          HG11      VAL  29  27.096  22.783  15.661
  219   HG12  VAL  29          HG12      VAL  29  28.762  22.381  15.202
  220   HG13  VAL  29          HG13      VAL  29  28.437  23.858  16.117
  221   HG21  VAL  29          HG21      VAL  29  26.411  22.577  13.279
  222   HG22  VAL  29          HG22      VAL  29  27.234  23.512  12.015
  223   HG23  VAL  29          HG23      VAL  29  28.078  22.186  12.826
  224    HA   PRO  30           HA       PRO  30  27.164  28.436  11.596
  225    HB2  PRO  30           HB2      PRO  30  29.152  30.183  12.164
  226    HB3  PRO  30           HB3      PRO  30  27.822  29.899  13.324
  227    HG2  PRO  30           HG2      PRO  30  30.584  28.627  13.331
  228    HG3  PRO  30           HG3      PRO  30  29.727  29.414  14.697
  229    HD2  PRO  30           HD2      PRO  30  29.715  26.703  14.281
  230    HD3  PRO  30           HD3      PRO  30  28.351  27.595  15.014
  231    H    HIS  31           H        HIS  31  30.043  26.612  11.793
  232    HA   HIS  31           HA       HIS  31  31.995  26.445  10.582
  233    HB2  HIS  31           HB2      HIS  31  30.058  26.394   8.250
  234    HB3  HIS  31           HB3      HIS  31  31.661  25.669   8.317
  235    HD2  HIS  31           HD2      HIS  31  28.207  24.657   8.473
  236    HE1  HIS  31           HE1      HIS  31  30.090  21.822  11.020
  237    HE2  HIS  31           HE2      HIS  31  28.001  22.301   9.696
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  12.043  15.726  23.994
    2    H2   ALA   1           H2       ALA   1  11.095  14.391  24.193
    3    H3   ALA   1           H3       ALA   1  10.405  15.816  23.782
    4    HA   ALA   1           HA       ALA   1  10.535  14.239  21.955
    5    HB1  ALA   1           HB1      ALA   1  12.195  16.764  21.545
    6    HB2  ALA   1           HB2      ALA   1  11.370  15.831  20.286
    7    HB3  ALA   1           HB3      ALA   1  10.415  16.686  21.510
    8    H    PHE   2           H        PHE   2  11.815  13.146  20.425
    9    HA   PHE   2           HA       PHE   2  14.486  12.231  21.297
   10    HB2  PHE   2           HB2      PHE   2  12.737  11.622  18.889
   11    HB3  PHE   2           HB3      PHE   2  14.311  10.918  19.169
   12    HD1  PHE   2           HD1      PHE   2  10.800  10.991  20.381
   13    HD2  PHE   2           HD2      PHE   2  14.668   9.125  20.757
   14    HE1  PHE   2           HE1      PHE   2   9.779   9.133  21.660
   15    HE2  PHE   2           HE2      PHE   2  13.630   7.254  22.016
   16    HZ   PHE   2           HZ       PHE   2  11.188   7.250  22.469
   17    H    CYS   3           H        CYS   3  16.336  12.310  19.701
   18    HA   CYS   3           HA       CYS   3  16.867  15.014  18.950
   19    HB2  CYS   3           HB2      CYS   3  18.404  12.939  19.641
   20    HB3  CYS   3           HB3      CYS   3  18.546  12.763  17.895
   21    H    ASN   4           H        ASN   4  17.609  15.780  16.778
   22    HA   ASN   4           HA       ASN   4  16.509  14.307  14.419
   23    HB2  ASN   4           HB2      ASN   4  16.302  17.286  15.076
   24    HB3  ASN   4           HB3      ASN   4  16.178  16.674  13.434
   25   HD21  ASN   4          HD21      ASN   4  14.548  14.667  13.278
   26   HD22  ASN   4          HD22      ASN   4  12.994  15.114  13.967
   27    H    LEU   5           H        LEU   5  17.570  15.136  12.355
   28    HA   LEU   5           HA       LEU   5  20.190  16.421  12.766
   29    HB2  LEU   5           HB2      LEU   5  20.369  13.836  12.588
   30    HB3  LEU   5           HB3      LEU   5  19.989  14.049  10.895
   31    HG   LEU   5           HG       LEU   5  22.330  13.855  11.176
   32   HD11  LEU   5          HD11      LEU   5  21.915  16.824  10.686
   33   HD12  LEU   5          HD12      LEU   5  23.219  15.792  10.093
   34   HD13  LEU   5          HD13      LEU   5  21.570  15.546   9.492
   35   HD21  LEU   5          HD21      LEU   5  23.725  15.326  12.510
   36   HD22  LEU   5          HD22      LEU   5  22.325  16.265  13.037
   37   HD23  LEU   5          HD23      LEU   5  22.500  14.568  13.546
   38    H    ARG   6           H        ARG   6  18.455  15.137   9.821
   39    HA   ARG   6           HA       ARG   6  18.928  17.508   8.303
   40    HB2  ARG   6           HB2      ARG   6  18.289  15.328   7.335
   41    HB3  ARG   6           HB3      ARG   6  16.704  15.424   8.086
   42    HG2  ARG   6           HG2      ARG   6  16.703  15.950   5.659
   43    HG3  ARG   6           HG3      ARG   6  16.011  17.224   6.649
   44    HD2  ARG   6           HD2      ARG   6  17.478  18.022   4.755
   45    HD3  ARG   6           HD3      ARG   6  17.897  18.654   6.343
   46    HE   ARG   6           HE       ARG   6  19.933  17.627   6.256
   47   HH11  ARG   6          HH11      ARG   6  18.010  16.036   3.680
   48   HH12  ARG   6          HH12      ARG   6  19.439  15.255   3.082
   49   HH21  ARG   6          HH21      ARG   6  21.579  16.357   5.420
   50   HH22  ARG   6          HH22      ARG   6  21.297  15.457   3.937
   51    H    ARG   7           H        ARG   7  16.088  16.642  10.262
   52    HA   ARG   7           HA       ARG   7  14.677  19.154   9.798
   53    HB2  ARG   7           HB2      ARG   7  14.407  17.026  11.943
   54    HB3  ARG   7           HB3      ARG   7  13.344  18.430  11.829
   55    HG2  ARG   7           HG2      ARG   7  12.636  17.740   9.560
   56    HG3  ARG   7           HG3      ARG   7  13.721  16.343   9.631
   57    HD2  ARG   7           HD2      ARG   7  12.500  15.464  11.581
   58    HD3  ARG   7           HD3      ARG   7  11.408  16.863  11.550
   59    HE   ARG   7           HE       ARG   7  11.130  15.852   9.012
   60   HH11  ARG   7          HH11      ARG   7  10.765  14.280  12.156
   61   HH12  ARG   7          HH12      ARG   7   9.613  13.145  11.478
   62   HH21  ARG   7          HH21      ARG   7   9.754  14.454   8.312
   63   HH22  ARG   7          HH22      ARG   7   8.970  13.286   9.375
   64    H    CYS   8           H        CYS   8  17.176  18.266  12.069
   65    HA   CYS   8           HA       CYS   8  16.977  20.674  13.721
   66    HB2  CYS   8           HB2      CYS   8  18.015  18.616  14.557
   67    HB3  CYS   8           HB3      CYS   8  19.203  18.657  13.269
   68    H    GLU   9           H        GLU   9  18.997  19.751  10.839
   69    HA   GLU   9           HA       GLU   9  20.356  22.236  10.523
   70    HB2  GLU   9           HB2      GLU   9  19.413  20.231   8.447
   71    HB3  GLU   9           HB3      GLU   9  20.501  21.566   8.112
   72    HG2  GLU   9           HG2      GLU   9  22.237  20.674   9.451
   73    HG3  GLU   9           HG3      GLU   9  21.192  19.442  10.157
   74    H    LEU  10           H        LEU  10  17.150  21.245   9.200
   75    HA   LEU  10           HA       LEU  10  16.621  23.629   7.748
   76    HB2  LEU  10           HB2      LEU  10  14.680  21.796   9.213
   77    HB3  LEU  10           HB3      LEU  10  14.199  23.048   8.077
   78    HG   LEU  10           HG       LEU  10  15.911  20.640   7.401
   79   HD11  LEU  10          HD11      LEU  10  13.932  19.824   6.198
   80   HD12  LEU  10          HD12      LEU  10  13.548  20.070   7.909
   81   HD13  LEU  10          HD13      LEU  10  13.013  21.256   6.704
   82   HD21  LEU  10          HD21      LEU  10  16.442  22.499   5.892
   83   HD22  LEU  10          HD22      LEU  10  15.513  21.267   5.042
   84   HD23  LEU  10          HD23      LEU  10  14.703  22.752   5.577
   85    H    SER  11           H        SER  11  16.038  22.928  11.177
   86    HA   SER  11           HA       SER  11  14.880  25.497  11.845
   87    HB2  SER  11           HB2      SER  11  14.813  23.404  13.274
   88    HB3  SER  11           HB3      SER  11  16.533  23.648  13.628
   89    HG   SER  11           HG       SER  11  14.297  25.198  14.333
   90    H    CYS  12           H        CYS  12  18.237  24.372  11.751
   91    HA   CYS  12           HA       CYS  12  19.434  26.756  12.789
   92    HB2  CYS  12           HB2      CYS  12  20.518  24.471  11.112
   93    HB3  CYS  12           HB3      CYS  12  21.481  25.753  11.784
   94    H    ARG  13           H        ARG  13  18.064  26.220   9.656
   95    HA   ARG  13           HA       ARG  13  19.538  28.027   8.008
   96    HB2  ARG  13           HB2      ARG  13  16.533  27.557   8.166
   97    HB3  ARG  13           HB3      ARG  13  17.336  28.456   6.896
   98    HG2  ARG  13           HG2      ARG  13  18.615  26.483   6.198
   99    HG3  ARG  13           HG3      ARG  13  17.861  25.515   7.465
  100    HD2  ARG  13           HD2      ARG  13  16.448  26.839   5.112
  101    HD3  ARG  13           HD3      ARG  13  16.807  25.114   5.291
  102    HE   ARG  13           HE       ARG  13  15.291  25.924   7.553
  103   HH11  ARG  13          HH11      ARG  13  14.733  25.187   4.120
  104   HH12  ARG  13          HH12      ARG  13  13.011  25.037   4.432
  105   HH21  ARG  13          HH21      ARG  13  13.067  25.514   7.745
  106   HH22  ARG  13          HH22      ARG  13  12.166  25.222   6.263
  107    H    SER  14           H        SER  14  17.418  28.709  10.733
  108    HA   SER  14           HA       SER  14  16.697  31.335  10.133
  109    HB2  SER  14           HB2      SER  14  15.924  29.894  12.060
  110    HB3  SER  14           HB3      SER  14  17.369  30.441  12.936
  111    HG   SER  14           HG       SER  14  15.234  32.013  11.867
  112    H    LEU  15           H        LEU  15  19.834  30.406  11.708
  113    HA   LEU  15           HA       LEU  15  20.898  33.059  10.843
  114    HB2  LEU  15           HB2      LEU  15  21.735  31.270  13.159
  115    HB3  LEU  15           HB3      LEU  15  22.609  32.697  12.612
  116    HG   LEU  15           HG       LEU  15  19.994  33.645  12.865
  117   HD11  LEU  15          HD11      LEU  15  20.614  31.861  15.254
  118   HD12  LEU  15          HD12      LEU  15  19.305  33.067  15.164
  119   HD13  LEU  15          HD13      LEU  15  19.276  31.653  14.103
  120   HD21  LEU  15          HD21      LEU  15  20.864  34.873  14.811
  121   HD22  LEU  15          HD22      LEU  15  22.247  33.749  14.905
  122   HD23  LEU  15          HD23      LEU  15  22.055  34.825  13.498
  123    H    GLY  16           H        GLY  16  20.644  30.490   9.251
  124    HA2  GLY  16           HA2      GLY  16  21.860  29.463   7.586
  125    HA3  GLY  16           HA3      GLY  16  23.083  30.719   7.786
  126    H    LEU  17           H        LEU  17  22.225  28.474  10.379
  127    HA   LEU  17           HA       LEU  17  25.017  27.471  10.477
  128    HB2  LEU  17           HB2      LEU  17  22.762  27.103  12.447
  129    HB3  LEU  17           HB3      LEU  17  24.453  26.733  12.719
  130    HG   LEU  17           HG       LEU  17  23.332  29.500  12.246
  131   HD11  LEU  17          HD11      LEU  17  23.505  29.939  14.604
  132   HD12  LEU  17          HD12      LEU  17  22.427  28.566  14.340
  133   HD13  LEU  17          HD13      LEU  17  24.096  28.302  14.921
  134   HD21  LEU  17          HD21      LEU  17  25.956  28.569  13.445
  135   HD22  LEU  17          HD22      LEU  17  25.773  29.216  11.792
  136   HD23  LEU  17          HD23      LEU  17  25.466  30.265  13.189
  137    H    LEU  18           H        LEU  18  25.218  25.162  11.224
  138    HA   LEU  18           HA       LEU  18  23.296  23.297   9.872
  139    HB2  LEU  18           HB2      LEU  18  26.308  23.124  10.194
  140    HB3  LEU  18           HB3      LEU  18  25.319  21.722   9.772
  141    HG   LEU  18           HG       LEU  18  25.206  24.277   8.122
  142   HD11  LEU  18          HD11      LEU  18  27.544  23.574   8.179
  143   HD12  LEU  18          HD12      LEU  18  27.067  21.914   7.777
  144   HD13  LEU  18          HD13      LEU  18  26.834  23.226   6.595
  145   HD21  LEU  18          HD21      LEU  18  24.481  22.715   6.345
  146   HD22  LEU  18          HD22      LEU  18  24.577  21.364   7.491
  147   HD23  LEU  18          HD23      LEU  18  23.383  22.664   7.727
  148    H    GLY  19           H        GLY  19  22.935  21.260  10.986
  149    HA2  GLY  19           HA2      GLY  19  22.944  21.683  13.959
  150    HA3  GLY  19           HA3      GLY  19  21.670  20.902  13.040
  151    H    LYS  20           H        LYS  20  23.853  20.167  15.246
  152    HA   LYS  20           HA       LYS  20  24.209  17.356  14.269
  153    HB2  LYS  20           HB2      LYS  20  26.353  19.081  15.572
  154    HB3  LYS  20           HB3      LYS  20  26.380  17.326  15.571
  155    HG2  LYS  20           HG2      LYS  20  27.738  17.763  13.818
  156    HG3  LYS  20           HG3      LYS  20  26.206  17.449  13.002
  157    HD2  LYS  20           HD2      LYS  20  25.908  19.846  12.567
  158    HD3  LYS  20           HD3      LYS  20  27.255  20.240  13.641
  159    HE2  LYS  20           HE2      LYS  20  27.944  20.453  11.319
  160    HE3  LYS  20           HE3      LYS  20  28.843  19.159  12.118
  161    HZ1  LYS  20           HZ1      LYS  20  28.028  18.571   9.858
  162    HZ2  LYS  20           HZ2      LYS  20  27.496  17.537  10.994
  163    HZ3  LYS  20           HZ3      LYS  20  26.474  18.674  10.381
  164    H    CYS  21           H        CYS  21  24.011  15.740  15.779
  165    HA   CYS  21           HA       CYS  21  22.403  16.481  18.145
  166    HB2  CYS  21           HB2      CYS  21  21.642  14.718  16.562
  167    HB3  CYS  21           HB3      CYS  21  23.050  13.753  17.017
  168    H    ILE  22           H        ILE  22  23.147  16.563  20.174
  169    HA   ILE  22           HA       ILE  22  25.960  16.099  20.759
  170    HB   ILE  22           HB       ILE  22  23.591  16.957  22.444
  171   HG12  ILE  22          HG12      ILE  22  25.950  18.662  21.564
  172   HG13  ILE  22          HG13      ILE  22  24.522  18.483  20.546
  173   HG21  ILE  22          HG21      ILE  22  25.280  17.672  24.155
  174   HG22  ILE  22          HG22      ILE  22  25.226  15.930  23.959
  175   HG23  ILE  22          HG23      ILE  22  26.542  16.860  23.210
  176   HD11  ILE  22          HD11      ILE  22  24.329  20.513  21.835
  177   HD12  ILE  22          HD12      ILE  22  23.077  19.365  22.347
  178   HD13  ILE  22          HD13      ILE  22  24.517  19.634  23.361
  179    H    GLY  23           H        GLY  23  22.925  14.575  21.832
  180    HA2  GLY  23           HA2      GLY  23  23.810  11.901  21.858
  181    HA3  GLY  23           HA3      GLY  23  24.071  12.536  23.492
  182    H    GLU  24           H        GLU  24  21.812  14.265  23.628
  183    HA   GLU  24           HA       GLU  24  19.400  12.511  23.301
  184    HB2  GLU  24           HB2      GLU  24  19.889  14.734  25.332
  185    HB3  GLU  24           HB3      GLU  24  18.462  13.730  25.180
  186    HG2  GLU  24           HG2      GLU  24  19.787  11.718  25.805
  187    HG3  GLU  24           HG3      GLU  24  21.220  12.751  25.991
  188    H    GLU  25           H        GLU  25  20.827  15.675  22.714
  189    HA   GLU  25           HA       GLU  25  18.371  16.668  21.331
  190    HB2  GLU  25           HB2      GLU  25  18.493  17.432  23.671
  191    HB3  GLU  25           HB3      GLU  25  20.134  17.994  23.426
  192    HG2  GLU  25           HG2      GLU  25  18.662  19.864  23.503
  193    HG3  GLU  25           HG3      GLU  25  19.326  19.746  21.878
  194    H    CYS  26           H        CYS  26  18.731  18.279  19.698
  195    HA   CYS  26           HA       CYS  26  21.514  18.354  18.614
  196    HB2  CYS  26           HB2      CYS  26  19.965  17.039  17.265
  197    HB3  CYS  26           HB3      CYS  26  18.874  18.416  17.124
  198    H    LYS  27           H        LYS  27  22.467  20.161  18.090
  199    HA   LYS  27           HA       LYS  27  21.048  22.776  18.141
  200    HB2  LYS  27           HB2      LYS  27  23.383  21.986  19.927
  201    HB3  LYS  27           HB3      LYS  27  23.003  23.666  19.534
  202    HG2  LYS  27           HG2      LYS  27  20.699  23.369  20.432
  203    HG3  LYS  27           HG3      LYS  27  21.131  21.721  20.942
  204    HD2  LYS  27           HD2      LYS  27  22.929  22.620  22.372
  205    HD3  LYS  27           HD3      LYS  27  22.536  24.276  21.851
  206    HE2  LYS  27           HE2      LYS  27  20.286  24.089  22.815
  207    HE3  LYS  27           HE3      LYS  27  20.587  22.397  23.249
  208    HZ1  LYS  27           HZ1      LYS  27  22.379  23.147  24.683
  209    HZ2  LYS  27           HZ2      LYS  27  22.080  24.718  24.343
  210    HZ3  LYS  27           HZ3      LYS  27  20.957  23.833  25.155
  211    H    CYS  28           H        CYS  28  22.259  24.533  17.364
  212    HA   CYS  28           HA       CYS  28  23.388  23.817  14.821
  213    HB2  CYS  28           HB2      CYS  28  22.861  26.503  16.101
  214    HB3  CYS  28           HB3      CYS  28  23.221  26.232  14.407
  215    H    VAL  29           H        VAL  29  25.265  24.919  13.801
  216    HA   VAL  29           HA       VAL  29  27.433  25.797  15.603
  217    HB   VAL  29           HB       VAL  29  29.126  24.410  14.619
  218   HG11  VAL  29          HG11      VAL  29  28.644  22.305  15.694
  219   HG12  VAL  29          HG12      VAL  29  27.986  23.623  16.675
  220   HG13  VAL  29          HG13      VAL  29  26.901  22.633  15.674
  221   HG21  VAL  29          HG21      VAL  29  28.205  23.901  12.394
  222   HG22  VAL  29          HG22      VAL  29  28.657  22.434  13.258
  223   HG23  VAL  29          HG23      VAL  29  26.951  22.892  13.145
  224    HA   PRO  30           HA       PRO  30  27.935  28.706  12.312
  225    HB2  PRO  30           HB2      PRO  30  30.152  30.048  13.089
  226    HB3  PRO  30           HB3      PRO  30  28.660  30.035  14.082
  227    HG2  PRO  30           HG2      PRO  30  31.122  28.278  14.400
  228    HG3  PRO  30           HG3      PRO  30  30.275  29.248  15.655
  229    HD2  PRO  30           HD2      PRO  30  29.794  26.576  15.279
  230    HD3  PRO  30           HD3      PRO  30  28.514  27.714  15.787
  231    H    HIS  31           H        HIS  31  30.253  26.213  12.641
  232    HA   HIS  31           HA       HIS  31  32.011  26.904  10.459
  233    HB2  HIS  31           HB2      HIS  31  31.439  24.143  11.597
  234    HB3  HIS  31           HB3      HIS  31  32.877  24.644  10.719
  235    HD2  HIS  31           HD2      HIS  31  31.687  24.110  14.161
  236    HE1  HIS  31           HE1      HIS  31  34.650  27.123  14.657
  237    HE2  HIS  31           HE2      HIS  31  33.182  25.467  15.886